{"Molecule":"(d)-limonene","moeGao_Abra_L":4.729,"moeGao_Abra_R":0.512,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.126,"moeGao_Abra_pi":0.33,"moe2D_BCUT_PEOE_0":-2.696,"moe2D_BCUT_PEOE_1":-0.00913,"moe2D_BCUT_PEOE_2":0.04606,"moe2D_BCUT_PEOE_3":2.639,"moe2D_BCUT_SLOGP_0":-2.554,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.1363,"moe2D_BCUT_SLOGP_3":2.784,"moe2D_BCUT_SMR_0":-2.427,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.2077,"moe2D_BCUT_SMR_3":2.912,"moe2D_GCUT_PEOE_0":-0.7881,"moe2D_GCUT_PEOE_1":-0.2273,"moe2D_GCUT_PEOE_2":-0.1139,"moe2D_GCUT_PEOE_3":2.451,"moe2D_GCUT_SLOGP_0":-0.6697,"moe2D_GCUT_SLOGP_1":-0.08693,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.598,"moe2D_GCUT_SMR_0":-0.5188,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.00948,"moe2D_GCUT_SMR_3":2.704,"moe2D_Kier1":8.1,"moe2D_Kier2":3.408,"moe2D_Kier3":2.286,"moe2D_KierA1":6.817,"moe2D_KierA2":2.807,"moe2D_KierA3":1.85,"moe2D_KierFlex":1.914,"moe2D_PEOE_PC.":0.543,"moe2D_PEOE_PC..1":-0.543,"moe2D_PEOE_RPC.":0.1053,"moe2D_PEOE_RPC..1":0.1831,"moe2D_PEOE_VSA.0":55.45,"moe2D_PEOE_VSA.1":12.8,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":63.6,"moe2D_PEOE_VSA.1.1":38.97,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6005,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3995,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":170.8,"moe2D_PEOE_VSA_NEG":102.6,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":68.25,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.141,"moe2D_Q_PC..1":-1.141,"moe2D_Q_RPC.":0.1315,"moe2D_Q_RPC..1":0.2629,"moe2D_Q_VSA_FHYD":0.7718,"moe2D_Q_VSA_FNEG":0.2282,"moe2D_Q_VSA_FPNEG":0.2282,"moe2D_Q_VSA_FPOL":0.2282,"moe2D_Q_VSA_FPOS":0.7718,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":131.8,"moe2D_Q_VSA_NEG":38.97,"moe2D_Q_VSA_PNEG":38.97,"moe2D_Q_VSA_POL":38.97,"moe2D_Q_VSA_POS":131.8,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.591,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":4.411,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":74.25,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":98.75,"moe2D_SlogP":3.309,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":4.411,"moe2D_SlogP_VSA5":6.371,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":17.64,"moe2D_SlogP_VSA8":56.61,"moe2D_SlogP_VSA9":98.75,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.344,"moe2D_VDistMa":6.306,"moe2D_Weight":136.2,"moe2D_a_IC":24.99,"moe2D_a_ICM":0.9612,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":26,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":16,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":28.27,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1,"moe2D_b_ar":0,"moe2D_b_count":26,"moe2D_b_double":2,"moe2D_b_heavy":10,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1,"moe2D_b_single":24,"moe2D_b_triple":0,"moe2D_balabanJ":2.281,"moe2D_bpol":17.49,"moe2D_chi0":7.56,"moe2D_chi0_C":7.56,"moe2D_chi0v":6.983,"moe2D_chi0v_C":6.983,"moe2D_chi1":4.698,"moe2D_chi1_C":4.698,"moe2D_chi1v":4.009,"moe2D_chi1v_C":4.009,"moeGao_chi2_C":4.264,"moeGao_chi2v_C":3.368,"moeGao_chi3c":0.7887,"moeGao_chi3c_C":0.7887,"moeGao_chi3cv":0.5526,"moeGao_chi3cv_C":0.5526,"moeGao_chi3p":3.003,"moeGao_chi3p_C":3.003,"moeGao_chi3pv":2.335,"moeGao_chi3pv_C":2.335,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.953,"moeGao_chi4ca_C":1.953,"moeGao_chi4cav":1.413,"moeGao_chi4cav_C":1.413,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.449,"moeGao_chi4pc_C":1.449,"moeGao_chi4pcv":1.009,"moeGao_chi4pcv_C":1.009,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.586,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":3.975,"moe2D_kS_dO":0,"moe2D_kS_dsCH":2.35,"moe2D_kS_dsN":0,"moe2D_kS_dssC":2.904,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.355,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":3.816,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.7673,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.604,"moe2D_logS":-3.005,"moe2D_mr":4.5,"moe2D_opr_brigid":7,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":170.8,"moe2D_vdw_vol":232.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":158.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":120,"moe2D_weinerPol":11,"moe2D_zagreb":46}
{"Molecule":"111-trichloro-2-methyl-2-propanolol(chlorobytanol)","moeGao_Abra_L":4.226,"moeGao_Abra_R":0.527,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.452,"moeGao_Abra_pi":0.712,"moe2D_BCUT_PEOE_0":-2.556,"moe2D_BCUT_PEOE_1":-0.08028,"moe2D_BCUT_PEOE_2":0.05082,"moe2D_BCUT_PEOE_3":2.615,"moe2D_BCUT_SLOGP_0":-2.557,"moe2D_BCUT_SLOGP_1":0.06489,"moe2D_BCUT_SLOGP_2":0.6895,"moe2D_BCUT_SLOGP_3":2.681,"moe2D_BCUT_SMR_0":-2.334,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.5853,"moe2D_BCUT_SMR_3":2.84,"moe2D_GCUT_PEOE_0":-0.7825,"moe2D_GCUT_PEOE_1":-0.2403,"moe2D_GCUT_PEOE_2":-0.1342,"moe2D_GCUT_PEOE_3":2.056,"moe2D_GCUT_SLOGP_0":-0.8724,"moe2D_GCUT_SLOGP_1":-0.08735,"moe2D_GCUT_SLOGP_2":0.3012,"moe2D_GCUT_SLOGP_3":2.188,"moe2D_GCUT_SMR_0":-0.5229,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.4253,"moe2D_GCUT_SMR_3":2.297,"moe2D_Kier1":8,"moe2D_Kier2":1.75,"moe2D_Kier3":2.222,"moe2D_KierA1":13.39,"moe2D_KierA2":3.154,"moe2D_KierA3":4.267,"moe2D_KierFlex":5.278,"moe2D_PEOE_PC.":0.6904,"moe2D_PEOE_PC..1":-0.6904,"moe2D_PEOE_RPC.":0.316,"moe2D_PEOE_RPC..1":0.5575,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8935,"moe2D_PEOE_VSA_FNEG":0.7886,"moe2D_PEOE_VSA_FPNEG":0.04571,"moe2D_PEOE_VSA_FPOL":0.1065,"moe2D_PEOE_VSA_FPOS":0.2114,"moe2D_PEOE_VSA_FPPOS":0.06076,"moe2D_PEOE_VSA_HYD":151.8,"moe2D_PEOE_VSA_NEG":134,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":35.92,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.55,"moe2D_Q_PC..1":-1.55,"moe2D_Q_RPC.":0.5613,"moe2D_Q_RPC..1":0.4387,"moe2D_Q_VSA_FHYD":0.3713,"moe2D_Q_VSA_FNEG":0.568,"moe2D_Q_VSA_FPNEG":0.568,"moe2D_Q_VSA_FPOL":0.6287,"moe2D_Q_VSA_FPOS":0.432,"moe2D_Q_VSA_FPPOS":0.06076,"moe2D_Q_VSA_HYD":63.09,"moe2D_Q_VSA_NEG":96.51,"moe2D_Q_VSA_PNEG":96.51,"moe2D_Q_VSA_POL":106.8,"moe2D_Q_VSA_POS":73.41,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.655,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":184.1,"moe2D_SlogP":2.547,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":184.1,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.55,"moe2D_VDistMa":5.706,"moe2D_Weight":177.5,"moe2D_a_IC":26.2,"moe2D_a_ICM":1.746,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":15,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":19.05,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1429,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":4.02,"moe2D_bpol":8.912,"moe2D_chi0":7,"moe2D_chi0_C":3,"moe2D_chi0v":6.849,"moe2D_chi0v_C":3,"moe2D_chi1":3.25,"moe2D_chi1_C":1.25,"moe2D_chi1v":3.174,"moe2D_chi1v_C":1.25,"moeGao_chi2_C":1,"moeGao_chi2v_C":1,"moeGao_chi3c":2.5,"moeGao_chi3c_C":0.25,"moeGao_chi3cv":2.39,"moeGao_chi3cv_C":0.25,"moeGao_chi3p":2.25,"moeGao_chi3p_C":0,"moeGao_chi3pv":2.081,"moeGao_chi3pv_C":0,"moeGao_chi4c":0.5,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.4763,"moeGao_chi4cv_C":0,"moeGao_chi4pc":4.5,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":3.971,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.056,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.861,"moe2D_kS_sCl":15.87,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.958,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-2.856,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.973,"moe2D_logS":-2.45,"moe2D_mr":3.554,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":169.9,"moe2D_vdw_vol":168,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":147.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":58,"moe2D_weinerPol":9,"moe2D_zagreb":38}
{"Molecule":"111-trichloroethane","moeGao_Abra_L":2.79,"moeGao_Abra_R":0.383,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.101,"moeGao_Abra_pi":0.469,"moe2D_BCUT_PEOE_0":-2.262,"moe2D_BCUT_PEOE_1":-0.08367,"moe2D_BCUT_PEOE_2":0.02702,"moe2D_BCUT_PEOE_3":2.35,"moe2D_BCUT_SLOGP_0":-2.066,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.6895,"moe2D_BCUT_SLOGP_3":2.596,"moe2D_BCUT_SMR_0":-2.027,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.5853,"moe2D_BCUT_SMR_3":2.611,"moe2D_GCUT_PEOE_0":-0.6887,"moe2D_GCUT_PEOE_1":-0.2437,"moe2D_GCUT_PEOE_2":-0.133,"moe2D_GCUT_PEOE_3":1.559,"moe2D_GCUT_SLOGP_0":-0.5478,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.5295,"moe2D_GCUT_SLOGP_3":1.871,"moe2D_GCUT_SMR_0":-0.4864,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.4253,"moe2D_GCUT_SMR_3":1.858,"moe2D_Kier1":5,"moe2D_Kier2":1,"moe2D_Kier3":0,"moe2D_KierA1":11.47,"moe2D_KierA2":2.844,"moe2D_KierA3":0,"moe2D_KierFlex":6.523,"moe2D_PEOE_PC.":0.269,"moe2D_PEOE_PC..1":-0.269,"moe2D_PEOE_RPC.":0.6986,"moe2D_PEOE_RPC..1":0.3111,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8936,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1064,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":120.3,"moe2D_PEOE_VSA_NEG":107.5,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":12.8,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.87,"moe2D_Q_PC..1":-0.87,"moe2D_Q_RPC.":1,"moe2D_Q_RPC..1":0.3333,"moe2D_Q_VSA_FHYD":0.2622,"moe2D_Q_VSA_FNEG":0.7378,"moe2D_Q_VSA_FPNEG":0.7378,"moe2D_Q_VSA_FPOL":0.7378,"moe2D_Q_VSA_FPOS":0.2622,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":31.54,"moe2D_Q_VSA_NEG":88.75,"moe2D_Q_VSA_PNEG":88.75,"moe2D_Q_VSA_POL":88.75,"moe2D_Q_VSA_POS":31.54,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":2.593,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":150.8,"moe2D_SlogP":2.796,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":150.8,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":0.971,"moe2D_VDistMa":4.25,"moe2D_Weight":133.4,"moe2D_a_IC":12.49,"moe2D_a_ICM":1.561,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":8,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":12.06,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":7,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":3.024,"moe2D_bpol":4.54,"moe2D_chi0":4.5,"moe2D_chi0_C":1.5,"moe2D_chi0v":4.902,"moe2D_chi0v_C":1.5,"moe2D_chi1":2,"moe2D_chi1_C":0.5,"moe2D_chi1v":2.201,"moe2D_chi1v_C":0.5,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":2,"moeGao_chi3c_C":0,"moeGao_chi3cv":2.658,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0.5,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.7289,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.206,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.484,"moe2D_kS_sCl":15.18,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-1.083,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.139,"moe2D_logS":-2.326,"moe2D_mr":2.471,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":120.3,"moe2D_vdw_vol":110.6,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":118.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":16,"moe2D_weinerPol":0,"moe2D_zagreb":20}
{"Molecule":"1122-tetrachloroethane","moeGao_Abra_L":3.636,"moeGao_Abra_R":0.496,"moeGao_Abra_acidity":0.168,"moeGao_Abra_basicity":0.078,"moeGao_Abra_pi":0.577,"moe2D_BCUT_PEOE_0":-2.235,"moe2D_BCUT_PEOE_1":-0.1018,"moe2D_BCUT_PEOE_2":0.01105,"moe2D_BCUT_PEOE_3":2.377,"moe2D_BCUT_SLOGP_0":-2,"moe2D_BCUT_SLOGP_1":0.3034,"moe2D_BCUT_SLOGP_2":0.6895,"moe2D_BCUT_SLOGP_3":2.639,"moe2D_BCUT_SMR_0":-1.986,"moe2D_BCUT_SMR_1":0.2609,"moe2D_BCUT_SMR_2":0.5853,"moe2D_BCUT_SMR_3":2.638,"moe2D_GCUT_PEOE_0":-0.6478,"moe2D_GCUT_PEOE_1":-0.2618,"moe2D_GCUT_PEOE_2":-0.1464,"moe2D_GCUT_PEOE_3":1.577,"moe2D_GCUT_SLOGP_0":-0.4759,"moe2D_GCUT_SLOGP_1":0.1298,"moe2D_GCUT_SLOGP_2":0.5295,"moe2D_GCUT_SLOGP_3":1.924,"moe2D_GCUT_SMR_0":-0.4448,"moe2D_GCUT_SMR_1":0.0971,"moe2D_GCUT_SMR_2":0.4253,"moe2D_GCUT_SMR_3":1.897,"moe2D_Kier1":6,"moe2D_Kier2":2.222,"moe2D_Kier3":3,"moe2D_KierA1":14.57,"moe2D_KierA2":6.428,"moe2D_KierA3":10.22,"moe2D_KierFlex":15.61,"moe2D_PEOE_PC.":0.407,"moe2D_PEOE_PC..1":-0.407,"moe2D_PEOE_RPC.":0.3376,"moe2D_PEOE_RPC..1":0.25,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":6.555,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":118.3,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8869,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1131,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":133.4,"moe2D_PEOE_VSA_NEG":118.3,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":15.09,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.16,"moe2D_Q_PC..1":-1.16,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":0.25,"moe2D_Q_VSA_FHYD":0.06394,"moe2D_Q_VSA_FNEG":0.8869,"moe2D_Q_VSA_FPNEG":0.8869,"moe2D_Q_VSA_FPOL":0.9361,"moe2D_Q_VSA_FPOS":0.1131,"moe2D_Q_VSA_FPPOS":0.04913,"moe2D_Q_VSA_HYD":8.531,"moe2D_Q_VSA_NEG":118.3,"moe2D_Q_VSA_PNEG":118.3,"moe2D_Q_VSA_POL":124.9,"moe2D_Q_VSA_POS":15.09,"moe2D_Q_VSA_PPOS":6.555,"moe2D_SMR":3.091,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.08,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":156.6,"moe2D_SlogP":3.434,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":10.08,"moe2D_SlogP_VSA9":156.6,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.566,"moe2D_VDistMa":4.788,"moe2D_Weight":167.8,"moe2D_a_IC":12,"moe2D_a_ICM":1.5,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":8,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":4,"moe2D_a_nF":0,"moe2D_a_nH":2,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":13.57,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.2,"moe2D_b_ar":0,"moe2D_b_count":7,"moe2D_b_double":0,"moe2D_b_heavy":5,"moe2D_b_rotN":1,"moe2D_b_rotR":0.2,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.993,"moe2D_bpol":3.866,"moe2D_chi0":5.155,"moe2D_chi0_C":1.155,"moe2D_chi0v":5.69,"moe2D_chi0v_C":1.155,"moe2D_chi1":2.643,"moe2D_chi1_C":0.3333,"moe2D_chi1v":2.952,"moe2D_chi1v_C":0.3333,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.6667,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.8571,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.333,"moeGao_chi3p_C":0,"moeGao_chi3pv":1.714,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.333,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.944,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.326,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":20.46,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-1.346,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.495,"moe2D_logS":-2.413,"moe2D_mr":2.928,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":133.4,"moe2D_vdw_vol":126.6,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":118.3,"moe2D_vsa_other":13.66,"moe2D_vsa_pol":0,"moe2D_weinerPath":29,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"112-trichloroethane","moeGao_Abra_L":3.078,"moeGao_Abra_R":0.401,"moeGao_Abra_acidity":0.099,"moeGao_Abra_basicity":0.081,"moeGao_Abra_pi":0.509,"moe2D_BCUT_PEOE_0":-2.26,"moe2D_BCUT_PEOE_1":-0.09102,"moe2D_BCUT_PEOE_2":0.03334,"moe2D_BCUT_PEOE_3":2.35,"moe2D_BCUT_SLOGP_0":-2.193,"moe2D_BCUT_SLOGP_1":0.1842,"moe2D_BCUT_SLOGP_2":0.622,"moe2D_BCUT_SLOGP_3":2.501,"moe2D_BCUT_SMR_0":-2.014,"moe2D_BCUT_SMR_1":0.1584,"moe2D_BCUT_SMR_2":0.5318,"moe2D_BCUT_SMR_3":2.612,"moe2D_GCUT_PEOE_0":-0.6792,"moe2D_GCUT_PEOE_1":-0.2505,"moe2D_GCUT_PEOE_2":-0.1261,"moe2D_GCUT_PEOE_3":1.559,"moe2D_GCUT_SLOGP_0":-0.7475,"moe2D_GCUT_SLOGP_1":0.0162,"moe2D_GCUT_SLOGP_2":0.451,"moe2D_GCUT_SLOGP_3":1.805,"moe2D_GCUT_SMR_0":-0.4622,"moe2D_GCUT_SMR_1":-0.00418,"moe2D_GCUT_SMR_2":0.3709,"moe2D_GCUT_SMR_3":1.858,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":11.47,"moe2D_KierA2":6.4,"moe2D_KierA3":15.22,"moe2D_KierFlex":14.68,"moe2D_PEOE_PC.":0.3294,"moe2D_PEOE_PC..1":-0.3294,"moe2D_PEOE_RPC.":0.3677,"moe2D_PEOE_RPC..1":0.3725,"moe2D_PEOE_VSA.0":8.531,"moe2D_PEOE_VSA.1":15.28,"moe2D_PEOE_VSA.2":3.277,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":88.75,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7662,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2338,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":115.8,"moe2D_PEOE_VSA_NEG":88.75,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":27.09,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.87,"moe2D_Q_PC..1":-0.87,"moe2D_Q_RPC.":0.6667,"moe2D_Q_RPC..1":0.3333,"moe2D_Q_VSA_FHYD":0.1105,"moe2D_Q_VSA_FNEG":0.7662,"moe2D_Q_VSA_FPNEG":0.7662,"moe2D_Q_VSA_FPOL":0.8895,"moe2D_Q_VSA_FPOS":0.2338,"moe2D_Q_VSA_FPPOS":0.1234,"moe2D_Q_VSA_HYD":12.8,"moe2D_Q_VSA_NEG":88.75,"moe2D_Q_VSA_PNEG":88.75,"moe2D_Q_VSA_POL":103,"moe2D_Q_VSA_POS":27.09,"moe2D_Q_VSA_PPOS":14.29,"moe2D_SMR":2.618,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.041,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":19.18,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":2.449,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":19.18,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":5.041,"moe2D_SlogP_VSA9":117.4,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":133.4,"moe2D_a_IC":12.49,"moe2D_a_ICM":1.561,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":8,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":12.06,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":7,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.54,"moe2D_bpol":4.54,"moe2D_chi0":4.284,"moe2D_chi0_C":1.284,"moe2D_chi0v":4.686,"moe2D_chi0v_C":1.284,"moe2D_chi1":2.27,"moe2D_chi1_C":0.4082,"moe2D_chi1v":2.519,"moe2D_chi1v_C":0.4082,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.5249,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0,"moeGao_chi3pv":1.05,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.5952,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.206,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":15.26,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.3086,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-0.4059,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.946,"moe2D_logS":-1.767,"moe2D_mr":2.527,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":115.8,"moe2D_vdw_vol":110.6,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":106.9,"moe2D_vsa_other":6.831,"moe2D_vsa_pol":0,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"11-dichloroethylene(vinylidene","moeGao_Abra_L":2.225,"moeGao_Abra_R":0.412,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.076,"moeGao_Abra_pi":0.407,"moe2D_BCUT_PEOE_0":-1.806,"moe2D_BCUT_PEOE_1":-0.4158,"moe2D_BCUT_PEOE_2":0.4063,"moe2D_BCUT_PEOE_3":1.82,"moe2D_BCUT_SLOGP_0":-1.563,"moe2D_BCUT_SLOGP_1":-0.1697,"moe2D_BCUT_SLOGP_2":0.9288,"moe2D_BCUT_SLOGP_3":2.142,"moe2D_BCUT_SMR_0":-1.465,"moe2D_BCUT_SMR_1":-0.1707,"moe2D_BCUT_SMR_2":0.8738,"moe2D_BCUT_SMR_3":2.211,"moe2D_GCUT_PEOE_0":-0.6715,"moe2D_GCUT_PEOE_1":-0.3176,"moe2D_GCUT_PEOE_2":0.01823,"moe2D_GCUT_PEOE_3":1.234,"moe2D_GCUT_SLOGP_0":-0.4774,"moe2D_GCUT_SLOGP_1":-0.07778,"moe2D_GCUT_SLOGP_2":0.5574,"moe2D_GCUT_SLOGP_3":1.575,"moe2D_GCUT_SMR_0":-0.3591,"moe2D_GCUT_SMR_1":-0.06568,"moe2D_GCUT_SMR_2":0.4898,"moe2D_GCUT_SMR_3":1.622,"moe2D_Kier1":4,"moe2D_Kier2":1.333,"moe2D_Kier3":0,"moe2D_KierA1":6.893,"moe2D_KierA2":2.853,"moe2D_KierA3":0,"moe2D_KierFlex":4.916,"moe2D_PEOE_PC.":0.2111,"moe2D_PEOE_PC..1":-0.2111,"moe2D_PEOE_RPC.":0.4714,"moe2D_PEOE_RPC..1":0.3368,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":15.36,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":81.47,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8413,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1587,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":96.83,"moe2D_PEOE_VSA_NEG":81.47,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":15.36,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.58,"moe2D_Q_PC..1":-0.58,"moe2D_Q_RPC.":0.4828,"moe2D_Q_RPC..1":0.5172,"moe2D_Q_VSA_FHYD":0.6991,"moe2D_Q_VSA_FNEG":0.8413,"moe2D_Q_VSA_FPNEG":0.2303,"moe2D_Q_VSA_FPOL":0.3009,"moe2D_Q_VSA_FPOS":0.1587,"moe2D_Q_VSA_FPPOS":0.07055,"moe2D_Q_VSA_HYD":67.69,"moe2D_Q_VSA_NEG":81.47,"moe2D_Q_VSA_PNEG":22.3,"moe2D_Q_VSA_POL":29.13,"moe2D_Q_VSA_POS":15.36,"moe2D_Q_VSA_PPOS":6.831,"moe2D_SMR":2.164,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":3.816,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":110.4,"moe2D_SlogP":2.044,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":3.816,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":110.4,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1,"moe2D_VDistMa":3.503,"moe2D_Weight":96.94,"moe2D_a_IC":9.51,"moe2D_a_ICM":1.585,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":6,"moe2D_a_don":0,"moe2D_a_heavy":4,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":2,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":9.214,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":5,"moe2D_b_double":1,"moe2D_b_heavy":3,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":4,"moe2D_b_triple":0,"moe2D_balabanJ":2.591,"moe2D_bpol":3.026,"moe2D_chi0":3.577,"moe2D_chi0_C":1.577,"moe2D_chi0v":3.475,"moe2D_chi0v_C":1.207,"moe2D_chi1":1.732,"moe2D_chi1_C":0.5774,"moe2D_chi1v":1.487,"moe2D_chi1v_C":0.3536,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.4546,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.092,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":3.086,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.1111,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":9.691,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.172,"moe2D_logS":-1.739,"moe2D_mr":2.02,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":96.83,"moe2D_vdw_vol":88.76,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":88.57,"moe2D_vsa_other":6.831,"moe2D_vsa_pol":0,"moe2D_weinerPath":9,"moe2D_weinerPol":0,"moe2D_zagreb":12}
{"Molecule":"1234-tetrachlorobenzene","moeGao_Abra_L":5.945,"moeGao_Abra_R":1.196,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.093,"moeGao_Abra_pi":0.904,"moe2D_BCUT_PEOE_0":-2.089,"moe2D_BCUT_PEOE_1":-0.6863,"moe2D_BCUT_PEOE_2":0.6595,"moe2D_BCUT_PEOE_3":2.13,"moe2D_BCUT_SLOGP_0":-1.857,"moe2D_BCUT_SLOGP_1":-0.2803,"moe2D_BCUT_SLOGP_2":1.165,"moe2D_BCUT_SLOGP_3":2.397,"moe2D_BCUT_SMR_0":-1.752,"moe2D_BCUT_SMR_1":-0.281,"moe2D_BCUT_SMR_2":1.124,"moe2D_BCUT_SMR_3":2.478,"moe2D_GCUT_PEOE_0":-0.7036,"moe2D_GCUT_PEOE_1":-0.4145,"moe2D_GCUT_PEOE_2":0.02298,"moe2D_GCUT_PEOE_3":1.844,"moe2D_GCUT_SLOGP_0":-0.5164,"moe2D_GCUT_SLOGP_1":-0.0806,"moe2D_GCUT_SLOGP_2":0.6141,"moe2D_GCUT_SLOGP_3":2.138,"moe2D_GCUT_SMR_0":-0.3839,"moe2D_GCUT_SMR_1":-0.05107,"moe2D_GCUT_SMR_2":0.5486,"moe2D_GCUT_SMR_3":2.203,"moe2D_Kier1":8.1,"moe2D_Kier2":2.939,"moe2D_Kier3":1.55,"moe2D_KierA1":11.14,"moe2D_KierA2":4.191,"moe2D_KierA3":2.276,"moe2D_KierFlex":4.669,"moe2D_PEOE_PC.":0.4059,"moe2D_PEOE_PC..1":-0.4059,"moe2D_PEOE_RPC.":0.1944,"moe2D_PEOE_RPC..1":0.202,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":26.61,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":118.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.843,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.157,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":169.4,"moe2D_PEOE_VSA_NEG":142.8,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":26.61,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.008,"moe2D_Q_PC..1":-1.008,"moe2D_Q_RPC.":0.1756,"moe2D_Q_RPC..1":0.1756,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.843,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.157,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":169.4,"moe2D_Q_VSA_NEG":142.8,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":26.61,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.648,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":14,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":156.6,"moe2D_SlogP":4.3,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":14,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":156.6,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.04,"moe2D_VDistMa":6.354,"moe2D_Weight":215.9,"moe2D_a_IC":17.51,"moe2D_a_ICM":1.459,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":4,"moe2D_a_nF":0,"moe2D_a_nH":2,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":20.61,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.573,"moe2D_bpol":3.866,"moe2D_chi0":7.724,"moe2D_chi0_C":3.724,"moe2D_chi0v":7.69,"moe2D_chi0v_C":3.155,"moe2D_chi1":4.626,"moe2D_chi1_C":2.316,"moe2D_chi1v":3.928,"moe2D_chi1v_C":1.661,"moeGao_chi2_C":1.434,"moeGao_chi2v_C":0.872,"moeGao_chi3c":0.8563,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.6108,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.702,"moeGao_chi3p_C":0.8833,"moeGao_chi3pv":2.693,"moeGao_chi3pv_C":0.4568,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.088,"moeGao_chi4ca_C":0.542,"moeGao_chi4cav":1.244,"moeGao_chi4cav_C":0.2388,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.341,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.672,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.12,"moe2D_diameter":5,"moe2D_kS_aaCH":3.191,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.429,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":22.49,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.268,"moe2D_logS":-4.322,"moe2D_mr":4.507,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":169.4,"moe2D_vdw_vol":192.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":168,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":109,"moe2D_weinerPol":14,"moe2D_zagreb":48}
{"Molecule":"123-trichlorobenzene","moeGao_Abra_L":5.228,"moeGao_Abra_R":1.061,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.131,"moeGao_Abra_pi":0.852,"moe2D_BCUT_PEOE_0":-2.104,"moe2D_BCUT_PEOE_1":-0.6803,"moe2D_BCUT_PEOE_2":0.6732,"moe2D_BCUT_PEOE_3":2.116,"moe2D_BCUT_SLOGP_0":-1.885,"moe2D_BCUT_SLOGP_1":-0.3758,"moe2D_BCUT_SLOGP_2":1.061,"moe2D_BCUT_SLOGP_3":2.37,"moe2D_BCUT_SMR_0":-1.771,"moe2D_BCUT_SMR_1":-0.3626,"moe2D_BCUT_SMR_2":1.054,"moe2D_BCUT_SMR_3":2.462,"moe2D_GCUT_PEOE_0":-0.7243,"moe2D_GCUT_PEOE_1":-0.4126,"moe2D_GCUT_PEOE_2":0.04755,"moe2D_GCUT_PEOE_3":1.832,"moe2D_GCUT_SLOGP_0":-0.5324,"moe2D_GCUT_SLOGP_1":-0.1535,"moe2D_GCUT_SLOGP_2":0.4866,"moe2D_GCUT_SLOGP_3":2.102,"moe2D_GCUT_SMR_0":-0.3934,"moe2D_GCUT_SMR_1":-0.1172,"moe2D_GCUT_SMR_2":0.4607,"moe2D_GCUT_SMR_3":2.181,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.469,"moe2D_KierA1":8.729,"moe2D_KierA2":3.433,"moe2D_KierA3":1.901,"moe2D_KierFlex":3.33,"moe2D_PEOE_PC.":0.3872,"moe2D_PEOE_PC..1":-0.3872,"moe2D_PEOE_RPC.":0.2002,"moe2D_PEOE_RPC..1":0.2118,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":26.36,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":101,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8265,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1735,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":151.9,"moe2D_PEOE_VSA_NEG":125.5,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":26.36,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.981,"moe2D_Q_PC..1":-0.981,"moe2D_Q_RPC.":0.1804,"moe2D_Q_RPC..1":0.1804,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.8265,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.1735,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":151.9,"moe2D_Q_VSA_NEG":125.5,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":26.36,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.147,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.5,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":3.647,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":10.5,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":117.4,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":1.903,"moe2D_VDistMa":6.037,"moe2D_Weight":181.4,"moe2D_a_IC":18,"moe2D_a_ICM":1.5,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":19.1,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.48,"moe2D_bpol":4.54,"moe2D_chi0":6.853,"moe2D_chi0_C":3.853,"moe2D_chi0v":6.634,"moe2D_chi0v_C":3.232,"moe2D_chi1":4.215,"moe2D_chi1_C":2.483,"moe2D_chi1v":3.445,"moe2D_chi1v_C":1.744,"moeGao_chi2_C":1.595,"moeGao_chi2v_C":0.9395,"moeGao_chi3c":0.6639,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.4691,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.114,"moeGao_chi3p_C":1.014,"moeGao_chi3pv":2.135,"moeGao_chi3pv_C":0.5035,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.848,"moeGao_chi4ca_C":0.6422,"moeGao_chi4cav":1.001,"moeGao_chi4cav_C":0.2693,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.734,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.209,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.027,"moe2D_diameter":4,"moe2D_kS_aaCH":5.127,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.397,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":16.81,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.678,"moe2D_logS":-3.588,"moe2D_mr":4.096,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":151.9,"moe2D_vdw_vol":176.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":149.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":82,"moe2D_weinerPol":11,"moe2D_zagreb":42}
{"Molecule":"123-trichloropropane","moeGao_Abra_L":3.742,"moeGao_Abra_R":0.43,"moeGao_Abra_acidity":0.049,"moeGao_Abra_basicity":0.108,"moeGao_Abra_pi":0.559,"moe2D_BCUT_PEOE_0":-2.422,"moe2D_BCUT_PEOE_1":-0.06781,"moe2D_BCUT_PEOE_2":0.04442,"moe2D_BCUT_PEOE_3":2.479,"moe2D_BCUT_SLOGP_0":-2.388,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.4947,"moe2D_BCUT_SLOGP_3":2.567,"moe2D_BCUT_SMR_0":-2.177,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.429,"moe2D_BCUT_SMR_3":2.735,"moe2D_GCUT_PEOE_0":-0.7137,"moe2D_GCUT_PEOE_1":-0.2278,"moe2D_GCUT_PEOE_2":-0.1156,"moe2D_GCUT_PEOE_3":1.793,"moe2D_GCUT_SLOGP_0":-0.7626,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.3129,"moe2D_GCUT_SLOGP_3":1.962,"moe2D_GCUT_SMR_0":-0.4837,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.2736,"moe2D_GCUT_SMR_3":2.069,"moe2D_Kier1":6,"moe2D_Kier2":3.2,"moe2D_Kier3":3,"moe2D_KierA1":11.95,"moe2D_KierA2":7.338,"moe2D_KierA3":7.865,"moe2D_KierFlex":14.62,"moe2D_PEOE_PC.":0.3671,"moe2D_PEOE_PC..1":-0.3671,"moe2D_PEOE_RPC.":0.1653,"moe2D_PEOE_RPC..1":0.3375,"moe2D_PEOE_VSA.0":43.35,"moe2D_PEOE_VSA.1":0.9662,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":88.75,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6669,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3331,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":133.1,"moe2D_PEOE_VSA_NEG":88.75,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":44.32,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.87,"moe2D_Q_PC..1":-0.87,"moe2D_Q_RPC.":0.3333,"moe2D_Q_RPC..1":0.3333,"moe2D_Q_VSA_FHYD":0.1603,"moe2D_Q_VSA_FNEG":0.6669,"moe2D_Q_VSA_FPNEG":0.6669,"moe2D_Q_VSA_FPOL":0.8397,"moe2D_Q_VSA_FPOS":0.3331,"moe2D_Q_VSA_FPPOS":0.1728,"moe2D_Q_VSA_HYD":21.33,"moe2D_Q_VSA_NEG":88.75,"moe2D_Q_VSA_PNEG":88.75,"moe2D_Q_VSA_POL":111.7,"moe2D_Q_VSA_POS":44.32,"moe2D_Q_VSA_PPOS":22.99,"moe2D_SMR":3.104,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":4.726,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":38.37,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":2.491,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":38.37,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":4.726,"moe2D_SlogP_VSA9":117.4,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.826,"moe2D_VDistMa":4.76,"moe2D_Weight":147.4,"moe2D_a_IC":16.93,"moe2D_a_ICM":1.539,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":11,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":15.15,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.4,"moe2D_b_ar":0,"moe2D_b_count":10,"moe2D_b_double":0,"moe2D_b_heavy":5,"moe2D_b_rotN":2,"moe2D_b_rotR":0.4,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.754,"moe2D_bpol":6.726,"moe2D_chi0":4.992,"moe2D_chi0_C":1.992,"moe2D_chi0v":5.393,"moe2D_chi0v_C":1.992,"moe2D_chi1":2.808,"moe2D_chi1_C":0.8165,"moe2D_chi1v":3.075,"moe2D_chi1v_C":0.8165,"moeGao_chi2_C":0.2887,"moeGao_chi2v_C":0.2887,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.3273,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.394,"moeGao_chi3p_C":0,"moeGao_chi3pv":1.704,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.2887,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.3712,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.5774,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.7423,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.092,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":15.86,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.8711,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-0.06173,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.073,"moe2D_logS":-1.886,"moe2D_mr":3.019,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":133.1,"moe2D_vdw_vol":135.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":129.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":31,"moe2D_weinerPol":4,"moe2D_zagreb":20}
{"Molecule":"1245-tetrachlorobenzene","moeGao_Abra_L":6.026,"moeGao_Abra_R":1.196,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.039,"moeGao_Abra_pi":0.947,"moe2D_BCUT_PEOE_0":-2.087,"moe2D_BCUT_PEOE_1":-0.6789,"moe2D_BCUT_PEOE_2":0.6534,"moe2D_BCUT_PEOE_3":2.129,"moe2D_BCUT_SLOGP_0":-1.852,"moe2D_BCUT_SLOGP_1":-0.2343,"moe2D_BCUT_SLOGP_2":1.061,"moe2D_BCUT_SLOGP_3":2.392,"moe2D_BCUT_SMR_0":-1.75,"moe2D_BCUT_SMR_1":-0.2422,"moe2D_BCUT_SMR_2":1.052,"moe2D_BCUT_SMR_3":2.477,"moe2D_GCUT_PEOE_0":-0.6843,"moe2D_GCUT_PEOE_1":-0.4089,"moe2D_GCUT_PEOE_2":0.00785,"moe2D_GCUT_PEOE_3":1.843,"moe2D_GCUT_SLOGP_0":-0.4882,"moe2D_GCUT_SLOGP_1":-0.05791,"moe2D_GCUT_SLOGP_2":0.5281,"moe2D_GCUT_SLOGP_3":2.136,"moe2D_GCUT_SMR_0":-0.3686,"moe2D_GCUT_SMR_1":-0.03641,"moe2D_GCUT_SMR_2":0.4872,"moe2D_GCUT_SMR_3":2.202,"moe2D_Kier1":8.1,"moe2D_Kier2":2.939,"moe2D_Kier3":1.75,"moe2D_KierA1":11.14,"moe2D_KierA2":4.191,"moe2D_KierA3":2.57,"moe2D_KierFlex":4.669,"moe2D_PEOE_PC.":0.3723,"moe2D_PEOE_PC..1":-0.3723,"moe2D_PEOE_RPC.":0.1739,"moe2D_PEOE_RPC..1":0.2202,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":26.61,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":118.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.843,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.157,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":169.4,"moe2D_PEOE_VSA_NEG":142.8,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":26.61,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.008,"moe2D_Q_PC..1":-1.008,"moe2D_Q_RPC.":0.1756,"moe2D_Q_RPC..1":0.1756,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.843,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.157,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":169.4,"moe2D_Q_VSA_NEG":142.8,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":26.61,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.648,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":14,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":156.6,"moe2D_SlogP":4.3,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":14,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":156.6,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.111,"moe2D_VDistMa":6.344,"moe2D_Weight":215.9,"moe2D_a_IC":17.51,"moe2D_a_ICM":1.459,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":4,"moe2D_a_nF":0,"moe2D_a_nH":2,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":20.61,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.516,"moe2D_bpol":3.866,"moe2D_chi0":7.724,"moe2D_chi0_C":3.724,"moe2D_chi0v":7.69,"moe2D_chi0v_C":3.155,"moe2D_chi1":4.609,"moe2D_chi1_C":2.3,"moe2D_chi1v":3.922,"moe2D_chi1v_C":1.655,"moeGao_chi2_C":1.414,"moeGao_chi2v_C":0.866,"moeGao_chi3c":0.9428,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.6547,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.43,"moeGao_chi3p_C":0.8777,"moeGao_chi3pv":2.408,"moeGao_chi3pv_C":0.4553,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.102,"moeGao_chi4ca_C":0.542,"moeGao_chi4cav":1.265,"moeGao_chi4cav_C":0.2388,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.154,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.448,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.12,"moe2D_diameter":5,"moe2D_kS_aaCH":3.015,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.652,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":22.44,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.344,"moe2D_logS":-4.322,"moe2D_mr":4.503,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":169.4,"moe2D_vdw_vol":192.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":168,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":111,"moe2D_weinerPol":13,"moe2D_zagreb":48}
{"Molecule":"124-trichlorobenzene","moeGao_Abra_L":5.309,"moeGao_Abra_R":1.061,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.077,"moeGao_Abra_pi":0.895,"moe2D_BCUT_PEOE_0":-2.103,"moe2D_BCUT_PEOE_1":-0.6715,"moe2D_BCUT_PEOE_2":0.6646,"moe2D_BCUT_PEOE_3":2.114,"moe2D_BCUT_SLOGP_0":-1.881,"moe2D_BCUT_SLOGP_1":-0.3349,"moe2D_BCUT_SLOGP_2":1.025,"moe2D_BCUT_SLOGP_3":2.364,"moe2D_BCUT_SMR_0":-1.769,"moe2D_BCUT_SMR_1":-0.327,"moe2D_BCUT_SMR_2":1.018,"moe2D_BCUT_SMR_3":2.46,"moe2D_GCUT_PEOE_0":-0.7097,"moe2D_GCUT_PEOE_1":-0.405,"moe2D_GCUT_PEOE_2":0.03679,"moe2D_GCUT_PEOE_3":1.832,"moe2D_GCUT_SLOGP_0":-0.5179,"moe2D_GCUT_SLOGP_1":-0.1317,"moe2D_GCUT_SLOGP_2":0.4957,"moe2D_GCUT_SLOGP_3":2.1,"moe2D_GCUT_SMR_0":-0.3853,"moe2D_GCUT_SMR_1":-0.1016,"moe2D_GCUT_SMR_2":0.4603,"moe2D_GCUT_SMR_3":2.18,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.704,"moe2D_KierA1":8.729,"moe2D_KierA2":3.433,"moe2D_KierA3":2.205,"moe2D_KierFlex":3.33,"moe2D_PEOE_PC.":0.3536,"moe2D_PEOE_PC..1":-0.3536,"moe2D_PEOE_RPC.":0.183,"moe2D_PEOE_RPC..1":0.2361,"moe2D_PEOE_VSA.0":4.52,"moe2D_PEOE_VSA.1":21.84,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8265,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1735,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":151.9,"moe2D_PEOE_VSA_NEG":125.5,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":26.36,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.981,"moe2D_Q_PC..1":-0.981,"moe2D_Q_RPC.":0.1804,"moe2D_Q_RPC..1":0.1804,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.8265,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.1735,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":151.9,"moe2D_Q_VSA_NEG":125.5,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":26.36,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.147,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.5,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":3.647,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":10.5,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":117.4,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.037,"moe2D_VDistMa":6.021,"moe2D_Weight":181.4,"moe2D_a_IC":18,"moe2D_a_ICM":1.5,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":19.1,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.409,"moe2D_bpol":4.54,"moe2D_chi0":6.853,"moe2D_chi0_C":3.853,"moe2D_chi0v":6.634,"moe2D_chi0v_C":3.232,"moe2D_chi1":4.198,"moe2D_chi1_C":2.466,"moe2D_chi1v":3.439,"moe2D_chi1v_C":1.738,"moeGao_chi2_C":1.573,"moeGao_chi2v_C":0.933,"moeGao_chi3c":0.7601,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.5163,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.86,"moeGao_chi3p_C":1.007,"moeGao_chi3pv":1.856,"moeGao_chi3pv_C":0.5017,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.817,"moeGao_chi4ca_C":0.6422,"moeGao_chi4cav":0.9965,"moeGao_chi4cav_C":0.2693,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.478,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.9401,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.027,"moe2D_diameter":5,"moe2D_kS_aaCH":4.952,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.62,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":16.76,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.717,"moe2D_logS":-3.588,"moe2D_mr":4.092,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":151.9,"moe2D_vdw_vol":176.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":149.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":84,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"124-trimethyl","moeGao_Abra_L":4.372,"moeGao_Abra_R":0.68,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.125,"moeGao_Abra_pi":0.505,"moe2D_BCUT_PEOE_0":-2.381,"moe2D_BCUT_PEOE_1":-0.1134,"moe2D_BCUT_PEOE_2":0.1479,"moe2D_BCUT_PEOE_3":2.318,"moe2D_BCUT_SLOGP_0":-2.227,"moe2D_BCUT_SLOGP_1":-0.00139,"moe2D_BCUT_SLOGP_2":0.2551,"moe2D_BCUT_SLOGP_3":2.472,"moe2D_BCUT_SMR_0":-2.084,"moe2D_BCUT_SMR_1":0.01514,"moe2D_BCUT_SMR_2":0.3297,"moe2D_BCUT_SMR_3":2.625,"moe2D_GCUT_PEOE_0":-0.7684,"moe2D_GCUT_PEOE_1":-0.2438,"moe2D_GCUT_PEOE_2":-0.111,"moe2D_GCUT_PEOE_3":2.187,"moe2D_GCUT_SLOGP_0":-0.6143,"moe2D_GCUT_SLOGP_1":-0.1276,"moe2D_GCUT_SLOGP_2":-0.01053,"moe2D_GCUT_SLOGP_3":2.34,"moe2D_GCUT_SMR_0":-0.4852,"moe2D_GCUT_SMR_1":-0.08291,"moe2D_GCUT_SMR_2":0.02508,"moe2D_GCUT_SMR_3":2.477,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.704,"moe2D_KierA1":5.29,"moe2D_KierA2":1.94,"moe2D_KierA3":1.164,"moe2D_KierFlex":1.14,"moe2D_PEOE_PC.":0.4362,"moe2D_PEOE_PC..1":-0.4362,"moe2D_PEOE_RPC.":0.1428,"moe2D_PEOE_RPC..1":0.1343,"moe2D_PEOE_VSA.0":38.39,"moe2D_PEOE_VSA.1":12.8,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":60.66,"moe2D_PEOE_VSA.1.1":38.97,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6606,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3394,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":150.8,"moe2D_PEOE_VSA_NEG":99.63,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":51.18,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.8805,"moe2D_Q_PC..1":-0.8805,"moe2D_Q_RPC.":0.1704,"moe2D_Q_RPC..1":0.1704,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.2877,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.7123,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":150.8,"moe2D_Q_VSA_NEG":43.39,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":107.4,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.065,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":9.557,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":2.612,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":9.557,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.037,"moe2D_VDistMa":6.021,"moe2D_Weight":120.2,"moe2D_a_IC":20.69,"moe2D_a_ICM":0.9852,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":21,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":23.84,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":21,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.409,"moe2D_bpol":13.12,"moe2D_chi0":6.853,"moe2D_chi0_C":6.853,"moe2D_chi0v":6.232,"moe2D_chi0v_C":6.232,"moe2D_chi1":4.198,"moe2D_chi1_C":4.198,"moe2D_chi1v":3.238,"moe2D_chi1v_C":3.238,"moeGao_chi2_C":3.873,"moeGao_chi2v_C":2.588,"moeGao_chi3c":0.7601,"moeGao_chi3c_C":0.7601,"moeGao_chi3cv":0.4553,"moeGao_chi3cv_C":0.4553,"moeGao_chi3p":2.86,"moeGao_chi3p_C":2.86,"moeGao_chi3pv":1.662,"moeGao_chi3pv_C":1.662,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.817,"moeGao_chi4ca_C":1.817,"moeGao_chi4cav":0.8913,"moeGao_chi4cav_C":0.8913,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.478,"moeGao_chi4pc_C":1.478,"moeGao_chi4pcv":0.7904,"moeGao_chi4pcv_C":0.7904,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5946,"moe2D_diameter":5,"moe2D_kS_aaCH":6.502,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":4.105,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.392,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.348,"moe2D_logS":-2.807,"moe2D_mr":4.066,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":150.8,"moe2D_vdw_vol":202.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":142.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":84,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"12-dichloro","moeGao_Abra_L":2.52,"moeGao_Abra_R":0.306,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.084,"moeGao_Abra_pi":0.441,"moe2D_BCUT_PEOE_0":-2.285,"moe2D_BCUT_PEOE_1":-0.06855,"moe2D_BCUT_PEOE_2":0.0441,"moe2D_BCUT_PEOE_3":2.323,"moe2D_BCUT_SLOGP_0":-2.344,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.4908,"moe2D_BCUT_SLOGP_3":2.32,"moe2D_BCUT_SMR_0":-2.039,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.4277,"moe2D_BCUT_SMR_3":2.583,"moe2D_GCUT_PEOE_0":-0.7092,"moe2D_GCUT_PEOE_1":-0.228,"moe2D_GCUT_PEOE_2":-0.1159,"moe2D_GCUT_PEOE_3":1.542,"moe2D_GCUT_SLOGP_0":-0.8467,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.2908,"moe2D_GCUT_SLOGP_3":1.657,"moe2D_GCUT_SMR_0":-0.4748,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.2616,"moe2D_GCUT_SMR_3":1.816,"moe2D_Kier1":4,"moe2D_Kier2":3,"moe2D_Kier3":4,"moe2D_KierA1":8.351,"moe2D_KierA2":8.291,"moe2D_KierA3":16.21,"moe2D_KierFlex":17.31,"moe2D_PEOE_PC.":0.2484,"moe2D_PEOE_PC..1":-0.2484,"moe2D_PEOE_RPC.":0.1775,"moe2D_PEOE_RPC..1":0.5,"moe2D_PEOE_VSA.0":39.09,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":59.16,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6022,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3978,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":98.25,"moe2D_PEOE_VSA_NEG":59.16,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":39.09,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.58,"moe2D_Q_PC..1":-0.58,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.1737,"moe2D_Q_VSA_FNEG":0.6022,"moe2D_Q_VSA_FPNEG":0.6022,"moe2D_Q_VSA_FPOL":0.8263,"moe2D_Q_VSA_FPOS":0.3978,"moe2D_Q_VSA_FPPOS":0.2242,"moe2D_Q_VSA_HYD":17.06,"moe2D_Q_VSA_NEG":59.16,"moe2D_Q_VSA_PNEG":59.16,"moe2D_Q_VSA_POL":81.19,"moe2D_Q_VSA_POS":39.09,"moe2D_Q_VSA_PPOS":22.03,"moe2D_SMR":2.144,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":38.37,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":1.464,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":38.37,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":78.3,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1.459,"moe2D_VDistMa":3.446,"moe2D_Weight":98.96,"moe2D_a_IC":12,"moe2D_a_ICM":1.5,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":8,"moe2D_a_don":0,"moe2D_a_heavy":4,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":10.55,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":7,"moe2D_b_double":0,"moe2D_b_heavy":3,"moe2D_b_rotN":1,"moe2D_b_rotR":0.3333,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":1.975,"moe2D_bpol":5.213,"moe2D_chi0":3.414,"moe2D_chi0_C":1.414,"moe2D_chi0v":3.682,"moe2D_chi0v_C":1.414,"moe2D_chi1":1.914,"moe2D_chi1_C":0.5,"moe2D_chi1v":2.104,"moe2D_chi1v_C":0.5,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.6429,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.045,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":10.11,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.114,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.398,"moe2D_logS":-1.121,"moe2D_mr":2.114,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":98.25,"moe2D_vdw_vol":94.67,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":95.4,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":10,"moe2D_weinerPol":1,"moe2D_zagreb":10}
{"Molecule":"12-dichloropropane","moeGao_Abra_L":2.841,"moeGao_Abra_R":0.291,"moeGao_Abra_acidity":0.049,"moeGao_Abra_basicity":0.102,"moeGao_Abra_pi":0.402,"moe2D_BCUT_PEOE_0":-2.441,"moe2D_BCUT_PEOE_1":-0.05724,"moe2D_BCUT_PEOE_2":0.03772,"moe2D_BCUT_PEOE_3":2.46,"moe2D_BCUT_SLOGP_0":-2.334,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.4568,"moe2D_BCUT_SLOGP_3":2.608,"moe2D_BCUT_SMR_0":-2.198,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.3969,"moe2D_BCUT_SMR_3":2.714,"moe2D_GCUT_PEOE_0":-0.7402,"moe2D_GCUT_PEOE_1":-0.2166,"moe2D_GCUT_PEOE_2":-0.1223,"moe2D_GCUT_PEOE_3":1.781,"moe2D_GCUT_SLOGP_0":-0.7483,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.2503,"moe2D_GCUT_SLOGP_3":1.969,"moe2D_GCUT_SMR_0":-0.5022,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.2215,"moe2D_GCUT_SMR_3":2.038,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":8.914,"moe2D_KierA2":4.697,"moe2D_KierA3":10.41,"moe2D_KierFlex":8.375,"moe2D_PEOE_PC.":0.2925,"moe2D_PEOE_PC..1":-0.2925,"moe2D_PEOE_RPC.":0.1621,"moe2D_PEOE_RPC..1":0.4237,"moe2D_PEOE_VSA.0":37.57,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":59.16,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6747,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3253,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":115.5,"moe2D_PEOE_VSA_NEG":77.91,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":37.57,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.58,"moe2D_Q_PC..1":-0.58,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.384,"moe2D_Q_VSA_FNEG":0.5123,"moe2D_Q_VSA_FPNEG":0.5123,"moe2D_Q_VSA_FPOL":0.616,"moe2D_Q_VSA_FPOS":0.4877,"moe2D_Q_VSA_FPPOS":0.1037,"moe2D_Q_VSA_HYD":44.34,"moe2D_Q_VSA_NEG":59.16,"moe2D_Q_VSA_PNEG":59.16,"moe2D_Q_VSA_POL":71.14,"moe2D_Q_VSA_POS":56.32,"moe2D_Q_VSA_PPOS":11.98,"moe2D_SMR":2.6,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":4.726,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":19.18,"moe2D_SMR_VSA7":111.6,"moe2D_SlogP":2.272,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":19.18,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":4.726,"moe2D_SlogP_VSA9":111.6,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":113,"moe2D_a_IC":15.79,"moe2D_a_ICM":1.435,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":11,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":13.64,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":10,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.54,"moe2D_bpol":7.399,"moe2D_chi0":4.284,"moe2D_chi0_C":2.284,"moe2D_chi0v":4.552,"moe2D_chi0v_C":2.284,"moe2D_chi1":2.27,"moe2D_chi1_C":0.9856,"moe2D_chi1v":2.442,"moe2D_chi1v_C":0.9856,"moeGao_chi2_C":0.4082,"moeGao_chi2v_C":0.4082,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.4629,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.9878,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.5249,"moeGao_chi4pcv_C":0,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.9487,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.856,"moe2D_kS_sCl":10.53,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.5432,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.1219,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.86,"moe2D_logS":-1.448,"moe2D_mr":2.557,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":115.5,"moe2D_vdw_vol":119.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":111.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"12-dimethylpropylamine(2-butanamine3-methyl)","moeGao_Abra_L":2.872,"moeGao_Abra_R":0.199,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.595,"moeGao_Abra_pi":0.299,"moe2D_BCUT_PEOE_0":-2.68,"moe2D_BCUT_PEOE_1":0.02328,"moe2D_BCUT_PEOE_2":0.1185,"moe2D_BCUT_PEOE_3":2.609,"moe2D_BCUT_SLOGP_0":-2.763,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.651,"moe2D_BCUT_SMR_0":-2.421,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.865,"moe2D_GCUT_PEOE_0":-0.8402,"moe2D_GCUT_PEOE_1":-0.1367,"moe2D_GCUT_PEOE_2":-0.04153,"moe2D_GCUT_PEOE_3":2.193,"moe2D_GCUT_SLOGP_0":-1.364,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.239,"moe2D_GCUT_SMR_0":-0.5301,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.412,"moe2D_Kier1":6,"moe2D_Kier2":2.222,"moe2D_Kier3":3,"moe2D_KierA1":6,"moe2D_KierA2":2.222,"moe2D_KierA3":3,"moe2D_KierFlex":2.222,"moe2D_PEOE_PC.":0.5312,"moe2D_PEOE_PC..1":-0.5312,"moe2D_PEOE_RPC.":0.223,"moe2D_PEOE_RPC..1":0.6161,"moe2D_PEOE_VSA.0":50.07,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":37.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9489,"moe2D_PEOE_VSA_FNEG":0.4831,"moe2D_PEOE_VSA_FPNEG":0.05108,"moe2D_PEOE_VSA_FPOL":0.05108,"moe2D_PEOE_VSA_FPOS":0.5169,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":123.5,"moe2D_PEOE_VSA_NEG":62.89,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":67.3,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7924,"moe2D_Q_VSA_FNEG":0.05108,"moe2D_Q_VSA_FPNEG":0.05108,"moe2D_Q_VSA_FPOL":0.2076,"moe2D_Q_VSA_FPOS":0.9489,"moe2D_Q_VSA_FPPOS":0.1566,"moe2D_Q_VSA_HYD":103.2,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":27.04,"moe2D_Q_VSA_POS":123.5,"moe2D_Q_VSA_PPOS":20.38,"moe2D_SMR":2.849,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":4.411,"moe2D_SMR_VSA3":3.982,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":0.9896,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":3.982,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":4.411,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.566,"moe2D_VDistMa":4.788,"moe2D_Weight":87.17,"moe2D_a_IC":21,"moe2D_a_ICM":1.105,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":6,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":13,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":18.57,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.2,"moe2D_b_ar":0,"moe2D_b_count":18,"moe2D_b_double":0,"moe2D_b_heavy":5,"moe2D_b_rotN":1,"moe2D_b_rotR":0.2,"moe2D_b_single":18,"moe2D_b_triple":0,"moe2D_balabanJ":2.993,"moe2D_bpol":13.55,"moe2D_chi0":5.155,"moe2D_chi0_C":4.155,"moe2D_chi0v":4.732,"moe2D_chi0v_C":4.155,"moe2D_chi1":2.643,"moe2D_chi1_C":2.065,"moe2D_chi1v":2.399,"moe2D_chi1v_C":2.065,"moeGao_chi2_C":1.577,"moeGao_chi2v_C":1.577,"moeGao_chi3c":0.6667,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.5258,"moeGao_chi3cv_C":0.3333,"moeGao_chi3p":1.333,"moeGao_chi3p_C":0.6667,"moeGao_chi3pv":1.052,"moeGao_chi3pv_C":0.6667,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.333,"moeGao_chi4pc_C":0.3333,"moeGao_chi4pcv":0.9107,"moeGao_chi4pcv_C":0.3333,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.5784,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.25,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.435,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.9815,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.149,"moe2D_logS":-0.3399,"moe2D_mr":2.774,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":130.2,"moe2D_vdw_vol":150.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":97.13,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":29,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"12-propanediamine(12-diaminopropane)","moeGao_Abra_L":3.011,"moeGao_Abra_R":0.403,"moeGao_Abra_acidity":0.384,"moeGao_Abra_basicity":1.051,"moeGao_Abra_pi":0.588,"moe2D_BCUT_PEOE_0":-2.588,"moe2D_BCUT_PEOE_1":-0.174,"moe2D_BCUT_PEOE_2":0.2949,"moe2D_BCUT_PEOE_3":2.507,"moe2D_BCUT_SLOGP_0":-2.833,"moe2D_BCUT_SLOGP_1":-0.1087,"moe2D_BCUT_SLOGP_2":0.3647,"moe2D_BCUT_SLOGP_3":2.413,"moe2D_BCUT_SMR_0":-2.318,"moe2D_BCUT_SMR_1":-0.09238,"moe2D_BCUT_SMR_2":0.3201,"moe2D_BCUT_SMR_3":2.769,"moe2D_GCUT_PEOE_0":-0.8411,"moe2D_GCUT_PEOE_1":-0.2128,"moe2D_GCUT_PEOE_2":0.00347,"moe2D_GCUT_PEOE_3":1.968,"moe2D_GCUT_SLOGP_0":-1.366,"moe2D_GCUT_SLOGP_1":-0.1547,"moe2D_GCUT_SLOGP_2":0.08419,"moe2D_GCUT_SLOGP_3":1.897,"moe2D_GCUT_SMR_0":-0.5165,"moe2D_GCUT_SMR_1":-0.1185,"moe2D_GCUT_SMR_2":0.02321,"moe2D_GCUT_SMR_3":2.193,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":2.25,"moe2D_KierA3":4,"moe2D_KierFlex":2.25,"moe2D_PEOE_PC.":0.7036,"moe2D_PEOE_PC..1":-0.7036,"moe2D_PEOE_RPC.":0.1684,"moe2D_PEOE_RPC..1":0.4669,"moe2D_PEOE_VSA.0":41.93,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":34.48,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":13.3,"moe2D_PEOE_VSA_FHYD":0.8773,"moe2D_PEOE_VSA_FNEG":0.2955,"moe2D_PEOE_VSA_FPNEG":0.1227,"moe2D_PEOE_VSA_FPOL":0.1227,"moe2D_PEOE_VSA_FPOS":0.7045,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":95.15,"moe2D_PEOE_VSA_NEG":32.05,"moe2D_PEOE_VSA_PNEG":13.3,"moe2D_PEOE_VSA_POL":13.3,"moe2D_PEOE_VSA_POS":76.41,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.98,"moe2D_Q_PC..1":-1.98,"moe2D_Q_RPC.":0.1818,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.4088,"moe2D_Q_VSA_FNEG":0.1227,"moe2D_Q_VSA_FPNEG":0.1227,"moe2D_Q_VSA_FPOL":0.5912,"moe2D_Q_VSA_FPOS":0.8773,"moe2D_Q_VSA_FPPOS":0.4685,"moe2D_Q_VSA_HYD":44.34,"moe2D_Q_VSA_NEG":13.3,"moe2D_Q_VSA_PNEG":13.3,"moe2D_Q_VSA_POL":64.12,"moe2D_Q_VSA_POS":95.15,"moe2D_Q_VSA_PPOS":50.81,"moe2D_SMR":2.27,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.982,"moe2D_SMR_VSA4":65.79,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":-0.7077,"moe2D_SlogP_VSA0":65.79,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":3.982,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":52.04,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":74.13,"moe2D_a_IC":18.63,"moe2D_a_ICM":1.242,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":15,"moe2D_a_don":2,"moe2D_a_heavy":5,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":2,"moe2D_a_nO":0,"moe2D_apol":14.15,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.54,"moe2D_bpol":9.612,"moe2D_chi0":4.284,"moe2D_chi0_C":2.284,"moe2D_chi0v":3.439,"moe2D_chi0v_C":2.284,"moe2D_chi1":2.27,"moe2D_chi1_C":0.9856,"moe2D_chi1v":1.727,"moe2D_chi1v_C":0.9856,"moeGao_chi2_C":0.4082,"moeGao_chi2v_C":0.4082,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2357,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.3718,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1361,"moeGao_chi4pcv_C":0,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.6361,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.875,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":10.21,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.5833,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.162,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-1.08,"moe2D_logS":0.6995,"moe2D_mr":2.147,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":108.5,"moe2D_vdw_vol":116.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":56.41,"moe2D_vsa_other":0,"moe2D_vsa_pol":35.48,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"12-propyleneglycol","moeGao_Abra_L":2.821,"moeGao_Abra_R":0.341,"moeGao_Abra_acidity":0.631,"moeGao_Abra_basicity":0.703,"moeGao_Abra_pi":0.717,"moe2D_BCUT_PEOE_0":-2.499,"moe2D_BCUT_PEOE_1":-0.4754,"moe2D_BCUT_PEOE_2":0.6084,"moe2D_BCUT_PEOE_3":2.494,"moe2D_BCUT_SLOGP_0":-2.599,"moe2D_BCUT_SLOGP_1":-0.5723,"moe2D_BCUT_SLOGP_2":0.4758,"moe2D_BCUT_SLOGP_3":2.426,"moe2D_BCUT_SMR_0":-2.279,"moe2D_BCUT_SMR_1":-0.3993,"moe2D_BCUT_SMR_2":0.6678,"moe2D_BCUT_SMR_3":2.703,"moe2D_GCUT_PEOE_0":-0.7988,"moe2D_GCUT_PEOE_1":-0.3218,"moe2D_GCUT_PEOE_2":0.1145,"moe2D_GCUT_PEOE_3":1.875,"moe2D_GCUT_SLOGP_0":-0.9226,"moe2D_GCUT_SLOGP_1":-0.4102,"moe2D_GCUT_SLOGP_2":-0.00874,"moe2D_GCUT_SLOGP_3":1.826,"moe2D_GCUT_SMR_0":-0.5257,"moe2D_GCUT_SMR_1":-0.2149,"moe2D_GCUT_SMR_2":0.1576,"moe2D_GCUT_SMR_3":2.062,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":2.25,"moe2D_KierA3":4,"moe2D_KierFlex":2.25,"moe2D_PEOE_PC.":0.8191,"moe2D_PEOE_PC..1":-0.8191,"moe2D_PEOE_RPC.":0.2562,"moe2D_PEOE_RPC..1":0.4792,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":32.65,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":20.65,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":15.54,"moe2D_PEOE_VSA_FHYD":0.6395,"moe2D_PEOE_VSA_FNEG":0.3415,"moe2D_PEOE_VSA_FPNEG":0.1548,"moe2D_PEOE_VSA_FPOL":0.3605,"moe2D_PEOE_VSA_FPOS":0.6585,"moe2D_PEOE_VSA_FPPOS":0.2057,"moe2D_PEOE_VSA_HYD":64.2,"moe2D_PEOE_VSA_NEG":34.28,"moe2D_PEOE_VSA_PNEG":15.54,"moe2D_PEOE_VSA_POL":36.18,"moe2D_PEOE_VSA_POS":66.1,"moe2D_PEOE_VSA_PPOS":20.65,"moe2D_Q_PC.":1.36,"moe2D_Q_PC..1":-1.36,"moe2D_Q_RPC.":0.2941,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.4417,"moe2D_Q_VSA_FNEG":0.1548,"moe2D_Q_VSA_FPNEG":0.1548,"moe2D_Q_VSA_FPOL":0.5583,"moe2D_Q_VSA_FPOS":0.8452,"moe2D_Q_VSA_FPPOS":0.4035,"moe2D_Q_VSA_HYD":44.34,"moe2D_Q_VSA_NEG":15.54,"moe2D_Q_VSA_PNEG":15.54,"moe2D_Q_VSA_POL":56.04,"moe2D_Q_VSA_POS":84.84,"moe2D_Q_VSA_PPOS":40.5,"moe2D_SMR":1.877,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":50.77,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.469,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":-0.6405,"moe2D_SlogP_VSA0":50.77,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":6.469,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":40.46,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":76.09,"moe2D_a_IC":17.35,"moe2D_a_ICM":1.335,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":13,"moe2D_a_don":2,"moe2D_a_heavy":5,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":12.22,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2.54,"moe2D_bpol":8.746,"moe2D_chi0":4.284,"moe2D_chi0_C":2.284,"moe2D_chi0v":3.179,"moe2D_chi0v_C":2.284,"moe2D_chi1":2.27,"moe2D_chi1_C":0.9856,"moe2D_chi1v":1.56,"moe2D_chi1v_C":0.9856,"moeGao_chi2_C":0.4082,"moeGao_chi2v_C":0.4082,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1826,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.2642,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.08165,"moeGao_chi4pcv_C":0,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.7301,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.528,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":16,"moe2D_kS_ssCH2":-0.1389,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-0.5602,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.636,"moe2D_logS":0.4873,"moe2D_mr":1.914,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":100.4,"moe2D_vdw_vol":104.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":59.93,"moe2D_vsa_other":0,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"135-tribromo2-hydroxybenzene(246-tribromophenol)","moeGao_Abra_L":6.913,"moeGao_Abra_R":1.653,"moeGao_Abra_acidity":0.639,"moeGao_Abra_basicity":0.206,"moeGao_Abra_pi":1.229,"moe2D_BCUT_PEOE_0":-2.127,"moe2D_BCUT_PEOE_1":-0.6652,"moe2D_BCUT_PEOE_2":0.6823,"moe2D_BCUT_PEOE_3":2.136,"moe2D_BCUT_SLOGP_0":-1.907,"moe2D_BCUT_SLOGP_1":-0.3084,"moe2D_BCUT_SLOGP_2":1.057,"moe2D_BCUT_SLOGP_3":2.423,"moe2D_BCUT_SMR_0":-1.789,"moe2D_BCUT_SMR_1":-0.2526,"moe2D_BCUT_SMR_2":1.125,"moe2D_BCUT_SMR_3":2.504,"moe2D_GCUT_PEOE_0":-0.7511,"moe2D_GCUT_PEOE_1":-0.3973,"moe2D_GCUT_PEOE_2":0.04875,"moe2D_GCUT_PEOE_3":1.873,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.1282,"moe2D_GCUT_SLOGP_2":0.5221,"moe2D_GCUT_SLOGP_3":2.179,"moe2D_GCUT_SMR_0":-0.4268,"moe2D_GCUT_SMR_1":-0.0723,"moe2D_GCUT_SMR_2":0.6089,"moe2D_GCUT_SMR_3":2.26,"moe2D_Kier1":8.1,"moe2D_Kier2":2.939,"moe2D_Kier3":1.75,"moe2D_KierA1":12.88,"moe2D_KierA2":4.921,"moe2D_KierA3":3.054,"moe2D_KierFlex":6.341,"moe2D_PEOE_PC.":0.5654,"moe2D_PEOE_PC..1":-0.5654,"moe2D_PEOE_RPC.":0.3845,"moe2D_PEOE_RPC..1":0.6325,"moe2D_PEOE_VSA.0":6.757,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":111.8,"moe2D_PEOE_VSA.1.1":43.62,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9083,"moe2D_PEOE_VSA_FNEG":0.8273,"moe2D_PEOE_VSA_FPNEG":0.03938,"moe2D_PEOE_VSA_FPOL":0.09173,"moe2D_PEOE_VSA_FPOS":0.1727,"moe2D_PEOE_VSA_FPPOS":0.05235,"moe2D_PEOE_VSA_HYD":179.1,"moe2D_PEOE_VSA_NEG":163.2,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":34.07,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.165,"moe2D_Q_PC..1":-1.165,"moe2D_Q_RPC.":0.3861,"moe2D_Q_RPC..1":0.4569,"moe2D_Q_VSA_FHYD":0.9083,"moe2D_Q_VSA_FNEG":0.8273,"moe2D_Q_VSA_FPNEG":0.03938,"moe2D_Q_VSA_FPOL":0.09173,"moe2D_Q_VSA_FPOS":0.1727,"moe2D_Q_VSA_FPPOS":0.05235,"moe2D_Q_VSA_HYD":179.1,"moe2D_Q_VSA_NEG":163.2,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":34.07,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":5.121,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":9.165,"moe2D_SMR_VSA3":5.243,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":137.9,"moe2D_SlogP":3.68,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":9.165,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":143.1,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.063,"moe2D_VDistMa":6.35,"moe2D_Weight":330.8,"moe2D_a_IC":23.09,"moe2D_a_ICM":1.776,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":3,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":22.51,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.543,"moe2D_bpol":7.15,"moe2D_chi0":7.724,"moe2D_chi0_C":3.724,"moe2D_chi0v":9.494,"moe2D_chi0v_C":3.155,"moe2D_chi1":4.609,"moe2D_chi1_C":2.3,"moe2D_chi1v":4.824,"moe2D_chi1v_C":1.655,"moeGao_chi2_C":1.424,"moeGao_chi2v_C":0.869,"moeGao_chi3c":0.9525,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.9502,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.343,"moeGao_chi3p_C":0.8777,"moeGao_chi3pv":2.648,"moeGao_chi3pv_C":0.4553,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.356,"moeGao_chi4ca_C":0.542,"moeGao_chi4cav":2.793,"moeGao_chi4cav_C":0.2388,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.006,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.432,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.474,"moe2D_diameter":5,"moe2D_kS_aaCH":3.556,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":2.27,"moe2D_kS_aasC":0.2252,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":9.65,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.216,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.062,"moe2D_logS":-4.294,"moe2D_mr":5,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":197.2,"moe2D_vdw_vol":224.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":177.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":110,"moe2D_weinerPol":13,"moe2D_zagreb":48}
{"Molecule":"135-trichlorobenzene","moeGao_Abra_L":5.364,"moeGao_Abra_R":1.061,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.034,"moeGao_Abra_pi":0.9,"moe2D_BCUT_PEOE_0":-2.102,"moe2D_BCUT_PEOE_1":-0.6778,"moe2D_BCUT_PEOE_2":0.6708,"moe2D_BCUT_PEOE_3":2.114,"moe2D_BCUT_SLOGP_0":-1.879,"moe2D_BCUT_SLOGP_1":-0.3355,"moe2D_BCUT_SLOGP_2":1.008,"moe2D_BCUT_SLOGP_3":2.361,"moe2D_BCUT_SMR_0":-1.768,"moe2D_BCUT_SMR_1":-0.3293,"moe2D_BCUT_SMR_2":1.02,"moe2D_BCUT_SMR_3":2.459,"moe2D_GCUT_PEOE_0":-0.7017,"moe2D_GCUT_PEOE_1":-0.411,"moe2D_GCUT_PEOE_2":0.03622,"moe2D_GCUT_PEOE_3":1.831,"moe2D_GCUT_SLOGP_0":-0.5044,"moe2D_GCUT_SLOGP_1":-0.12,"moe2D_GCUT_SLOGP_2":0.4309,"moe2D_GCUT_SLOGP_3":2.099,"moe2D_GCUT_SMR_0":-0.3778,"moe2D_GCUT_SMR_1":-0.08529,"moe2D_GCUT_SMR_2":0.4146,"moe2D_GCUT_SMR_3":2.179,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":2,"moe2D_KierA1":8.729,"moe2D_KierA2":3.433,"moe2D_KierA3":2.588,"moe2D_KierFlex":3.33,"moe2D_PEOE_PC.":0.3252,"moe2D_PEOE_PC..1":-0.3252,"moe2D_PEOE_RPC.":0.1988,"moe2D_PEOE_RPC..1":0.2566,"moe2D_PEOE_VSA.0":13.56,"moe2D_PEOE_VSA.1":12.8,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8265,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1735,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":151.9,"moe2D_PEOE_VSA_NEG":125.5,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":26.36,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.981,"moe2D_Q_PC..1":-0.981,"moe2D_Q_RPC.":0.1804,"moe2D_Q_RPC..1":0.1804,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.8265,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.1735,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":151.9,"moe2D_Q_VSA_NEG":125.5,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":26.36,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.147,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.5,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":3.647,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":10.5,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":117.4,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":1.959,"moe2D_VDistMa":6.026,"moe2D_Weight":181.4,"moe2D_a_IC":18,"moe2D_a_ICM":1.5,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":19.1,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.403,"moe2D_bpol":4.54,"moe2D_chi0":6.853,"moe2D_chi0_C":3.853,"moe2D_chi0v":6.634,"moe2D_chi0v_C":3.232,"moe2D_chi1":4.182,"moe2D_chi1_C":2.449,"moe2D_chi1v":3.433,"moe2D_chi1v_C":1.732,"moeGao_chi2_C":1.573,"moeGao_chi2v_C":0.933,"moeGao_chi3c":0.866,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.5669,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.414,"moeGao_chi3p_C":1,"moeGao_chi3pv":1.482,"moeGao_chi3pv_C":0.5,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.349,"moeGao_chi4ca_C":0.6422,"moeGao_chi4cav":1.393,"moeGao_chi4cav_C":0.2693,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.5669,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.027,"moe2D_diameter":4,"moe2D_kS_aaCH":4.902,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.687,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":16.74,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.793,"moe2D_logS":-3.588,"moe2D_mr":4.088,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":151.9,"moe2D_vdw_vol":176.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":149.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":84,"moe2D_weinerPol":9,"moe2D_zagreb":42}
{"Molecule":"13-dibromopropane","moeGao_Abra_L":3.821,"moeGao_Abra_R":0.64,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.049,"moeGao_Abra_pi":0.599,"moe2D_BCUT_PEOE_0":-2.457,"moe2D_BCUT_PEOE_1":-0.04832,"moe2D_BCUT_PEOE_2":0.03822,"moe2D_BCUT_PEOE_3":2.443,"moe2D_BCUT_SLOGP_0":-2.421,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.5664,"moe2D_BCUT_SLOGP_3":2.522,"moe2D_BCUT_SMR_0":-2.192,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.606,"moe2D_BCUT_SMR_3":2.737,"moe2D_GCUT_PEOE_0":-0.7559,"moe2D_GCUT_PEOE_1":-0.2077,"moe2D_GCUT_PEOE_2":-0.1218,"moe2D_GCUT_PEOE_3":1.771,"moe2D_GCUT_SLOGP_0":-0.7746,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.2872,"moe2D_GCUT_SLOGP_3":1.931,"moe2D_GCUT_SMR_0":-0.5029,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.35,"moe2D_GCUT_SMR_3":2.087,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":12.67,"moe2D_KierA2":12.84,"moe2D_KierA3":17.6,"moe2D_KierFlex":32.52,"moe2D_PEOE_PC.":0.2173,"moe2D_PEOE_PC..1":-0.2173,"moe2D_PEOE_RPC.":0.1759,"moe2D_PEOE_RPC..1":0.4222,"moe2D_PEOE_VSA.0":43.08,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":87.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6901,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3099,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":139,"moe2D_PEOE_VSA_NEG":95.95,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":43.08,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.46,"moe2D_Q_PC..1":-0.46,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.2467,"moe2D_Q_VSA_FNEG":0.6275,"moe2D_Q_VSA_FPNEG":0.6275,"moe2D_Q_VSA_FPOL":0.7533,"moe2D_Q_VSA_FPOS":0.3725,"moe2D_Q_VSA_FPPOS":0.1258,"moe2D_Q_VSA_HYD":34.29,"moe2D_Q_VSA_NEG":87.25,"moe2D_Q_VSA_PNEG":87.25,"moe2D_Q_VSA_POL":104.7,"moe2D_Q_VSA_POS":51.78,"moe2D_Q_VSA_PPOS":17.49,"moe2D_SMR":3.22,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":37.48,"moe2D_SMR_VSA7":91.91,"moe2D_SlogP":2.166,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":37.48,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":91.91,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":201.9,"moe2D_a_IC":15.79,"moe2D_a_ICM":1.435,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":11,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":5,"moe2D_a_nBr":2,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":15.38,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":10,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.191,"moe2D_bpol":9.139,"moe2D_chi0":4.121,"moe2D_chi0_C":2.121,"moe2D_chi0v":6.049,"moe2D_chi0v_C":2.121,"moe2D_chi1":2.414,"moe2D_chi1_C":1,"moe2D_chi1v":3.777,"moe2D_chi1v_C":1,"moeGao_chi2_C":0.3536,"moeGao_chi2v_C":0.3536,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0,"moeGao_chi3pv":1.389,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":1.364,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.391,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":6.559,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":3.441,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.252,"moe2D_logS":-1.979,"moe2D_mr":3.069,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":139,"moe2D_vdw_vol":145.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":134.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"13-dichloropropane","moeGao_Abra_L":2.965,"moeGao_Abra_R":0.294,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.071,"moeGao_Abra_pi":0.441,"moe2D_BCUT_PEOE_0":-2.448,"moe2D_BCUT_PEOE_1":-0.06899,"moe2D_BCUT_PEOE_2":0.04298,"moe2D_BCUT_PEOE_3":2.452,"moe2D_BCUT_SLOGP_0":-2.427,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.4805,"moe2D_BCUT_SLOGP_3":2.504,"moe2D_BCUT_SMR_0":-2.206,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.4211,"moe2D_BCUT_SMR_3":2.704,"moe2D_GCUT_PEOE_0":-0.7461,"moe2D_GCUT_PEOE_1":-0.2273,"moe2D_GCUT_PEOE_2":-0.117,"moe2D_GCUT_PEOE_3":1.777,"moe2D_GCUT_SLOGP_0":-0.7775,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.2475,"moe2D_GCUT_SLOGP_3":1.895,"moe2D_GCUT_SMR_0":-0.5055,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.2371,"moe2D_GCUT_SMR_3":2.029,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":8.914,"moe2D_KierA2":8.351,"moe2D_KierA3":10.41,"moe2D_KierFlex":14.89,"moe2D_PEOE_PC.":0.2768,"moe2D_PEOE_PC..1":-0.2768,"moe2D_PEOE_RPC.":0.1553,"moe2D_PEOE_RPC..1":0.4529,"moe2D_PEOE_VSA.0":47.62,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":59.16,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.5877,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.4123,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":115.5,"moe2D_PEOE_VSA_NEG":67.87,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":47.62,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.58,"moe2D_Q_PC..1":-0.58,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.297,"moe2D_Q_VSA_FNEG":0.5123,"moe2D_Q_VSA_FPNEG":0.5123,"moe2D_Q_VSA_FPOL":0.703,"moe2D_Q_VSA_FPOS":0.4877,"moe2D_Q_VSA_FPPOS":0.1907,"moe2D_Q_VSA_HYD":34.29,"moe2D_Q_VSA_NEG":59.16,"moe2D_Q_VSA_PNEG":59.16,"moe2D_Q_VSA_POL":81.19,"moe2D_Q_VSA_POS":56.32,"moe2D_Q_VSA_PPOS":22.03,"moe2D_SMR":2.606,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":38.37,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":1.854,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":38.37,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":78.3,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":113,"moe2D_a_IC":15.79,"moe2D_a_ICM":1.435,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":11,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":13.64,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":10,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.191,"moe2D_bpol":7.399,"moe2D_chi0":4.121,"moe2D_chi0_C":2.121,"moe2D_chi0v":4.389,"moe2D_chi0v_C":2.121,"moe2D_chi1":2.414,"moe2D_chi1_C":1,"moe2D_chi1v":2.604,"moe2D_chi1v_C":1,"moeGao_chi2_C":0.3536,"moeGao_chi2v_C":0.3536,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.8018,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.4546,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9487,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":10.43,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":2.288,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.84,"moe2D_logS":-1.323,"moe2D_mr":2.59,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":115.5,"moe2D_vdw_vol":119.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":111.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"14-bis(chloromethyl)benzene","moeGao_Abra_L":5.59,"moeGao_Abra_R":0.926,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.115,"moeGao_Abra_pi":0.843,"moe2D_BCUT_PEOE_0":-2.307,"moe2D_BCUT_PEOE_1":-0.265,"moe2D_BCUT_PEOE_2":0.2646,"moe2D_BCUT_PEOE_3":2.285,"moe2D_BCUT_SLOGP_0":-2.114,"moe2D_BCUT_SLOGP_1":-0.09736,"moe2D_BCUT_SLOGP_2":0.6157,"moe2D_BCUT_SLOGP_3":2.492,"moe2D_BCUT_SMR_0":-2,"moe2D_BCUT_SMR_1":-0.09615,"moe2D_BCUT_SMR_2":0.5877,"moe2D_BCUT_SMR_3":2.598,"moe2D_GCUT_PEOE_0":-0.7512,"moe2D_GCUT_PEOE_1":-0.2924,"moe2D_GCUT_PEOE_2":-0.04817,"moe2D_GCUT_PEOE_3":2.079,"moe2D_GCUT_SLOGP_0":-0.5619,"moe2D_GCUT_SLOGP_1":-0.1442,"moe2D_GCUT_SLOGP_2":0.2917,"moe2D_GCUT_SLOGP_3":2.281,"moe2D_GCUT_SMR_0":-0.4443,"moe2D_GCUT_SMR_1":-0.1082,"moe2D_GCUT_SMR_2":0.2551,"moe2D_GCUT_SMR_3":2.389,"moe2D_Kier1":8.1,"moe2D_Kier2":4,"moe2D_Kier3":2.286,"moe2D_KierA1":8.449,"moe2D_KierA2":4.193,"moe2D_KierA3":2.406,"moe2D_KierFlex":3.543,"moe2D_PEOE_PC.":0.5349,"moe2D_PEOE_PC..1":-0.5349,"moe2D_PEOE_RPC.":0.116,"moe2D_PEOE_RPC..1":0.2251,"moe2D_PEOE_VSA.0":39.09,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":4.417,"moe2D_PEOE_VSA.1.1":49.02,"moe2D_PEOE_VSA.2.1":59.16,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6673,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3327,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":168.7,"moe2D_PEOE_VSA_NEG":112.6,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":56.15,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.467,"moe2D_Q_PC..1":-1.467,"moe2D_Q_RPC.":0.2955,"moe2D_Q_RPC..1":0.1977,"moe2D_Q_VSA_FHYD":0.5189,"moe2D_Q_VSA_FNEG":0.6673,"moe2D_Q_VSA_FPNEG":0.3506,"moe2D_Q_VSA_FPOL":0.4811,"moe2D_Q_VSA_FPOS":0.3327,"moe2D_Q_VSA_FPPOS":0.1305,"moe2D_Q_VSA_HYD":87.56,"moe2D_Q_VSA_NEG":112.6,"moe2D_Q_VSA_PNEG":59.16,"moe2D_Q_VSA_POL":81.19,"moe2D_Q_VSA_POS":56.15,"moe2D_Q_VSA_PPOS":22.03,"moe2D_SMR":4.597,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":108.9,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":3.697,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":116.7,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.457,"moe2D_VDistMa":6.287,"moe2D_Weight":175.1,"moe2D_a_IC":25.06,"moe2D_a_ICM":1.392,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":18,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":23.77,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.2,"moe2D_b_ar":6,"moe2D_b_count":18,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":2,"moe2D_b_rotR":0.2,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2.214,"moe2D_bpol":9.586,"moe2D_chi0":7.397,"moe2D_chi0_C":5.397,"moe2D_chi0v":6.991,"moe2D_chi0v_C":4.724,"moe2D_chi1":4.864,"moe2D_chi1_C":3.449,"moe2D_chi1v":4.132,"moe2D_chi1v_C":2.528,"moeGao_chi2_C":2.887,"moeGao_chi2v_C":1.816,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0.4082,"moeGao_chi3cv":0.2357,"moeGao_chi3cv_C":0.2357,"moeGao_chi3p":3.121,"moeGao_chi3p_C":1.966,"moeGao_chi3pv":1.949,"moeGao_chi3pv_C":1.023,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.048,"moeGao_chi4ca_C":1.231,"moeGao_chi4cav":1.074,"moeGao_chi4cav_C":0.5393,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.9856,"moeGao_chi4pc_C":0.5774,"moeGao_chi4pcv":0.5394,"moeGao_chi4pcv_C":0.2722,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.835,"moe2D_diameter":7,"moe2D_kS_aaCH":7.963,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.27,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":11.18,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.144,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.358,"moe2D_logS":-2.863,"moe2D_mr":4.624,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":168.7,"moe2D_vdw_vol":209.6,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":163.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":125,"moe2D_weinerPol":11,"moe2D_zagreb":44}
{"Molecule":"14-dibromobenzene","moeGao_Abra_L":5.448,"moeGao_Abra_R":1.272,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.07,"moeGao_Abra_pi":1.001,"moe2D_BCUT_PEOE_0":-2.124,"moe2D_BCUT_PEOE_1":-0.6574,"moe2D_BCUT_PEOE_2":0.6767,"moe2D_BCUT_PEOE_3":2.092,"moe2D_BCUT_SLOGP_0":-1.912,"moe2D_BCUT_SLOGP_1":-0.3535,"moe2D_BCUT_SLOGP_2":0.9433,"moe2D_BCUT_SLOGP_3":2.336,"moe2D_BCUT_SMR_0":-1.783,"moe2D_BCUT_SMR_1":-0.3047,"moe2D_BCUT_SMR_2":0.9984,"moe2D_BCUT_SMR_3":2.461,"moe2D_GCUT_PEOE_0":-0.7295,"moe2D_GCUT_PEOE_1":-0.3937,"moe2D_GCUT_PEOE_2":0.04798,"moe2D_GCUT_PEOE_3":1.814,"moe2D_GCUT_SLOGP_0":-0.5339,"moe2D_GCUT_SLOGP_1":-0.154,"moe2D_GCUT_SLOGP_2":0.4662,"moe2D_GCUT_SLOGP_3":2.074,"moe2D_GCUT_SMR_0":-0.3956,"moe2D_GCUT_SMR_1":-0.112,"moe2D_GCUT_SMR_2":0.5326,"moe2D_GCUT_SMR_3":2.188,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":8.3,"moe2D_KierA2":3.575,"moe2D_KierA3":2.656,"moe2D_KierFlex":3.709,"moe2D_PEOE_PC.":0.2874,"moe2D_PEOE_PC..1":-0.2874,"moe2D_PEOE_RPC.":0.2188,"moe2D_PEOE_RPC..1":0.175,"moe2D_PEOE_VSA.0":4.504,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":87.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8634,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1366,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":157.8,"moe2D_PEOE_VSA_NEG":136.3,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":21.57,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.822,"moe2D_Q_PC..1":-0.822,"moe2D_Q_RPC.":0.1825,"moe2D_Q_RPC..1":0.1825,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.8634,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.1366,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":157.8,"moe2D_Q_VSA_NEG":136.3,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":21.57,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.184,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":6.11,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":91.91,"moe2D_SlogP":3.212,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":6.11,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":91.91,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.991,"moe2D_VDistMa":5.649,"moe2D_Weight":235.9,"moe2D_a_IC":17.51,"moe2D_a_ICM":1.459,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":2,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":19.33,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.265,"moe2D_bpol":6.953,"moe2D_chi0":5.983,"moe2D_chi0_C":3.983,"moe2D_chi0v":7.237,"moe2D_chi0v_C":3.309,"moe2D_chi1":3.788,"moe2D_chi1_C":2.633,"moe2D_chi1v":3.785,"moe2D_chi1v_C":1.821,"moeGao_chi2_C":1.732,"moeGao_chi2v_C":1,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.6547,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.305,"moeGao_chi3p_C":1.15,"moeGao_chi3pv":1.861,"moeGao_chi3pv_C":0.5516,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.427,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.9582,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.7559,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.263,"moe2D_diameter":5,"moe2D_kS_aaCH":7.961,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":2.224,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":6.649,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.502,"moe2D_logS":-3.566,"moe2D_mr":4.165,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":157.8,"moe2D_vdw_vol":186.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":155,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":62,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"14-dichlorobutane(butane1-4-dichloro)","moeGao_Abra_L":3.464,"moeGao_Abra_R":0.294,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.071,"moeGao_Abra_pi":0.441,"moe2D_BCUT_PEOE_0":-2.542,"moe2D_BCUT_PEOE_1":-0.069,"moe2D_BCUT_PEOE_2":0.04294,"moe2D_BCUT_PEOE_3":2.523,"moe2D_BCUT_SLOGP_0":-2.472,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.479,"moe2D_BCUT_SLOGP_3":2.615,"moe2D_BCUT_SMR_0":-2.298,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.4202,"moe2D_BCUT_SMR_3":2.774,"moe2D_GCUT_PEOE_0":-0.7693,"moe2D_GCUT_PEOE_1":-0.2272,"moe2D_GCUT_PEOE_2":-0.1171,"moe2D_GCUT_PEOE_3":1.948,"moe2D_GCUT_SLOGP_0":-0.7591,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.2351,"moe2D_GCUT_SLOGP_3":2.074,"moe2D_GCUT_SMR_0":-0.5192,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.2284,"moe2D_GCUT_SMR_3":2.189,"moe2D_Kier1":6,"moe2D_Kier2":5,"moe2D_Kier3":5.333,"moe2D_KierA1":9.662,"moe2D_KierA2":8.914,"moe2D_KierA3":10.49,"moe2D_KierFlex":14.36,"moe2D_PEOE_PC.":0.3278,"moe2D_PEOE_PC..1":-0.3278,"moe2D_PEOE_RPC.":0.131,"moe2D_PEOE_RPC..1":0.3826,"moe2D_PEOE_VSA.0":56.15,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":59.16,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.5769,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.4231,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":132.7,"moe2D_PEOE_VSA_NEG":76.57,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":56.15,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.58,"moe2D_Q_PC..1":-0.58,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.3882,"moe2D_Q_VSA_FNEG":0.4458,"moe2D_Q_VSA_FPNEG":0.4458,"moe2D_Q_VSA_FPOL":0.6118,"moe2D_Q_VSA_FPOS":0.5542,"moe2D_Q_VSA_FPPOS":0.166,"moe2D_Q_VSA_HYD":51.53,"moe2D_Q_VSA_NEG":59.16,"moe2D_Q_VSA_PNEG":59.16,"moe2D_Q_VSA_POL":81.19,"moe2D_Q_VSA_POS":73.55,"moe2D_Q_VSA_PPOS":22.03,"moe2D_SMR":3.067,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":38.37,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":2.244,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":38.37,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":78.3,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":2.149,"moe2D_VDistMa":4.704,"moe2D_Weight":127,"moe2D_a_IC":19.3,"moe2D_a_ICM":1.379,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":16.73,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.6,"moe2D_b_ar":0,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":5,"moe2D_b_rotN":3,"moe2D_b_rotR":0.6,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.339,"moe2D_bpol":9.586,"moe2D_chi0":4.828,"moe2D_chi0_C":2.828,"moe2D_chi0v":5.096,"moe2D_chi0v_C":2.828,"moe2D_chi1":2.914,"moe2D_chi1_C":1.5,"moe2D_chi1v":3.104,"moe2D_chi1v_C":1.5,"moeGao_chi2_C":0.7071,"moeGao_chi2v_C":0.7071,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.9571,"moeGao_chi3p_C":0.25,"moeGao_chi3pv":1.052,"moeGao_chi3pv_C":0.25,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.5,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.5669,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.885,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":10.64,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":3.579,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.282,"moe2D_logS":-1.525,"moe2D_mr":3.061,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":132.7,"moe2D_vdw_vol":143.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":127,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":35,"moe2D_weinerPol":3,"moe2D_zagreb":18}
{"Molecule":"14-dimethoxybenzene","moeGao_Abra_L":3.896,"moeGao_Abra_R":0.672,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.106,"moeGao_Abra_pi":0.529,"moe2D_BCUT_PEOE_0":-2.28,"moe2D_BCUT_PEOE_1":-0.5865,"moe2D_BCUT_PEOE_2":0.4789,"moe2D_BCUT_PEOE_3":2.22,"moe2D_BCUT_SLOGP_0":-2.262,"moe2D_BCUT_SLOGP_1":-0.5051,"moe2D_BCUT_SLOGP_2":0.6207,"moe2D_BCUT_SLOGP_3":2.395,"moe2D_BCUT_SMR_0":-1.993,"moe2D_BCUT_SMR_1":-0.3586,"moe2D_BCUT_SMR_2":0.7135,"moe2D_BCUT_SMR_3":2.514,"moe2D_GCUT_PEOE_0":-0.7918,"moe2D_GCUT_PEOE_1":-0.4012,"moe2D_GCUT_PEOE_2":-0.05739,"moe2D_GCUT_PEOE_3":2.044,"moe2D_GCUT_SLOGP_0":-0.887,"moe2D_GCUT_SLOGP_1":-0.2953,"moe2D_GCUT_SLOGP_2":0.1224,"moe2D_GCUT_SLOGP_3":2.223,"moe2D_GCUT_SMR_0":-0.4842,"moe2D_GCUT_SMR_1":-0.203,"moe2D_GCUT_SMR_2":0.1239,"moe2D_GCUT_SMR_3":2.327,"moe2D_Kier1":8.1,"moe2D_Kier2":4,"moe2D_Kier3":2.286,"moe2D_KierA1":6.23,"moe2D_KierA2":2.976,"moe2D_KierA3":1.654,"moe2D_KierFlex":1.854,"moe2D_PEOE_PC.":0.8128,"moe2D_PEOE_PC..1":-0.8128,"moe2D_PEOE_RPC.":0.09346,"moe2D_PEOE_RPC..1":0.428,"moe2D_PEOE_VSA.0":50,"moe2D_PEOE_VSA.1":59.57,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.9694,"moe2D_PEOE_VSA_FNEG":0.3303,"moe2D_PEOE_VSA_FPNEG":0.03061,"moe2D_PEOE_VSA_FPOL":0.03061,"moe2D_PEOE_VSA_FPOS":0.6697,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":158.6,"moe2D_PEOE_VSA_NEG":54.03,"moe2D_PEOE_VSA_PNEG":5.008,"moe2D_PEOE_VSA_POL":5.008,"moe2D_PEOE_VSA_POS":109.6,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.325,"moe2D_Q_PC..1":-1.325,"moe2D_Q_RPC.":0.2113,"moe2D_Q_RPC..1":0.2736,"moe2D_Q_VSA_FHYD":0.6638,"moe2D_Q_VSA_FNEG":0.3303,"moe2D_Q_VSA_FPNEG":0.03061,"moe2D_Q_VSA_FPOL":0.3362,"moe2D_Q_VSA_FPOS":0.6697,"moe2D_Q_VSA_FPPOS":0.3056,"moe2D_Q_VSA_HYD":108.6,"moe2D_Q_VSA_NEG":54.03,"moe2D_Q_VSA_PNEG":5.008,"moe2D_Q_VSA_POL":55,"moe2D_Q_VSA_POS":109.6,"moe2D_Q_VSA_PPOS":50,"moe2D_SMR":3.955,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":22,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.49,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":70.77,"moe2D_SlogP":1.704,"moe2D_SlogP_VSA0":22,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":70.77,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":10.49,"moe2D_TPSA":18.46,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.457,"moe2D_VDistMa":6.287,"moe2D_Weight":138.2,"moe2D_a_IC":27.22,"moe2D_a_ICM":1.361,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":20,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":22.35,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.2,"moe2D_b_ar":6,"moe2D_b_count":20,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":2,"moe2D_b_rotR":0.2,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.214,"moe2D_bpol":14.76,"moe2D_chi0":7.397,"moe2D_chi0_C":5.983,"moe2D_chi0v":6.126,"moe2D_chi0v_C":5.309,"moe2D_chi1":4.864,"moe2D_chi1_C":2.633,"moe2D_chi1v":3.046,"moe2D_chi1v_C":1.821,"moeGao_chi2_C":1.732,"moeGao_chi2v_C":1,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1361,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.121,"moeGao_chi3p_C":1.15,"moeGao_chi3pv":1.295,"moeGao_chi3pv_C":0.5516,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.048,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.7118,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.9856,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2932,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6941,"moe2D_diameter":7,"moe2D_kS_aaCH":7.44,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.696,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.281,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":9.916,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.818,"moe2D_logS":-1.486,"moe2D_mr":4.04,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":163.6,"moe2D_vdw_vol":199.1,"moe2D_vsa_acc":5.008,"moe2D_vsa_don":0,"moe2D_vsa_hyd":151.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.008,"moe2D_weinerPath":125,"moe2D_weinerPol":11,"moe2D_zagreb":44}
{"Molecule":"14-dioxane","moeGao_Abra_L":2.844,"moeGao_Abra_R":0.274,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.733,"moeGao_Abra_pi":0.647,"moe2D_BCUT_PEOE_0":-2.588,"moe2D_BCUT_PEOE_1":-0.1597,"moe2D_BCUT_PEOE_2":0.05826,"moe2D_BCUT_PEOE_3":2.555,"moe2D_BCUT_SLOGP_0":-2.682,"moe2D_BCUT_SLOGP_1":0.02601,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.45,"moe2D_BCUT_SMR_0":-2.352,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1071,"moe2D_BCUT_SMR_3":2.775,"moe2D_GCUT_PEOE_0":-0.801,"moe2D_GCUT_PEOE_1":-0.3368,"moe2D_GCUT_PEOE_2":-0.1017,"moe2D_GCUT_PEOE_3":2.008,"moe2D_GCUT_SLOGP_0":-0.8819,"moe2D_GCUT_SLOGP_1":-0.1943,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.95,"moe2D_GCUT_SMR_0":-0.5141,"moe2D_GCUT_SMR_1":-0.1025,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.207,"moe2D_Kier1":4.167,"moe2D_Kier2":2.222,"moe2D_Kier3":1.333,"moe2D_KierA1":4.167,"moe2D_KierA2":2.222,"moe2D_KierA3":1.333,"moe2D_KierFlex":1.543,"moe2D_PEOE_PC.":0.7505,"moe2D_PEOE_PC..1":-0.7505,"moe2D_PEOE_RPC.":0.09474,"moe2D_PEOE_RPC..1":0.5,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":93.93,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.9494,"moe2D_PEOE_VSA_FNEG":0.05061,"moe2D_PEOE_VSA_FPNEG":0.05061,"moe2D_PEOE_VSA_FPOL":0.05061,"moe2D_PEOE_VSA_FPOS":0.9494,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":93.93,"moe2D_PEOE_VSA_NEG":5.008,"moe2D_PEOE_VSA_PNEG":5.008,"moe2D_PEOE_VSA_POL":5.008,"moe2D_PEOE_VSA_POS":93.93,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.12,"moe2D_Q_PC..1":-1.12,"moe2D_Q_RPC.":0.25,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.3449,"moe2D_Q_VSA_FNEG":0.05061,"moe2D_Q_VSA_FPNEG":0.05061,"moe2D_Q_VSA_FPOL":0.6551,"moe2D_Q_VSA_FPOS":0.9494,"moe2D_Q_VSA_FPPOS":0.6045,"moe2D_Q_VSA_HYD":34.12,"moe2D_Q_VSA_NEG":5.008,"moe2D_Q_VSA_PNEG":5.008,"moe2D_Q_VSA_POL":64.81,"moe2D_Q_VSA_POS":93.93,"moe2D_Q_VSA_PPOS":59.81,"moe2D_SMR":2.164,"moe2D_SMR_VSA0":22,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":83.71,"moe2D_SMR_VSA7":0,"moe2D_SlogP":0.0332,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":22,"moe2D_SlogP_VSA3":83.71,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":18.46,"moe2D_VAdjEq":0.9183,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.782,"moe2D_Weight":88.11,"moe2D_a_IC":19.3,"moe2D_a_ICM":1.379,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":13.98,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2,"moe2D_bpol":12.58,"moe2D_chi0":4.243,"moe2D_chi0_C":2.828,"moe2D_chi0v":3.645,"moe2D_chi0v_C":2.828,"moe2D_chi1":3,"moe2D_chi1_C":1,"moe2D_chi1v":2.155,"moe2D_chi1v_C":1,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.744,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.061,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.4398,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7401,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":3.111,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":9.889,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.226,"moe2D_logS":-0.02466,"moe2D_mr":2.273,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0,"moe2D_petitjeanSC":0,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":98.94,"moe2D_vdw_vol":119,"moe2D_vsa_acc":5.008,"moe2D_vsa_don":0,"moe2D_vsa_hyd":88.23,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.008,"moe2D_weinerPath":27,"moe2D_weinerPol":3,"moe2D_zagreb":24}
{"Molecule":"15-dichloropentane","moeGao_Abra_L":3.963,"moeGao_Abra_R":0.294,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.071,"moeGao_Abra_pi":0.441,"moe2D_BCUT_PEOE_0":-2.601,"moe2D_BCUT_PEOE_1":-0.069,"moe2D_BCUT_PEOE_2":0.04294,"moe2D_BCUT_PEOE_3":2.566,"moe2D_BCUT_SLOGP_0":-2.5,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.4788,"moe2D_BCUT_SLOGP_3":2.684,"moe2D_BCUT_SMR_0":-2.355,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.4201,"moe2D_BCUT_SMR_3":2.818,"moe2D_GCUT_PEOE_0":-0.7831,"moe2D_GCUT_PEOE_1":-0.2271,"moe2D_GCUT_PEOE_2":-0.1171,"moe2D_GCUT_PEOE_3":2.08,"moe2D_GCUT_SLOGP_0":-0.7632,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.2288,"moe2D_GCUT_SLOGP_3":2.213,"moe2D_GCUT_SMR_0":-0.5257,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.2244,"moe2D_GCUT_SMR_3":2.314,"moe2D_Kier1":7,"moe2D_Kier2":6,"moe2D_Kier3":6,"moe2D_KierA1":10.5,"moe2D_KierA2":9.662,"moe2D_KierA3":10.42,"moe2D_KierFlex":14.49,"moe2D_PEOE_PC.":0.3808,"moe2D_PEOE_PC..1":-0.3808,"moe2D_PEOE_RPC.":0.1128,"moe2D_PEOE_RPC..1":0.3294,"moe2D_PEOE_VSA.0":64.68,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":8.701,"moe2D_PEOE_VSA.2.1":59.16,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.5687,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.4313,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":149.9,"moe2D_PEOE_VSA_NEG":85.27,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":64.68,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.58,"moe2D_Q_PC..1":-0.58,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.4585,"moe2D_Q_VSA_FNEG":0.3946,"moe2D_Q_VSA_FPNEG":0.3946,"moe2D_Q_VSA_FPOL":0.5415,"moe2D_Q_VSA_FPOS":0.6054,"moe2D_Q_VSA_FPPOS":0.1469,"moe2D_Q_VSA_HYD":68.76,"moe2D_Q_VSA_NEG":59.16,"moe2D_Q_VSA_PNEG":59.16,"moe2D_Q_VSA_POL":81.19,"moe2D_Q_VSA_POS":90.78,"moe2D_Q_VSA_PPOS":22.03,"moe2D_SMR":3.529,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":56.61,"moe2D_SMR_VSA6":38.37,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":2.634,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":38.37,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":56.61,"moe2D_SlogP_VSA9":78.3,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":2.398,"moe2D_VDistMa":5.169,"moe2D_Weight":141,"moe2D_a_IC":22.66,"moe2D_a_ICM":1.333,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":17,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":19.83,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.6667,"moe2D_b_ar":0,"moe2D_b_count":16,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":4,"moe2D_b_rotR":0.6667,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":2.447,"moe2D_bpol":11.77,"moe2D_chi0":5.536,"moe2D_chi0_C":3.536,"moe2D_chi0v":5.803,"moe2D_chi0v_C":3.536,"moe2D_chi1":3.414,"moe2D_chi1_C":2,"moe2D_chi1v":3.604,"moe2D_chi1v_C":2,"moeGao_chi2_C":1.061,"moeGao_chi2v_C":1.061,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.207,"moeGao_chi3p_C":0.5,"moeGao_chi3pv":1.302,"moeGao_chi3pv_C":0.5,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6768,"moeGao_chi4ca_C":0.1768,"moeGao_chi4cav":0.7437,"moeGao_chi4cav_C":0.1768,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8398,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":10.79,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":4.934,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.724,"moe2D_logS":-1.726,"moe2D_mr":3.529,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":149.9,"moe2D_vdw_vol":168,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":142.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":56,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"18-epoxy-p-menthane(eucalyptol)","moeGao_Abra_L":4.833,"moeGao_Abra_R":0.412,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.508,"moeGao_Abra_pi":0.415,"moe2D_BCUT_PEOE_0":-2.915,"moe2D_BCUT_PEOE_1":0.02573,"moe2D_BCUT_PEOE_2":0.03947,"moe2D_BCUT_PEOE_3":2.878,"moe2D_BCUT_SLOGP_0":-2.874,"moe2D_BCUT_SLOGP_1":0.03589,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.934,"moe2D_BCUT_SMR_0":-2.667,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1504,"moe2D_BCUT_SMR_3":3.122,"moe2D_GCUT_PEOE_0":-0.8092,"moe2D_GCUT_PEOE_1":-0.1956,"moe2D_GCUT_PEOE_2":-0.1307,"moe2D_GCUT_PEOE_3":2.769,"moe2D_GCUT_SLOGP_0":-0.8263,"moe2D_GCUT_SLOGP_1":-0.1796,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.842,"moe2D_GCUT_SMR_0":-0.5295,"moe2D_GCUT_SMR_1":-0.07806,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.984,"moe2D_Kier1":7.639,"moe2D_Kier2":2.025,"moe2D_Kier3":1.111,"moe2D_KierA1":7.639,"moe2D_KierA2":2.025,"moe2D_KierA3":1.111,"moe2D_KierFlex":1.406,"moe2D_PEOE_PC.":0.6244,"moe2D_PEOE_PC..1":-0.6244,"moe2D_PEOE_RPC.":0.1081,"moe2D_PEOE_RPC..1":0.5886,"moe2D_PEOE_VSA.0":76.78,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":91.05,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.9853,"moe2D_PEOE_VSA_FNEG":0.5492,"moe2D_PEOE_VSA_FPNEG":0.0147,"moe2D_PEOE_VSA_FPOL":0.0147,"moe2D_PEOE_VSA_FPOS":0.4508,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":167.8,"moe2D_PEOE_VSA_NEG":93.55,"moe2D_PEOE_VSA_PNEG":2.504,"moe2D_PEOE_VSA_POL":2.504,"moe2D_PEOE_VSA_POS":76.78,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.56,"moe2D_Q_PC..1":-0.56,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.9853,"moe2D_Q_VSA_FNEG":0.0147,"moe2D_Q_VSA_FPNEG":0.0147,"moe2D_Q_VSA_FPOL":0.0147,"moe2D_Q_VSA_FPOS":0.9853,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":167.8,"moe2D_Q_VSA_NEG":2.504,"moe2D_Q_VSA_PNEG":2.504,"moe2D_Q_VSA_POL":2.504,"moe2D_Q_VSA_POS":167.8,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.553,"moe2D_SMR_VSA0":11,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":4.411,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":2.744,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":4.411,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":9.23,"moe2D_VAdjEq":0.7186,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":1.907,"moe2D_VDistMa":6.656,"moe2D_Weight":154.3,"moe2D_a_IC":32.6,"moe2D_a_ICM":1.124,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":29,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":18,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":30.4,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":30,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":30,"moe2D_b_triple":0,"moe2D_balabanJ":2.224,"moe2D_bpol":21.59,"moe2D_chi0":8.113,"moe2D_chi0_C":7.406,"moe2D_chi0v":7.814,"moe2D_chi0v_C":7.406,"moe2D_chi1":5.019,"moe2D_chi1_C":4.312,"moe2D_chi1v":4.721,"moe2D_chi1v_C":4.312,"moeGao_chi2_C":3.809,"moeGao_chi2v_C":3.809,"moeGao_chi3c":2.122,"moeGao_chi3c_C":0.683,"moeGao_chi3cv":1.514,"moeGao_chi3cv_C":0.683,"moeGao_chi3p":4.18,"moeGao_chi3p_C":2.656,"moeGao_chi3pv":3.536,"moeGao_chi3pv_C":2.656,"moeGao_chi4c":0.3809,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.517,"moeGao_chi4ca_C":1.688,"moeGao_chi4cav":2.744,"moeGao_chi4cav_C":1.688,"moeGao_chi4cv":0.2199,"moeGao_chi4cv_C":0,"moeGao_chi4pc":3.257,"moeGao_chi4pc_C":1.255,"moeGao_chi4pcv":2.411,"moeGao_chi4pcv_C":1.255,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6399,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.757,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":5.315,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":6.06,"moe2D_kS_sssCH":0.8234,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0.3785,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.956,"moe2D_logS":-1.896,"moe2D_mr":4.53,"moe2D_opr_brigid":9,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":170.3,"moe2D_vdw_vol":241.1,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":153.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":2.504,"moe2D_weinerPath":128,"moe2D_weinerPol":16,"moe2D_zagreb":64}
{"Molecule":"19-decadiene","moeGao_Abra_L":4.55,"moeGao_Abra_R":0.294,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.131,"moeGao_Abra_pi":0.207,"moe2D_BCUT_PEOE_0":-2.667,"moe2D_BCUT_PEOE_1":-0.658,"moe2D_BCUT_PEOE_2":0.6866,"moe2D_BCUT_PEOE_3":2.6,"moe2D_BCUT_SLOGP_0":-2.494,"moe2D_BCUT_SLOGP_1":-0.5414,"moe2D_BCUT_SLOGP_2":0.801,"moe2D_BCUT_SLOGP_3":2.773,"moe2D_BCUT_SMR_0":-2.412,"moe2D_BCUT_SMR_1":-0.5156,"moe2D_BCUT_SMR_2":0.8281,"moe2D_BCUT_SMR_3":2.857,"moe2D_GCUT_PEOE_0":-0.7989,"moe2D_GCUT_PEOE_1":-0.388,"moe2D_GCUT_PEOE_2":0.101,"moe2D_GCUT_PEOE_3":2.332,"moe2D_GCUT_SLOGP_0":-0.6171,"moe2D_GCUT_SLOGP_1":-0.2528,"moe2D_GCUT_SLOGP_2":0.1991,"moe2D_GCUT_SLOGP_3":2.491,"moe2D_GCUT_SMR_0":-0.5308,"moe2D_GCUT_SMR_1":-0.2059,"moe2D_GCUT_SMR_2":0.2185,"moe2D_GCUT_SMR_3":2.564,"moe2D_Kier1":10,"moe2D_Kier2":9,"moe2D_Kier3":9.143,"moe2D_KierA1":8.416,"moe2D_KierA2":7.413,"moe2D_KierA3":7.399,"moe2D_KierFlex":6.239,"moe2D_PEOE_PC.":0.6623,"moe2D_PEOE_PC..1":-0.6623,"moe2D_PEOE_RPC.":0.08551,"moe2D_PEOE_RPC..1":0.155,"moe2D_PEOE_VSA.0":51.18,"moe2D_PEOE_VSA.1":25.59,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":34.81,"moe2D_PEOE_VSA.1.1":41.91,"moe2D_PEOE_VSA.2.1":44.6,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6124,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3876,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":198.1,"moe2D_PEOE_VSA_NEG":121.3,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":76.78,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.176,"moe2D_Q_PC..1":-1.176,"moe2D_Q_RPC.":0.1275,"moe2D_Q_RPC..1":0.255,"moe2D_Q_VSA_FHYD":0.6511,"moe2D_Q_VSA_FNEG":0.3489,"moe2D_Q_VSA_FPNEG":0.3489,"moe2D_Q_VSA_FPOL":0.3489,"moe2D_Q_VSA_FPOS":0.6511,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":129,"moe2D_Q_VSA_NEG":69.11,"moe2D_Q_VSA_PNEG":69.11,"moe2D_Q_VSA_POL":69.11,"moe2D_Q_VSA_POS":129,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.81,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":148.5,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":64.2,"moe2D_SlogP":3.699,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":113.2,"moe2D_SlogP_VSA9":64.2,"moe2D_TPSA":0,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.957,"moe2D_VDistMa":6.228,"moe2D_Weight":138.3,"moe2D_a_IC":26.33,"moe2D_a_ICM":0.9403,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":28,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":18,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":29.6,"moe2D_b_1rotN":7,"moe2D_b_1rotR":0.7778,"moe2D_b_ar":0,"moe2D_b_count":27,"moe2D_b_double":2,"moe2D_b_heavy":9,"moe2D_b_rotN":7,"moe2D_b_rotR":0.7778,"moe2D_b_single":25,"moe2D_b_triple":0,"moe2D_balabanJ":2.657,"moe2D_bpol":19.68,"moe2D_chi0":7.657,"moe2D_chi0_C":7.657,"moe2D_chi0v":6.812,"moe2D_chi0v_C":6.812,"moe2D_chi1":4.914,"moe2D_chi1_C":4.914,"moe2D_chi1v":4.133,"moe2D_chi1v_C":4.133,"moeGao_chi2_C":3.121,"moeGao_chi2v_C":2.569,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.957,"moeGao_chi3p_C":1.957,"moeGao_chi3pv":1.566,"moeGao_chi3pv_C":1.566,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.207,"moeGao_chi4ca_C":1.207,"moeGao_chi4cav":0.9309,"moeGao_chi4cav_C":0.9309,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5611,"moe2D_diameter":9,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":7.357,"moe2D_kS_dO":0,"moe2D_kS_dsCH":3.987,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":7.656,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":5.267,"moe2D_logS":-4.288,"moe2D_mr":4.751,"moe2D_opr_brigid":2,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":7,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":198.1,"moe2D_vdw_vol":246.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":185.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":165,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"1-(2-hydroxyethyl)piprazine-(1-piperazineethanol)","moeGao_Abra_L":4.754,"moeGao_Abra_R":0.696,"moeGao_Abra_acidity":0.452,"moeGao_Abra_basicity":1.572,"moeGao_Abra_pi":0.943,"moe2D_BCUT_PEOE_0":-2.754,"moe2D_BCUT_PEOE_1":-0.4575,"moe2D_BCUT_PEOE_2":0.462,"moe2D_BCUT_PEOE_3":2.65,"moe2D_BCUT_SLOGP_0":-2.917,"moe2D_BCUT_SLOGP_1":-0.4723,"moe2D_BCUT_SLOGP_2":0.4301,"moe2D_BCUT_SLOGP_3":2.508,"moe2D_BCUT_SMR_0":-2.47,"moe2D_BCUT_SMR_1":-0.3067,"moe2D_BCUT_SMR_2":0.5656,"moe2D_BCUT_SMR_3":2.923,"moe2D_GCUT_PEOE_0":-0.8513,"moe2D_GCUT_PEOE_1":-0.3726,"moe2D_GCUT_PEOE_2":0.05089,"moe2D_GCUT_PEOE_3":2.359,"moe2D_GCUT_SLOGP_0":-1.154,"moe2D_GCUT_SLOGP_1":-0.4307,"moe2D_GCUT_SLOGP_2":-0.01261,"moe2D_GCUT_SLOGP_3":2.261,"moe2D_GCUT_SMR_0":-0.5177,"moe2D_GCUT_SMR_1":-0.1942,"moe2D_GCUT_SMR_2":0.1122,"moe2D_GCUT_SMR_3":2.59,"moe2D_Kier1":7.111,"moe2D_Kier2":3.92,"moe2D_Kier3":2.38,"moe2D_KierA1":7.111,"moe2D_KierA2":3.92,"moe2D_KierA3":2.38,"moe2D_KierFlex":3.097,"moe2D_PEOE_PC.":1.005,"moe2D_PEOE_PC..1":-1.005,"moe2D_PEOE_RPC.":0.2084,"moe2D_PEOE_RPC..1":0.3918,"moe2D_PEOE_VSA.0":108.6,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":8.619,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.904,"moe2D_PEOE_VSA_FHYD":0.8853,"moe2D_PEOE_VSA_FNEG":0.04973,"moe2D_PEOE_VSA_FPNEG":0.04973,"moe2D_PEOE_VSA_FPOL":0.1147,"moe2D_PEOE_VSA_FPOS":0.9503,"moe2D_PEOE_VSA_FPPOS":0.06495,"moe2D_PEOE_VSA_HYD":140.7,"moe2D_PEOE_VSA_NEG":7.904,"moe2D_PEOE_VSA_PNEG":7.904,"moe2D_PEOE_VSA_POL":18.23,"moe2D_PEOE_VSA_POS":151,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":2.39,"moe2D_Q_PC..1":-2.39,"moe2D_Q_RPC.":0.1674,"moe2D_Q_RPC..1":0.3766,"moe2D_Q_VSA_FHYD":0.322,"moe2D_Q_VSA_FNEG":0.04973,"moe2D_Q_VSA_FPNEG":0.04973,"moe2D_Q_VSA_FPOL":0.678,"moe2D_Q_VSA_FPOS":0.9503,"moe2D_Q_VSA_FPPOS":0.6282,"moe2D_Q_VSA_HYD":51.18,"moe2D_Q_VSA_NEG":7.904,"moe2D_Q_VSA_PNEG":7.904,"moe2D_Q_VSA_POL":107.8,"moe2D_Q_VSA_POS":151,"moe2D_Q_VSA_PPOS":99.86,"moe2D_SMR":3.64,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":28.51,"moe2D_SMR_VSA2":18.01,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":113.1,"moe2D_SMR_VSA7":0,"moe2D_SlogP":-1.116,"moe2D_SlogP_VSA0":43.4,"moe2D_SlogP_VSA1":3.124,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":113.1,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":35.5,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.333,"moe2D_VDistMa":5.976,"moe2D_Weight":130.2,"moe2D_a_IC":33.23,"moe2D_a_ICM":1.445,"moe2D_a_acc":3,"moe2D_a_aro":0,"moe2D_a_count":23,"moe2D_a_don":2,"moe2D_a_heavy":9,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":2,"moe2D_a_nO":1,"moe2D_apol":22.9,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.2222,"moe2D_b_ar":0,"moe2D_b_count":23,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":2,"moe2D_b_rotR":0.2222,"moe2D_b_single":23,"moe2D_b_triple":0,"moe2D_balabanJ":2.078,"moe2D_bpol":17.94,"moe2D_chi0":6.527,"moe2D_chi0_C":4.243,"moe2D_chi0v":5.637,"moe2D_chi0v_C":4.243,"moe2D_chi1":4.432,"moe2D_chi1_C":1.5,"moe2D_chi1v":3.472,"moe2D_chi1v_C":1.5,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1581,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.422,"moeGao_chi3p_C":0,"moeGao_chi3pv":1.626,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.884,"moeGao_chi4ca_C":0,"moeGao_chi4cav":1.076,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.433,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.3354,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6878,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.556,"moe2D_kS_ssCH2":5.433,"moe2D_kS_ssNH":3.25,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":2.26,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-1.27,"moe2D_logS":0.7983,"moe2D_mr":3.615,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":158.9,"moe2D_vdw_vol":189.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":123.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":19.25,"moe2D_weinerPath":94,"moe2D_weinerPol":8,"moe2D_zagreb":38}
{"Molecule":"1-amino-2-propanolol-(monoisopropanolol)","moeGao_Abra_L":2.83,"moeGao_Abra_R":0.408,"moeGao_Abra_acidity":0.463,"moeGao_Abra_basicity":0.877,"moeGao_Abra_pi":0.593,"moe2D_BCUT_PEOE_0":-2.554,"moe2D_BCUT_PEOE_1":-0.3563,"moe2D_BCUT_PEOE_2":0.4666,"moe2D_BCUT_PEOE_3":2.502,"moe2D_BCUT_SLOGP_0":-2.757,"moe2D_BCUT_SLOGP_1":-0.3404,"moe2D_BCUT_SLOGP_2":0.4473,"moe2D_BCUT_SLOGP_3":2.418,"moe2D_BCUT_SMR_0":-2.303,"moe2D_BCUT_SMR_1":-0.2705,"moe2D_BCUT_SMR_2":0.5201,"moe2D_BCUT_SMR_3":2.744,"moe2D_GCUT_PEOE_0":-0.8323,"moe2D_GCUT_PEOE_1":-0.28,"moe2D_GCUT_PEOE_2":0.05171,"moe2D_GCUT_PEOE_3":1.926,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.2754,"moe2D_GCUT_SLOGP_2":0.03599,"moe2D_GCUT_SLOGP_3":1.866,"moe2D_GCUT_SMR_0":-0.5194,"moe2D_GCUT_SMR_1":-0.1716,"moe2D_GCUT_SMR_2":0.0977,"moe2D_GCUT_SMR_3":2.136,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":2.25,"moe2D_KierA3":4,"moe2D_KierFlex":2.25,"moe2D_PEOE_PC.":0.7668,"moe2D_PEOE_PC..1":-0.7668,"moe2D_PEOE_RPC.":0.2732,"moe2D_PEOE_RPC..1":0.5131,"moe2D_PEOE_VSA.0":20.21,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":14.42,"moe2D_PEOE_VSA_FHYD":0.763,"moe2D_PEOE_VSA_FNEG":0.3176,"moe2D_PEOE_VSA_FPNEG":0.1381,"moe2D_PEOE_VSA_FPOL":0.237,"moe2D_PEOE_VSA_FPOS":0.6824,"moe2D_PEOE_VSA_FPPOS":0.09887,"moe2D_PEOE_VSA_HYD":79.68,"moe2D_PEOE_VSA_NEG":33.17,"moe2D_PEOE_VSA_PNEG":14.42,"moe2D_PEOE_VSA_POL":24.74,"moe2D_PEOE_VSA_POS":71.25,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.67,"moe2D_Q_PC..1":-1.67,"moe2D_Q_RPC.":0.2395,"moe2D_Q_RPC..1":0.5928,"moe2D_Q_VSA_FHYD":0.4246,"moe2D_Q_VSA_FNEG":0.1381,"moe2D_Q_VSA_FPNEG":0.1381,"moe2D_Q_VSA_FPOL":0.5754,"moe2D_Q_VSA_FPOS":0.8619,"moe2D_Q_VSA_FPPOS":0.4373,"moe2D_Q_VSA_HYD":44.34,"moe2D_Q_VSA_NEG":14.42,"moe2D_Q_VSA_PNEG":14.42,"moe2D_Q_VSA_POL":60.08,"moe2D_Q_VSA_POS":90,"moe2D_Q_VSA_PPOS":45.66,"moe2D_SMR":2.074,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.982,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":-0.6741,"moe2D_SlogP_VSA0":58.28,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":3.982,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":46.25,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":75.11,"moe2D_a_IC":20.02,"moe2D_a_ICM":1.43,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":14,"moe2D_a_don":2,"moe2D_a_heavy":5,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":9,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":13.18,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.54,"moe2D_bpol":9.179,"moe2D_chi0":4.284,"moe2D_chi0_C":2.284,"moe2D_chi0v":3.309,"moe2D_chi0v_C":2.284,"moe2D_chi1":2.27,"moe2D_chi1_C":0.9856,"moe2D_chi1v":1.635,"moe2D_chi1v_C":0.9856,"moeGao_chi2_C":0.4082,"moeGao_chi2v_C":0.4082,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2357,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.288,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1054,"moeGao_chi4pcv_C":0,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.6805,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.75,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.042,"moe2D_kS_sOH":8.019,"moe2D_kS_ssCH2":0.08333,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-0.06019,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.858,"moe2D_logS":0.5934,"moe2D_mr":2.063,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":104.4,"moe2D_vdw_vol":110.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":58.17,"moe2D_vsa_other":0,"moe2D_vsa_pol":31.31,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"1-amino-4-fluorobenzene(4-fluoroaniline)","moeGao_Abra_L":4.056,"moeGao_Abra_R":0.813,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.367,"moeGao_Abra_pi":1.062,"moe2D_BCUT_PEOE_0":-2.204,"moe2D_BCUT_PEOE_1":-0.6211,"moe2D_BCUT_PEOE_2":0.6475,"moe2D_BCUT_PEOE_3":2.144,"moe2D_BCUT_SLOGP_0":-2.326,"moe2D_BCUT_SLOGP_1":-0.4743,"moe2D_BCUT_SLOGP_2":0.7952,"moe2D_BCUT_SLOGP_3":2.293,"moe2D_BCUT_SMR_0":-1.867,"moe2D_BCUT_SMR_1":-0.4628,"moe2D_BCUT_SMR_2":0.808,"moe2D_BCUT_SMR_3":2.473,"moe2D_GCUT_PEOE_0":-0.8126,"moe2D_GCUT_PEOE_1":-0.4026,"moe2D_GCUT_PEOE_2":0.05683,"moe2D_GCUT_PEOE_3":1.905,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2361,"moe2D_GCUT_SLOGP_2":0.235,"moe2D_GCUT_SLOGP_3":2.055,"moe2D_GCUT_SMR_0":-0.4063,"moe2D_GCUT_SMR_1":-0.2034,"moe2D_GCUT_SMR_2":0.1818,"moe2D_GCUT_SMR_3":2.203,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":3.921,"moe2D_KierA2":1.493,"moe2D_KierA3":0.9943,"moe2D_KierFlex":0.7315,"moe2D_PEOE_PC.":0.6405,"moe2D_PEOE_PC..1":-0.6405,"moe2D_PEOE_RPC.":0.1935,"moe2D_PEOE_RPC..1":0.4719,"moe2D_PEOE_VSA.0":6.7,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":26.26,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":11.91,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.8422,"moe2D_PEOE_VSA_FNEG":0.5747,"moe2D_PEOE_VSA_FPNEG":0.1578,"moe2D_PEOE_VSA_FPOL":0.1578,"moe2D_PEOE_VSA_FPOS":0.4253,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":99.04,"moe2D_PEOE_VSA_NEG":67.58,"moe2D_PEOE_VSA_PNEG":18.56,"moe2D_PEOE_VSA_POL":18.56,"moe2D_PEOE_VSA_POS":50.02,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.69,"moe2D_Q_PC..1":-1.69,"moe2D_Q_RPC.":0.2367,"moe2D_Q_RPC..1":0.5325,"moe2D_Q_VSA_FHYD":0.7969,"moe2D_Q_VSA_FNEG":0.5747,"moe2D_Q_VSA_FPNEG":0.05656,"moe2D_Q_VSA_FPOL":0.2031,"moe2D_Q_VSA_FPOS":0.4253,"moe2D_Q_VSA_FPPOS":0.1466,"moe2D_Q_VSA_HYD":93.71,"moe2D_Q_VSA_NEG":67.58,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":50.02,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":3.081,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":14.96,"moe2D_SMR_VSA2":9.121,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":103.5,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.408,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":9.121,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":17.72,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.991,"moe2D_VDistMa":5.649,"moe2D_Weight":111.1,"moe2D_a_IC":22.28,"moe2D_a_ICM":1.592,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":1,"moe2D_a_nH":6,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":16.22,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.265,"moe2D_bpol":7.102,"moe2D_chi0":5.983,"moe2D_chi0_C":3.983,"moe2D_chi0v":4.265,"moe2D_chi0v_C":3.309,"moe2D_chi1":3.788,"moe2D_chi1_C":2.633,"moe2D_chi1v":2.299,"moe2D_chi1v_C":1.821,"moeGao_chi2_C":1.732,"moeGao_chi2v_C":1,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1592,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.305,"moeGao_chi3p_C":1.15,"moeGao_chi3pv":0.87,"moeGao_chi3pv_C":0.5516,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.427,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.4628,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1839,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7575,"moe2D_diameter":5,"moe2D_kS_aaCH":5.704,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":-0.2507,"moe2D_kS_aasC":0.5893,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":12.03,"moe2D_kS_sNH2":5.26,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.387,"moe2D_logS":-1.401,"moe2D_mr":3.077,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":117.6,"moe2D_vdw_vol":146.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":90.86,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":62,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"1-bromobutane-(butyl","moeGao_Abra_L":3.045,"moeGao_Abra_R":0.34,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.067,"moeGao_Abra_pi":0.363,"moe2D_BCUT_PEOE_0":-2.559,"moe2D_BCUT_PEOE_1":-0.02456,"moe2D_BCUT_PEOE_2":0.03456,"moe2D_BCUT_PEOE_3":2.506,"moe2D_BCUT_SLOGP_0":-2.434,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.4159,"moe2D_BCUT_SLOGP_3":2.649,"moe2D_BCUT_SMR_0":-2.307,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.4356,"moe2D_BCUT_SMR_3":2.772,"moe2D_GCUT_PEOE_0":-0.7895,"moe2D_GCUT_PEOE_1":-0.1841,"moe2D_GCUT_PEOE_2":-0.1254,"moe2D_GCUT_PEOE_3":1.937,"moe2D_GCUT_SLOGP_0":-0.755,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.1515,"moe2D_GCUT_SLOGP_3":2.092,"moe2D_GCUT_SMR_0":-0.5262,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.1632,"moe2D_GCUT_SMR_3":2.188,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":8.251,"moe2D_KierA2":7.585,"moe2D_KierA3":9.23,"moe2D_KierFlex":12.52,"moe2D_PEOE_PC.":0.2558,"moe2D_PEOE_PC..1":-0.2558,"moe2D_PEOE_RPC.":0.1493,"moe2D_PEOE_RPC..1":0.3586,"moe2D_PEOE_VSA.0":47.13,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":71.07,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6286,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3714,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":126.9,"moe2D_PEOE_VSA_NEG":79.78,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":47.13,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.23,"moe2D_Q_PC..1":-0.23,"moe2D_Q_RPC.":1,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.5873,"moe2D_Q_VSA_FNEG":0.3438,"moe2D_Q_VSA_FPNEG":0.3438,"moe2D_Q_VSA_FPOL":0.4127,"moe2D_Q_VSA_FPOS":0.6562,"moe2D_Q_VSA_FPPOS":0.06891,"moe2D_Q_VSA_HYD":74.54,"moe2D_Q_VSA_NEG":43.62,"moe2D_Q_VSA_PNEG":43.62,"moe2D_Q_VSA_POL":52.37,"moe2D_Q_VSA_POS":83.28,"moe2D_Q_VSA_PPOS":8.745,"moe2D_SMR":2.87,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":18.74,"moe2D_SMR_VSA7":79.28,"moe2D_SlogP":2.181,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.74,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":79.28,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":137,"moe2D_a_IC":16.77,"moe2D_a_ICM":1.198,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":5,"moe2D_a_nBr":1,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":9,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":16.09,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.191,"moe2D_bpol":11.13,"moe2D_chi0":4.121,"moe2D_chi0_C":3.121,"moe2D_chi0v":5.085,"moe2D_chi0v_C":3.121,"moe2D_chi1":2.414,"moe2D_chi1_C":1.707,"moe2D_chi1v":3.096,"moe2D_chi1v_C":1.707,"moeGao_chi2_C":0.8536,"moeGao_chi2v_C":0.8536,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0.3536,"moeGao_chi3pv":1.048,"moeGao_chi3pv_C":0.3536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.6944,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9745,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":3.31,"moe2D_kS_sCH3":2.182,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":3.759,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.447,"moe2D_logS":-1.728,"moe2D_mr":2.824,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":126.9,"moe2D_vdw_vol":140.6,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":120.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"1-bromoheptane","moeGao_Abra_L":4.542,"moeGao_Abra_R":0.34,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.067,"moeGao_Abra_pi":0.363,"moe2D_BCUT_PEOE_0":-2.673,"moe2D_BCUT_PEOE_1":-0.02456,"moe2D_BCUT_PEOE_2":0.03457,"moe2D_BCUT_PEOE_3":2.609,"moe2D_BCUT_SLOGP_0":-2.517,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.4158,"moe2D_BCUT_SLOGP_3":2.772,"moe2D_BCUT_SMR_0":-2.42,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.4356,"moe2D_BCUT_SMR_3":2.867,"moe2D_GCUT_PEOE_0":-0.8011,"moe2D_GCUT_PEOE_1":-0.1841,"moe2D_GCUT_PEOE_2":-0.1254,"moe2D_GCUT_PEOE_3":2.265,"moe2D_GCUT_SLOGP_0":-0.7551,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.1467,"moe2D_GCUT_SLOGP_3":2.42,"moe2D_GCUT_SMR_0":-0.5316,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.149,"moe2D_GCUT_SMR_3":2.496,"moe2D_Kier1":8,"moe2D_Kier2":7,"moe2D_Kier3":7.2,"moe2D_KierA1":10.84,"moe2D_KierA2":9.932,"moe2D_KierA3":10.62,"moe2D_KierFlex":13.46,"moe2D_PEOE_PC.":0.415,"moe2D_PEOE_PC..1":-0.415,"moe2D_PEOE_RPC.":0.09203,"moe2D_PEOE_RPC..1":0.2211,"moe2D_PEOE_VSA.0":72.73,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":97.18,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.5928,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.4072,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":178.6,"moe2D_PEOE_VSA_NEG":105.9,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":72.73,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.23,"moe2D_Q_PC..1":-0.23,"moe2D_Q_RPC.":1,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7068,"moe2D_Q_VSA_FNEG":0.2443,"moe2D_Q_VSA_FPNEG":0.2443,"moe2D_Q_VSA_FPOL":0.2932,"moe2D_Q_VSA_FPOS":0.7557,"moe2D_Q_VSA_FPPOS":0.04896,"moe2D_Q_VSA_HYD":126.2,"moe2D_Q_VSA_NEG":43.62,"moe2D_Q_VSA_PNEG":43.62,"moe2D_Q_VSA_POL":52.37,"moe2D_Q_VSA_POS":135,"moe2D_Q_VSA_PPOS":8.745,"moe2D_SMR":4.255,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":94.34,"moe2D_SMR_VSA6":18.74,"moe2D_SMR_VSA7":79.28,"moe2D_SlogP":3.352,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.74,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":94.34,"moe2D_SlogP_VSA9":79.28,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":2.61,"moe2D_VDistMa":5.568,"moe2D_Weight":179.1,"moe2D_a_IC":25.79,"moe2D_a_ICM":1.121,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":23,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":1,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":15,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":25.37,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.7143,"moe2D_b_ar":0,"moe2D_b_count":22,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":5,"moe2D_b_rotR":0.7143,"moe2D_b_single":22,"moe2D_b_triple":0,"moe2D_balabanJ":2.53,"moe2D_bpol":17.69,"moe2D_chi0":6.243,"moe2D_chi0_C":5.243,"moe2D_chi0v":7.207,"moe2D_chi0v_C":5.243,"moe2D_chi1":3.914,"moe2D_chi1_C":3.207,"moe2D_chi1v":4.596,"moe2D_chi1v_C":3.207,"moeGao_chi2_C":1.914,"moeGao_chi2v_C":1.914,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.457,"moeGao_chi3p_C":1.104,"moeGao_chi3pv":1.798,"moeGao_chi3pv_C":1.104,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.8536,"moeGao_chi4ca_C":0.6036,"moeGao_chi4cav":1.095,"moeGao_chi4cav_C":0.6036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8374,"moe2D_diameter":7,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":3.401,"moe2D_kS_sCH3":2.244,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":8.104,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.773,"moe2D_logS":-3.274,"moe2D_mr":4.213,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":178.6,"moe2D_vdw_vol":213.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":167.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":84,"moe2D_weinerPol":5,"moe2D_zagreb":26}
{"Molecule":"1-bromohexane","moeGao_Abra_L":4.043,"moeGao_Abra_R":0.34,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.067,"moeGao_Abra_pi":0.363,"moe2D_BCUT_PEOE_0":-2.649,"moe2D_BCUT_PEOE_1":-0.02456,"moe2D_BCUT_PEOE_2":0.03457,"moe2D_BCUT_PEOE_3":2.586,"moe2D_BCUT_SLOGP_0":-2.499,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.4158,"moe2D_BCUT_SLOGP_3":2.745,"moe2D_BCUT_SMR_0":-2.396,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.4356,"moe2D_BCUT_SMR_3":2.846,"moe2D_GCUT_PEOE_0":-0.7994,"moe2D_GCUT_PEOE_1":-0.1841,"moe2D_GCUT_PEOE_2":-0.1254,"moe2D_GCUT_PEOE_3":2.178,"moe2D_GCUT_SLOGP_0":-0.7551,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.1474,"moe2D_GCUT_SLOGP_3":2.333,"moe2D_GCUT_SMR_0":-0.531,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.1516,"moe2D_GCUT_SMR_3":2.414,"moe2D_Kier1":7,"moe2D_Kier2":6,"moe2D_Kier3":6,"moe2D_KierA1":9.932,"moe2D_KierA2":9.058,"moe2D_KierA3":9.679,"moe2D_KierFlex":12.85,"moe2D_PEOE_PC.":0.362,"moe2D_PEOE_PC..1":-0.362,"moe2D_PEOE_RPC.":0.1055,"moe2D_PEOE_RPC..1":0.2535,"moe2D_PEOE_VSA.0":64.19,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":88.48,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6022,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3978,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":161.4,"moe2D_PEOE_VSA_NEG":97.18,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":64.19,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.23,"moe2D_Q_PC..1":-0.23,"moe2D_Q_RPC.":1,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.6755,"moe2D_Q_VSA_FNEG":0.2703,"moe2D_Q_VSA_FPNEG":0.2703,"moe2D_Q_VSA_FPOL":0.3245,"moe2D_Q_VSA_FPOS":0.7297,"moe2D_Q_VSA_FPPOS":0.05419,"moe2D_Q_VSA_HYD":109,"moe2D_Q_VSA_NEG":43.62,"moe2D_Q_VSA_PNEG":43.62,"moe2D_Q_VSA_POL":52.37,"moe2D_Q_VSA_POS":117.7,"moe2D_Q_VSA_PPOS":8.745,"moe2D_SMR":3.794,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":18.74,"moe2D_SMR_VSA7":79.28,"moe2D_SlogP":2.962,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.74,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":79.28,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":2.398,"moe2D_VDistMa":5.169,"moe2D_Weight":165.1,"moe2D_a_IC":22.82,"moe2D_a_ICM":1.141,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":20,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":7,"moe2D_a_nBr":1,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":13,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":22.28,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.6667,"moe2D_b_ar":0,"moe2D_b_count":19,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":4,"moe2D_b_rotR":0.6667,"moe2D_b_single":19,"moe2D_b_triple":0,"moe2D_balabanJ":2.447,"moe2D_bpol":15.5,"moe2D_chi0":5.536,"moe2D_chi0_C":4.536,"moe2D_chi0v":6.499,"moe2D_chi0v_C":4.536,"moe2D_chi1":3.414,"moe2D_chi1_C":2.707,"moe2D_chi1v":4.096,"moe2D_chi1v_C":2.707,"moeGao_chi2_C":1.561,"moeGao_chi2v_C":1.561,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.207,"moeGao_chi3p_C":0.8536,"moeGao_chi3pv":1.548,"moeGao_chi3pv_C":0.8536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6768,"moeGao_chi4ca_C":0.4268,"moeGao_chi4cav":0.9178,"moeGao_chi4cav_C":0.4268,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8713,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":3.38,"moe2D_kS_sCH3":2.23,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":6.64,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.331,"moe2D_logS":-2.759,"moe2D_mr":3.75,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":161.4,"moe2D_vdw_vol":189.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":152.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":56,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"1-bromoocatne(n-octyl-bromide)","moeGao_Abra_L":5.041,"moeGao_Abra_R":0.34,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.067,"moeGao_Abra_pi":0.363,"moe2D_BCUT_PEOE_0":-2.691,"moe2D_BCUT_PEOE_1":-0.02456,"moe2D_BCUT_PEOE_2":0.03457,"moe2D_BCUT_PEOE_3":2.625,"moe2D_BCUT_SLOGP_0":-2.531,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.4158,"moe2D_BCUT_SLOGP_3":2.791,"moe2D_BCUT_SMR_0":-2.438,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.4356,"moe2D_BCUT_SMR_3":2.883,"moe2D_GCUT_PEOE_0":-0.802,"moe2D_GCUT_PEOE_1":-0.1841,"moe2D_GCUT_PEOE_2":-0.1254,"moe2D_GCUT_PEOE_3":2.337,"moe2D_GCUT_SLOGP_0":-0.7551,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.1462,"moe2D_GCUT_SLOGP_3":2.493,"moe2D_GCUT_SMR_0":-0.5317,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.1472,"moe2D_GCUT_SMR_3":2.566,"moe2D_Kier1":9,"moe2D_Kier2":8,"moe2D_Kier3":8,"moe2D_KierA1":11.78,"moe2D_KierA2":10.84,"moe2D_KierA3":11.21,"moe2D_KierFlex":14.19,"moe2D_PEOE_PC.":0.4681,"moe2D_PEOE_PC..1":-0.4681,"moe2D_PEOE_RPC.":0.08159,"moe2D_PEOE_RPC..1":0.196,"moe2D_PEOE_VSA.0":81.26,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":105.9,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.5851,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.4149,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":195.8,"moe2D_PEOE_VSA_NEG":114.6,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":81.26,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.23,"moe2D_Q_PC..1":-0.23,"moe2D_Q_RPC.":1,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7326,"moe2D_Q_VSA_FNEG":0.2228,"moe2D_Q_VSA_FPNEG":0.2228,"moe2D_Q_VSA_FPOL":0.2674,"moe2D_Q_VSA_FPOS":0.7772,"moe2D_Q_VSA_FPPOS":0.04465,"moe2D_Q_VSA_HYD":143.5,"moe2D_Q_VSA_NEG":43.62,"moe2D_Q_VSA_PNEG":43.62,"moe2D_Q_VSA_POL":52.37,"moe2D_Q_VSA_POS":152.2,"moe2D_Q_VSA_PPOS":8.745,"moe2D_SMR":4.717,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":113.2,"moe2D_SMR_VSA6":18.74,"moe2D_SMR_VSA7":79.28,"moe2D_SlogP":3.742,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.74,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":113.2,"moe2D_SlogP_VSA9":79.28,"moe2D_TPSA":0,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.794,"moe2D_VDistMa":5.917,"moe2D_Weight":193.1,"moe2D_a_IC":28.72,"moe2D_a_ICM":1.105,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":26,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":9,"moe2D_a_nBr":1,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":17,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":28.47,"moe2D_b_1rotN":6,"moe2D_b_1rotR":0.75,"moe2D_b_ar":0,"moe2D_b_count":25,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":6,"moe2D_b_rotR":0.75,"moe2D_b_single":25,"moe2D_b_triple":0,"moe2D_balabanJ":2.595,"moe2D_bpol":19.87,"moe2D_chi0":6.95,"moe2D_chi0_C":5.95,"moe2D_chi0v":7.914,"moe2D_chi0v_C":5.95,"moe2D_chi1":4.414,"moe2D_chi1_C":3.707,"moe2D_chi1v":5.096,"moe2D_chi1v_C":3.707,"moeGao_chi2_C":2.268,"moeGao_chi2v_C":2.268,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.707,"moeGao_chi3p_C":1.354,"moeGao_chi3pv":2.048,"moeGao_chi3pv_C":1.354,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.03,"moeGao_chi4ca_C":0.7803,"moeGao_chi4cav":1.271,"moeGao_chi4cav_C":0.7803,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8104,"moe2D_diameter":8,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":3.419,"moe2D_kS_sCH3":2.254,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":9.577,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.215,"moe2D_logS":-3.789,"moe2D_mr":4.675,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":6,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":195.8,"moe2D_vdw_vol":238.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":183.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":120,"moe2D_weinerPol":6,"moe2D_zagreb":30}
{"Molecule":"1-bromopropane","moeGao_Abra_L":2.546,"moeGao_Abra_R":0.34,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.067,"moeGao_Abra_pi":0.363,"moe2D_BCUT_PEOE_0":-2.472,"moe2D_BCUT_PEOE_1":-0.02456,"moe2D_BCUT_PEOE_2":0.03447,"moe2D_BCUT_PEOE_3":2.428,"moe2D_BCUT_SLOGP_0":-2.37,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.416,"moe2D_BCUT_SLOGP_3":2.555,"moe2D_BCUT_SMR_0":-2.219,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.4359,"moe2D_BCUT_SMR_3":2.701,"moe2D_GCUT_PEOE_0":-0.7762,"moe2D_GCUT_PEOE_1":-0.1841,"moe2D_GCUT_PEOE_2":-0.1255,"moe2D_GCUT_PEOE_3":1.762,"moe2D_GCUT_SLOGP_0":-0.7548,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.1582,"moe2D_GCUT_SLOGP_3":1.92,"moe2D_GCUT_SMR_0":-0.5184,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":0.1778,"moe2D_GCUT_SMR_3":2.029,"moe2D_Kier1":4,"moe2D_Kier2":3,"moe2D_Kier3":4,"moe2D_KierA1":7.585,"moe2D_KierA2":7.299,"moe2D_KierA3":13.75,"moe2D_KierFlex":13.84,"moe2D_PEOE_PC.":0.2026,"moe2D_PEOE_PC..1":-0.2026,"moe2D_PEOE_RPC.":0.1885,"moe2D_PEOE_RPC..1":0.453,"moe2D_PEOE_VSA.0":38.6,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":62.37,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.648,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.352,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":109.7,"moe2D_PEOE_VSA_NEG":71.07,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":38.6,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.23,"moe2D_Q_PC..1":-0.23,"moe2D_Q_RPC.":1,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.5225,"moe2D_Q_VSA_FNEG":0.3978,"moe2D_Q_VSA_FPNEG":0.3978,"moe2D_Q_VSA_FPOL":0.4775,"moe2D_Q_VSA_FPOS":0.6022,"moe2D_Q_VSA_FPPOS":0.07973,"moe2D_Q_VSA_HYD":57.31,"moe2D_Q_VSA_NEG":43.62,"moe2D_Q_VSA_PNEG":43.62,"moe2D_Q_VSA_POL":52.37,"moe2D_Q_VSA_POS":66.05,"moe2D_Q_VSA_PPOS":8.745,"moe2D_SMR":2.409,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":18.74,"moe2D_SMR_VSA7":79.28,"moe2D_SlogP":1.791,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.74,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":79.28,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1.459,"moe2D_VDistMa":3.446,"moe2D_Weight":123,"moe2D_a_IC":13.65,"moe2D_a_ICM":1.241,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":11,"moe2D_a_don":0,"moe2D_a_heavy":4,"moe2D_a_hyd":4,"moe2D_a_nBr":1,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":13,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":10,"moe2D_b_double":0,"moe2D_b_heavy":3,"moe2D_b_rotN":1,"moe2D_b_rotR":0.3333,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":1.975,"moe2D_bpol":8.942,"moe2D_chi0":3.414,"moe2D_chi0_C":2.414,"moe2D_chi0v":4.378,"moe2D_chi0v_C":2.414,"moe2D_chi1":1.914,"moe2D_chi1_C":1.207,"moe2D_chi1v":2.596,"moe2D_chi1v_C":1.207,"moeGao_chi2_C":0.5,"moeGao_chi2v_C":0.5,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.982,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.059,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":3.248,"moe2D_kS_sCH3":2.134,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":2.368,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.005,"moe2D_logS":-1.213,"moe2D_mr":2.359,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":109.7,"moe2D_vdw_vol":116.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":104.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":10,"moe2D_weinerPol":1,"moe2D_zagreb":10}
{"Molecule":"1-butanol","moeGao_Abra_L":2.62,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.385,"moeGao_Abra_pi":0.449,"moe2D_BCUT_PEOE_0":-2.569,"moe2D_BCUT_PEOE_1":-0.2177,"moe2D_BCUT_PEOE_2":0.2878,"moe2D_BCUT_PEOE_3":2.52,"moe2D_BCUT_SLOGP_0":-2.495,"moe2D_BCUT_SLOGP_1":-0.1534,"moe2D_BCUT_SLOGP_2":0.2762,"moe2D_BCUT_SLOGP_3":2.633,"moe2D_BCUT_SMR_0":-2.33,"moe2D_BCUT_SMR_1":-0.1237,"moe2D_BCUT_SMR_2":0.3514,"moe2D_BCUT_SMR_3":2.756,"moe2D_GCUT_PEOE_0":-0.8028,"moe2D_GCUT_PEOE_1":-0.2288,"moe2D_GCUT_PEOE_2":-0.01305,"moe2D_GCUT_PEOE_3":1.973,"moe2D_GCUT_SLOGP_0":-0.8737,"moe2D_GCUT_SLOGP_1":-0.1361,"moe2D_GCUT_SLOGP_2":-0.02476,"moe2D_GCUT_SLOGP_3":2.065,"moe2D_GCUT_SMR_0":-0.5293,"moe2D_GCUT_SMR_1":-0.1246,"moe2D_GCUT_SMR_2":0.0446,"moe2D_GCUT_SMR_3":2.177,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":4,"moe2D_KierA3":4,"moe2D_KierFlex":4,"moe2D_PEOE_PC.":0.544,"moe2D_PEOE_PC..1":-0.544,"moe2D_PEOE_RPC.":0.3849,"moe2D_PEOE_RPC..1":0.7261,"moe2D_PEOE_VSA.0":44.81,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":27.45,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8318,"moe2D_PEOE_VSA_FNEG":0.4082,"moe2D_PEOE_VSA_FPNEG":0.0722,"moe2D_PEOE_VSA_FPOL":0.1682,"moe2D_PEOE_VSA_FPOS":0.5918,"moe2D_PEOE_VSA_FPPOS":0.09597,"moe2D_PEOE_VSA_HYD":89.49,"moe2D_PEOE_VSA_NEG":43.92,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":63.66,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.6929,"moe2D_Q_VSA_FNEG":0.0722,"moe2D_Q_VSA_FPNEG":0.0722,"moe2D_Q_VSA_FPOL":0.3071,"moe2D_Q_VSA_FPOS":0.9278,"moe2D_Q_VSA_FPPOS":0.2349,"moe2D_Q_VSA_HYD":74.54,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":99.81,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":2.199,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":0.7788,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":74.12,"moe2D_a_IC":17.38,"moe2D_a_ICM":1.159,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":15,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":14.51,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.191,"moe2D_bpol":10.93,"moe2D_chi0":4.121,"moe2D_chi0_C":3.121,"moe2D_chi0v":3.569,"moe2D_chi0v_C":3.121,"moe2D_chi1":2.414,"moe2D_chi1_C":1.707,"moe2D_chi1v":2.023,"moe2D_chi1v_C":1.707,"moeGao_chi2_C":0.8536,"moeGao_chi2v_C":0.8536,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0.3536,"moeGao_chi3pv":0.5117,"moeGao_chi3pv_C":0.3536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.1581,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.617,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.052,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.066,"moe2D_kS_ssCH2":2.382,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.993,"moe2D_logS":-0.4322,"moe2D_mr":2.263,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":107.6,"moe2D_vdw_vol":120.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":83.08,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"1-chloro-3-methylbenzene(m-chlorotoluene)","moeGao_Abra_L":4.244,"moeGao_Abra_R":0.799,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.122,"moeGao_Abra_pi":0.686,"moe2D_BCUT_PEOE_0":-2.27,"moe2D_BCUT_PEOE_1":-0.5811,"moe2D_BCUT_PEOE_2":0.6023,"moe2D_BCUT_PEOE_3":2.22,"moe2D_BCUT_SLOGP_0":-2.109,"moe2D_BCUT_SLOGP_1":-0.3375,"moe2D_BCUT_SLOGP_2":0.8155,"moe2D_BCUT_SLOGP_3":2.393,"moe2D_BCUT_SMR_0":-1.979,"moe2D_BCUT_SMR_1":-0.3249,"moe2D_BCUT_SMR_2":0.8413,"moe2D_BCUT_SMR_3":2.529,"moe2D_GCUT_PEOE_0":-0.7579,"moe2D_GCUT_PEOE_1":-0.3694,"moe2D_GCUT_PEOE_2":0.03777,"moe2D_GCUT_PEOE_3":1.959,"moe2D_GCUT_SLOGP_0":-0.6037,"moe2D_GCUT_SLOGP_1":-0.1603,"moe2D_GCUT_SLOGP_2":0.24,"moe2D_GCUT_SLOGP_3":2.15,"moe2D_GCUT_SMR_0":-0.4789,"moe2D_GCUT_SMR_1":-0.1155,"moe2D_GCUT_SMR_2":0.2545,"moe2D_GCUT_SMR_3":2.268,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":5.345,"moe2D_KierA2":2.151,"moe2D_KierA3":1.506,"moe2D_KierFlex":1.437,"moe2D_PEOE_PC.":0.375,"moe2D_PEOE_PC..1":-0.375,"moe2D_PEOE_RPC.":0.1693,"moe2D_PEOE_RPC..1":0.2228,"moe2D_PEOE_VSA.0":17.32,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":45.47,"moe2D_PEOE_VSA.1.1":54.09,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7433,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2567,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":133.9,"moe2D_PEOE_VSA_NEG":99.56,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":34.38,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.9205,"moe2D_Q_PC..1":-0.9205,"moe2D_Q_RPC.":0.1923,"moe2D_Q_RPC..1":0.1923,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.6034,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.3966,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":133.9,"moe2D_Q_VSA_NEG":80.81,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":53.13,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.619,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.686,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":72.47,"moe2D_SlogP":2.648,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":72.47,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.892,"moe2D_VDistMa":5.664,"moe2D_Weight":126.6,"moe2D_a_IC":19.3,"moe2D_a_ICM":1.287,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":15,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":19.17,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":2.305,"moe2D_bpol":8.072,"moe2D_chi0":5.983,"moe2D_chi0_C":4.983,"moe2D_chi0v":5.443,"moe2D_chi0v_C":4.309,"moe2D_chi1":3.788,"moe2D_chi1_C":3.21,"moe2D_chi1v":2.888,"moe2D_chi1v_C":2.321,"moeGao_chi2_C":2.56,"moeGao_chi2v_C":1.581,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0.2887,"moeGao_chi3cv":0.3556,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":2.199,"moeGao_chi3p_C":1.674,"moeGao_chi3pv":1.215,"moeGao_chi3pv_C":0.8626,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":1.131,"moeGao_chi4cav":0.8504,"moeGao_chi4cav_C":0.4831,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.7416,"moeGao_chi4pc_C":0.3708,"moeGao_chi4pcv":0.3832,"moeGao_chi4pcv_C":0.1796,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7479,"moe2D_diameter":4,"moe2D_kS_aaCH":7.764,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.8102,"moe2D_kS_aasC":1.206,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.02,"moe2D_kS_sCl":5.645,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.833,"moe2D_logS":-2.593,"moe2D_mr":3.671,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":133.9,"moe2D_vdw_vol":169.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":129,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":61,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"1-chloro-4-methylbenzene(4-chlorotoluene)","moeGao_Abra_L":4.244,"moeGao_Abra_R":0.799,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.122,"moeGao_Abra_pi":0.686,"moe2D_BCUT_PEOE_0":-2.271,"moe2D_BCUT_PEOE_1":-0.5859,"moe2D_BCUT_PEOE_2":0.6003,"moe2D_BCUT_PEOE_3":2.218,"moe2D_BCUT_SLOGP_0":-2.111,"moe2D_BCUT_SLOGP_1":-0.3381,"moe2D_BCUT_SLOGP_2":0.8276,"moe2D_BCUT_SLOGP_3":2.39,"moe2D_BCUT_SMR_0":-1.98,"moe2D_BCUT_SMR_1":-0.3263,"moe2D_BCUT_SMR_2":0.8627,"moe2D_BCUT_SMR_3":2.527,"moe2D_GCUT_PEOE_0":-0.7601,"moe2D_GCUT_PEOE_1":-0.3788,"moe2D_GCUT_PEOE_2":0.03878,"moe2D_GCUT_PEOE_3":1.958,"moe2D_GCUT_SLOGP_0":-0.6038,"moe2D_GCUT_SLOGP_1":-0.1495,"moe2D_GCUT_SLOGP_2":0.2241,"moe2D_GCUT_SLOGP_3":2.148,"moe2D_GCUT_SMR_0":-0.4787,"moe2D_GCUT_SMR_1":-0.1168,"moe2D_GCUT_SMR_2":0.2494,"moe2D_GCUT_SMR_3":2.267,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":5.345,"moe2D_KierA2":2.151,"moe2D_KierA3":1.506,"moe2D_KierFlex":1.437,"moe2D_PEOE_PC.":0.3748,"moe2D_PEOE_PC..1":-0.3748,"moe2D_PEOE_RPC.":0.1687,"moe2D_PEOE_RPC..1":0.2229,"moe2D_PEOE_VSA.0":17.32,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":43.26,"moe2D_PEOE_VSA.1.1":56.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7433,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2567,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":133.9,"moe2D_PEOE_VSA_NEG":99.56,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":34.38,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.9205,"moe2D_Q_PC..1":-0.9205,"moe2D_Q_RPC.":0.1923,"moe2D_Q_RPC..1":0.1923,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.6034,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.3966,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":133.9,"moe2D_Q_VSA_NEG":80.81,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":53.13,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.619,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.686,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":72.47,"moe2D_SlogP":2.648,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":72.47,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.991,"moe2D_VDistMa":5.649,"moe2D_Weight":126.6,"moe2D_a_IC":19.3,"moe2D_a_ICM":1.287,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":15,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":19.17,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":2.265,"moe2D_bpol":8.072,"moe2D_chi0":5.983,"moe2D_chi0_C":4.983,"moe2D_chi0v":5.443,"moe2D_chi0v_C":4.309,"moe2D_chi1":3.788,"moe2D_chi1_C":3.21,"moe2D_chi1v":2.888,"moe2D_chi1v_C":2.321,"moeGao_chi2_C":2.549,"moeGao_chi2v_C":1.577,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0.2887,"moeGao_chi3cv":0.3556,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":2.305,"moeGao_chi3p_C":1.727,"moeGao_chi3pv":1.263,"moeGao_chi3pv_C":0.8849,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.427,"moeGao_chi4ca_C":1.093,"moeGao_chi4cav":0.6592,"moeGao_chi4cav_C":0.4702,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0.4082,"moeGao_chi4pcv":0.4107,"moeGao_chi4pcv_C":0.1925,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7479,"moe2D_diameter":5,"moe2D_kS_aaCH":7.748,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.8015,"moe2D_kS_aasC":1.245,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.038,"moe2D_kS_sCl":5.612,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.796,"moe2D_logS":-2.593,"moe2D_mr":3.671,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":133.9,"moe2D_vdw_vol":169.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":129,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":62,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"1-chloronaphthalene","moeGao_Abra_L":6.194,"moeGao_Abra_R":1.527,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.186,"moeGao_Abra_pi":1.052,"moe2D_BCUT_PEOE_0":-2.2,"moe2D_BCUT_PEOE_1":-0.6277,"moe2D_BCUT_PEOE_2":0.6718,"moe2D_BCUT_PEOE_3":2.157,"moe2D_BCUT_SLOGP_0":-1.979,"moe2D_BCUT_SLOGP_1":-0.4901,"moe2D_BCUT_SLOGP_2":0.8325,"moe2D_BCUT_SLOGP_3":2.392,"moe2D_BCUT_SMR_0":-1.845,"moe2D_BCUT_SMR_1":-0.4571,"moe2D_BCUT_SMR_2":0.8676,"moe2D_BCUT_SMR_3":2.524,"moe2D_GCUT_PEOE_0":-0.7468,"moe2D_GCUT_PEOE_1":-0.3823,"moe2D_GCUT_PEOE_2":0.07674,"moe2D_GCUT_PEOE_3":2.128,"moe2D_GCUT_SLOGP_0":-0.5423,"moe2D_GCUT_SLOGP_1":-0.2385,"moe2D_GCUT_SLOGP_2":0.2367,"moe2D_GCUT_SLOGP_3":2.355,"moe2D_GCUT_SMR_0":-0.4008,"moe2D_GCUT_SMR_1":-0.1928,"moe2D_GCUT_SMR_2":0.2625,"moe2D_GCUT_SMR_3":2.477,"moe2D_Kier1":7.639,"moe2D_Kier2":3.164,"moe2D_Kier3":1.451,"moe2D_KierA1":5.912,"moe2D_KierA2":2.379,"moe2D_KierA3":1.063,"moe2D_KierFlex":1.279,"moe2D_PEOE_PC.":0.4848,"moe2D_PEOE_PC..1":-0.4848,"moe2D_PEOE_RPC.":0.1304,"moe2D_PEOE_RPC..1":0.171,"moe2D_PEOE_VSA.0":6.728,"moe2D_PEOE_VSA.1":29.86,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":14.46,"moe2D_PEOE_VSA.1.1":103.1,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7627,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2373,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":154.2,"moe2D_PEOE_VSA_NEG":117.6,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":36.59,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.227,"moe2D_Q_PC..1":-1.227,"moe2D_Q_RPC.":0.1443,"moe2D_Q_RPC..1":0.1443,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.7484,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.2516,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":154.2,"moe2D_Q_VSA_NEG":115.4,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":38.79,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.896,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.501,"moe2D_SMR_VSA4":5.146,"moe2D_SMR_VSA5":123.5,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":39.15,"moe2D_SlogP":3.493,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":128.6,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":39.15,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7186,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.165,"moe2D_VDistMa":6.628,"moe2D_Weight":162.6,"moe2D_a_IC":22.19,"moe2D_a_ICM":1.233,"moe2D_a_acc":0,"moe2D_a_aro":10,"moe2D_a_count":18,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":24.45,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":11,"moe2D_b_count":19,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.035,"moe2D_bpol":8.072,"moe2D_chi0":7.682,"moe2D_chi0_C":6.682,"moe2D_chi0v":6.675,"moe2D_chi0v_C":5.541,"moe2D_chi1":5.377,"moe2D_chi1_C":4.8,"moe2D_chi1v":3.888,"moe2D_chi1v_C":3.321,"moeGao_chi2_C":3.875,"moeGao_chi2v_C":2.257,"moeGao_chi3c":0.5385,"moeGao_chi3c_C":0.3027,"moeGao_chi3cv":0.3192,"moeGao_chi3cv_C":0.1555,"moeGao_chi3p":3.933,"moeGao_chi3p_C":3.216,"moeGao_chi3pv":2.066,"moeGao_chi3pv_C":1.572,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.26,"moeGao_chi4ca_C":2.617,"moeGao_chi4cav":1.431,"moeGao_chi4cav_C":1.063,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.44,"moeGao_chi4pc_C":0.8347,"moeGao_chi4pcv":0.7053,"moeGao_chi4pcv_C":0.3527,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7499,"moe2D_diameter":5,"moe2D_kS_aaCH":14.02,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":3.139,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.957,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.718,"moe2D_logS":-3.997,"moe2D_mr":4.829,"moe2D_opr_brigid":11,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":154.2,"moe2D_vdw_vol":216.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":149.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":140,"moe2D_weinerPol":15,"moe2D_zagreb":56}
{"Molecule":"1-cyano-2-amino-5-chlorobenzene(benzonitrile2-amino-5-chloro-)","moeGao_Abra_L":6.091,"moeGao_Abra_R":1.218,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.464,"moeGao_Abra_pi":1.619,"moe2D_BCUT_PEOE_0":-2.195,"moe2D_BCUT_PEOE_1":-0.6207,"moe2D_BCUT_PEOE_2":0.6316,"moe2D_BCUT_PEOE_3":2.161,"moe2D_BCUT_SLOGP_0":-2.327,"moe2D_BCUT_SLOGP_1":-0.382,"moe2D_BCUT_SLOGP_2":0.8565,"moe2D_BCUT_SLOGP_3":2.332,"moe2D_BCUT_SMR_0":-1.852,"moe2D_BCUT_SMR_1":-0.3404,"moe2D_BCUT_SMR_2":0.9175,"moe2D_BCUT_SMR_3":2.5,"moe2D_GCUT_PEOE_0":-0.8066,"moe2D_GCUT_PEOE_1":-0.4154,"moe2D_GCUT_PEOE_2":0.07147,"moe2D_GCUT_PEOE_3":1.951,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2398,"moe2D_GCUT_SLOGP_2":0.3053,"moe2D_GCUT_SLOGP_3":2.121,"moe2D_GCUT_SMR_0":-0.4054,"moe2D_GCUT_SMR_1":-0.1454,"moe2D_GCUT_SMR_2":0.3694,"moe2D_GCUT_SMR_3":2.273,"moe2D_Kier1":8.1,"moe2D_Kier2":3.408,"moe2D_Kier3":1.991,"moe2D_KierA1":5.814,"moe2D_KierA2":2.344,"moe2D_KierA3":1.322,"moe2D_KierFlex":1.363,"moe2D_PEOE_PC.":0.6834,"moe2D_PEOE_PC..1":-0.6834,"moe2D_PEOE_RPC.":0.1814,"moe2D_PEOE_RPC..1":0.4408,"moe2D_PEOE_VSA.0":11.22,"moe2D_PEOE_VSA.1":15,"moe2D_PEOE_VSA.2":37.54,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":29.58,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":17.74,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.957,"moe2D_PEOE_VSA_FNEG":0.5873,"moe2D_PEOE_VSA_FPNEG":0.04305,"moe2D_PEOE_VSA_FPOL":0.04305,"moe2D_PEOE_VSA_FPOS":0.4127,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":147.9,"moe2D_PEOE_VSA_NEG":90.74,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":63.76,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":2.084,"moe2D_Q_PC..1":-2.084,"moe2D_Q_RPC.":0.2323,"moe2D_Q_RPC..1":0.4318,"moe2D_Q_VSA_FHYD":0.5992,"moe2D_Q_VSA_FNEG":0.5873,"moe2D_Q_VSA_FPNEG":0.1579,"moe2D_Q_VSA_FPOL":0.4008,"moe2D_Q_VSA_FPOS":0.4127,"moe2D_Q_VSA_FPPOS":0.243,"moe2D_Q_VSA_HYD":92.57,"moe2D_Q_VSA_NEG":90.74,"moe2D_Q_VSA_PNEG":24.39,"moe2D_Q_VSA_POL":61.93,"moe2D_Q_VSA_POS":63.76,"moe2D_Q_VSA_PPOS":37.54,"moe2D_SMR":4.058,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":31.06,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":23.29,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":85.83,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":39.15,"moe2D_SlogP":1.794,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":47.66,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":41.91,"moe2D_TPSA":49.81,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.186,"moe2D_VDistMa":6.333,"moe2D_Weight":152.6,"moe2D_a_IC":25.34,"moe2D_a_ICM":1.689,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":15,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":2,"moe2D_a_nO":0,"moe2D_apol":20.03,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1,"moe2D_b_single":8,"moe2D_b_triple":1,"moe2D_balabanJ":2.433,"moe2D_bpol":5.886,"moe2D_chi0":7.56,"moe2D_chi0_C":4.56,"moe2D_chi0v":5.891,"moe2D_chi0v_C":3.732,"moe2D_chi1":4.736,"moe2D_chi1_C":2.875,"moe2D_chi1v":3.067,"moe2D_chi1v_C":1.988,"moeGao_chi2_C":2.098,"moeGao_chi2v_C":1.202,"moeGao_chi3c":0.691,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.3445,"moeGao_chi3cv_C":0.07217,"moeGao_chi3p":3.149,"moeGao_chi3p_C":1.34,"moeGao_chi3pv":1.371,"moeGao_chi3pv_C":0.6461,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.219,"moeGao_chi4ca_C":0.8779,"moeGao_chi4cav":0.7974,"moeGao_chi4cav_C":0.3527,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.418,"moeGao_chi4pc_C":0.2141,"moeGao_chi4pcv":0.4932,"moeGao_chi4pcv_C":0.07775,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8251,"moe2D_diameter":5,"moe2D_kS_aaCH":4.801,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.5331,"moe2D_kS_aasC":0.8883,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.589,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.419,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":8.454,"moe2D_kS_tsC":1.927,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.521,"moe2D_logS":-2.191,"moe2D_mr":4.092,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":154.5,"moe2D_vdw_vol":184.9,"moe2D_vsa_acc":17.74,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":90.44,"moe2D_vsa_other":20.3,"moe2D_vsa_pol":35.48,"moe2D_weinerPath":115,"moe2D_weinerPol":12,"moe2D_zagreb":46}
{"Molecule":"1-cyano-2-methylbenzene(o-tolunitrile)","moeGao_Abra_L":4.639,"moeGao_Abra_R":0.816,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.253,"moeGao_Abra_pi":1.028,"moe2D_BCUT_PEOE_0":-2.264,"moe2D_BCUT_PEOE_1":-0.5248,"moe2D_BCUT_PEOE_2":0.5885,"moe2D_BCUT_PEOE_3":2.233,"moe2D_BCUT_SLOGP_0":-2.124,"moe2D_BCUT_SLOGP_1":-0.4251,"moe2D_BCUT_SLOGP_2":0.6848,"moe2D_BCUT_SLOGP_3":2.372,"moe2D_BCUT_SMR_0":-1.98,"moe2D_BCUT_SMR_1":-0.3956,"moe2D_BCUT_SMR_2":0.7227,"moe2D_BCUT_SMR_3":2.531,"moe2D_GCUT_PEOE_0":-0.7493,"moe2D_GCUT_PEOE_1":-0.3392,"moe2D_GCUT_PEOE_2":0.06116,"moe2D_GCUT_PEOE_3":2.003,"moe2D_GCUT_SLOGP_0":-0.6074,"moe2D_GCUT_SLOGP_1":-0.2237,"moe2D_GCUT_SLOGP_2":0.1407,"moe2D_GCUT_SLOGP_3":2.141,"moe2D_GCUT_SMR_0":-0.4788,"moe2D_GCUT_SMR_1":-0.1826,"moe2D_GCUT_SMR_2":0.1609,"moe2D_GCUT_SMR_3":2.296,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":1.704,"moe2D_KierA1":4.341,"moe2D_KierA2":1.835,"moe2D_KierA3":0.896,"moe2D_KierFlex":0.8852,"moe2D_PEOE_PC.":0.4861,"moe2D_PEOE_PC..1":-0.4861,"moe2D_PEOE_RPC.":0.2045,"moe2D_PEOE_RPC..1":0.3926,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":39.57,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":33.21,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":17.74,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6262,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3738,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":140.1,"moe2D_PEOE_VSA_NEG":87.72,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":52.37,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.301,"moe2D_Q_PC..1":-1.301,"moe2D_Q_RPC.":0.3722,"moe2D_Q_RPC..1":0.4283,"moe2D_Q_VSA_FHYD":0.7284,"moe2D_Q_VSA_FNEG":0.4924,"moe2D_Q_VSA_FPNEG":0.1267,"moe2D_Q_VSA_FPOL":0.2716,"moe2D_Q_VSA_FPOS":0.5076,"moe2D_Q_VSA_FPPOS":0.1449,"moe2D_Q_VSA_HYD":102,"moe2D_Q_VSA_NEG":68.97,"moe2D_Q_VSA_PNEG":17.74,"moe2D_Q_VSA_POL":38.04,"moe2D_Q_VSA_POS":71.11,"moe2D_Q_VSA_PPOS":20.3,"moe2D_SMR":3.589,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":31.06,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":22.97,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.867,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":47.66,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":23.79,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.075,"moe2D_VDistMa":6.017,"moe2D_Weight":117.2,"moe2D_a_IC":20.35,"moe2D_a_ICM":1.272,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":19.85,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":16,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":9,"moe2D_b_triple":1,"moe2D_balabanJ":2.366,"moe2D_bpol":8.312,"moe2D_chi0":6.69,"moe2D_chi0_C":5.69,"moe2D_chi0v":5.257,"moe2D_chi0v_C":4.809,"moe2D_chi1":4.343,"moe2D_chi1_C":3.635,"moe2D_chi1v":2.801,"moe2D_chi1v_C":2.577,"moeGao_chi2_C":3.022,"moeGao_chi2v_C":1.815,"moeGao_chi3c":0.4024,"moeGao_chi3c_C":0.4024,"moeGao_chi3cv":0.2165,"moeGao_chi3cv_C":0.2165,"moeGao_chi3p":2.813,"moeGao_chi3p_C":2.289,"moeGao_chi3pv":1.266,"moeGao_chi3pv_C":1.145,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2,"moeGao_chi4ca_C":1.393,"moeGao_chi4cav":0.6983,"moeGao_chi4cav_C":0.5729,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.069,"moeGao_chi4pc_C":0.9024,"moeGao_chi4pcv":0.4266,"moeGao_chi4pcv_C":0.3943,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6555,"moe2D_diameter":5,"moe2D_kS_aaCH":7.537,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.803,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.929,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":8.468,"moe2D_kS_tsC":2.095,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.862,"moe2D_logS":-2.21,"moe2D_mr":3.808,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":140.1,"moe2D_vdw_vol":178.7,"moe2D_vsa_acc":17.74,"moe2D_vsa_don":0,"moe2D_vsa_hyd":97.06,"moe2D_vsa_other":20.3,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":86,"moe2D_weinerPol":10,"moe2D_zagreb":40}
{"Molecule":"1-cyano-35-dibromo-4-hydroxybenzene(bromoxynil)","moeGao_Abra_L":6.906,"moeGao_Abra_R":1.497,"moeGao_Abra_acidity":0.639,"moeGao_Abra_basicity":0.406,"moeGao_Abra_pi":1.53,"moe2D_BCUT_PEOE_0":-2.122,"moe2D_BCUT_PEOE_1":-0.6838,"moe2D_BCUT_PEOE_2":0.6989,"moe2D_BCUT_PEOE_3":2.15,"moe2D_BCUT_SLOGP_0":-1.94,"moe2D_BCUT_SLOGP_1":-0.4779,"moe2D_BCUT_SLOGP_2":0.9798,"moe2D_BCUT_SLOGP_3":2.4,"moe2D_BCUT_SMR_0":-1.8,"moe2D_BCUT_SMR_1":-0.3626,"moe2D_BCUT_SMR_2":1.087,"moe2D_BCUT_SMR_3":2.494,"moe2D_GCUT_PEOE_0":-0.7511,"moe2D_GCUT_PEOE_1":-0.4653,"moe2D_GCUT_PEOE_2":0.1384,"moe2D_GCUT_PEOE_3":1.918,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.2344,"moe2D_GCUT_SLOGP_2":0.4074,"moe2D_GCUT_SLOGP_3":2.163,"moe2D_GCUT_SMR_0":-0.4269,"moe2D_GCUT_SMR_1":-0.1562,"moe2D_GCUT_SMR_2":0.5273,"moe2D_GCUT_SMR_3":2.27,"moe2D_Kier1":9.091,"moe2D_Kier2":3.6,"moe2D_Kier3":1.975,"moe2D_KierA1":9.904,"moe2D_KierA2":3.958,"moe2D_KierA3":2.189,"moe2D_KierFlex":3.564,"moe2D_PEOE_PC.":0.6992,"moe2D_PEOE_PC..1":-0.6992,"moe2D_PEOE_RPC.":0.3109,"moe2D_PEOE_RPC..1":0.5115,"moe2D_PEOE_VSA.0":4.504,"moe2D_PEOE_VSA.1":31.04,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":111.8,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":17.74,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9056,"moe2D_PEOE_VSA_FNEG":0.7165,"moe2D_PEOE_VSA_FPNEG":0.04054,"moe2D_PEOE_VSA_FPOL":0.09443,"moe2D_PEOE_VSA_FPOS":0.2835,"moe2D_PEOE_VSA_FPPOS":0.05389,"moe2D_PEOE_VSA_HYD":173.5,"moe2D_PEOE_VSA_NEG":137.3,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":54.33,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.612,"moe2D_Q_PC..1":-1.612,"moe2D_Q_RPC.":0.3004,"moe2D_Q_RPC..1":0.3457,"moe2D_Q_VSA_FHYD":0.707,"moe2D_Q_VSA_FNEG":0.7165,"moe2D_Q_VSA_FPNEG":0.1331,"moe2D_Q_VSA_FPOL":0.293,"moe2D_Q_VSA_FPOS":0.2835,"moe2D_Q_VSA_FPPOS":0.1598,"moe2D_Q_VSA_HYD":135.5,"moe2D_Q_VSA_NEG":137.3,"moe2D_Q_VSA_PNEG":25.51,"moe2D_Q_VSA_POL":56.13,"moe2D_Q_VSA_POS":54.33,"moe2D_Q_VSA_PPOS":30.62,"moe2D_SMR":4.822,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":56.44,"moe2D_SMR_VSA2":6.11,"moe2D_SMR_VSA3":25.03,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":91.91,"moe2D_SlogP":2.789,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":47.66,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":6.11,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":97.15,"moe2D_TPSA":44.02,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.294,"moe2D_VDistMa":6.62,"moe2D_Weight":276.9,"moe2D_a_IC":26.9,"moe2D_a_ICM":1.921,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":8,"moe2D_a_nBr":2,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":22.32,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":1,"moe2D_b_rotR":0.09091,"moe2D_b_single":7,"moe2D_b_triple":1,"moe2D_balabanJ":2.523,"moe2D_bpol":6.52,"moe2D_chi0":8.431,"moe2D_chi0_C":4.431,"moe2D_chi0v":8.477,"moe2D_chi0v_C":3.655,"moe2D_chi1":5.147,"moe2D_chi1_C":2.708,"moe2D_chi1v":4.316,"moe2D_chi1v_C":1.905,"moeGao_chi2_C":2.001,"moeGao_chi2v_C":1.158,"moeGao_chi3c":0.868,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.7062,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":3.783,"moeGao_chi3p_C":1.211,"moeGao_chi3pv":2.355,"moeGao_chi3pv_C":0.5997,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.471,"moeGao_chi4ca_C":0.7345,"moeGao_chi4cav":1.817,"moeGao_chi4cav_C":0.311,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.113,"moeGao_chi4pc_C":0.2357,"moeGao_chi4pcv":1.225,"moeGao_chi4pcv_C":0.08333,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.254,"moe2D_diameter":6,"moe2D_kS_aaCH":3.111,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.034,"moe2D_kS_aasC":0.6162,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":6.213,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.223,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":8.504,"moe2D_kS_tsC":1.965,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.924,"moe2D_logS":-3.555,"moe2D_mr":4.927,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":191.6,"moe2D_vdw_vol":220.8,"moe2D_vsa_acc":17.74,"moe2D_vsa_don":0,"moe2D_vsa_hyd":134,"moe2D_vsa_other":20.3,"moe2D_vsa_pol":31.31,"moe2D_weinerPath":148,"moe2D_weinerPol":15,"moe2D_zagreb":52}
{"Molecule":"1-decanol-(n-decyl-alcohol)","moeGao_Abra_L":5.614,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.385,"moeGao_Abra_pi":0.449,"moe2D_BCUT_PEOE_0":-2.715,"moe2D_BCUT_PEOE_1":-0.2155,"moe2D_BCUT_PEOE_2":0.2845,"moe2D_BCUT_PEOE_3":2.648,"moe2D_BCUT_SLOGP_0":-2.564,"moe2D_BCUT_SLOGP_1":-0.1259,"moe2D_BCUT_SLOGP_2":0.2762,"moe2D_BCUT_SLOGP_3":2.814,"moe2D_BCUT_SMR_0":-2.464,"moe2D_BCUT_SMR_1":-0.1217,"moe2D_BCUT_SMR_2":0.3499,"moe2D_BCUT_SMR_3":2.901,"moe2D_GCUT_PEOE_0":-0.8046,"moe2D_GCUT_PEOE_1":-0.2258,"moe2D_GCUT_PEOE_2":-0.0245,"moe2D_GCUT_PEOE_3":2.464,"moe2D_GCUT_SLOGP_0":-0.8737,"moe2D_GCUT_SLOGP_1":-0.1189,"moe2D_GCUT_SLOGP_2":-0.02476,"moe2D_GCUT_SLOGP_3":2.604,"moe2D_GCUT_SMR_0":-0.5338,"moe2D_GCUT_SMR_1":-0.1186,"moe2D_GCUT_SMR_2":0.04279,"moe2D_GCUT_SMR_3":2.676,"moe2D_Kier1":11,"moe2D_Kier2":10,"moe2D_Kier3":10,"moe2D_KierA1":11,"moe2D_KierA2":10,"moe2D_KierA3":10,"moe2D_KierFlex":10,"moe2D_PEOE_PC.":0.8624,"moe2D_PEOE_PC..1":-0.8624,"moe2D_PEOE_RPC.":0.2428,"moe2D_PEOE_RPC..1":0.458,"moe2D_PEOE_VSA.0":95.99,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":79.66,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9142,"moe2D_PEOE_VSA_FNEG":0.4556,"moe2D_PEOE_VSA_FPNEG":0.03682,"moe2D_PEOE_VSA_FPOL":0.08575,"moe2D_PEOE_VSA_FPOS":0.5444,"moe2D_PEOE_VSA_FPPOS":0.04894,"moe2D_PEOE_VSA_HYD":192.9,"moe2D_PEOE_VSA_NEG":96.13,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":114.8,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8434,"moe2D_Q_VSA_FNEG":0.03682,"moe2D_Q_VSA_FPNEG":0.03682,"moe2D_Q_VSA_FPOL":0.1566,"moe2D_Q_VSA_FPOS":0.9632,"moe2D_Q_VSA_FPPOS":0.1198,"moe2D_Q_VSA_HYD":177.9,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":203.2,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":4.97,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":150.9,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":3.119,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":150.9,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.6468,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":3.104,"moe2D_VDistMa":6.508,"moe2D_Weight":158.3,"moe2D_a_IC":35.14,"moe2D_a_ICM":1.065,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":33,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":22,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":33.07,"moe2D_b_1rotN":8,"moe2D_b_1rotR":0.8,"moe2D_b_ar":0,"moe2D_b_count":32,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":8,"moe2D_b_rotR":0.8,"moe2D_b_single":32,"moe2D_b_triple":0,"moe2D_balabanJ":2.691,"moe2D_bpol":24.05,"moe2D_chi0":8.364,"moe2D_chi0_C":7.364,"moe2D_chi0v":7.811,"moe2D_chi0v_C":7.364,"moe2D_chi1":5.414,"moe2D_chi1_C":4.707,"moe2D_chi1v":5.023,"moe2D_chi1v_C":4.707,"moeGao_chi2_C":2.975,"moeGao_chi2v_C":2.975,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.207,"moeGao_chi3p_C":1.854,"moeGao_chi3pv":2.012,"moeGao_chi3pv_C":1.854,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.384,"moeGao_chi4ca_C":1.134,"moeGao_chi4cav":1.246,"moeGao_chi4cav_C":1.134,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5935,"moe2D_diameter":10,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.242,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.507,"moe2D_kS_ssCH2":10.75,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.645,"moe2D_logS":-3.524,"moe2D_mr":5.037,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":8,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":211,"moe2D_vdw_vol":266.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":177.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":220,"moe2D_weinerPol":8,"moe2D_zagreb":38}
{"Molecule":"1-dodecanol","moeGao_Abra_L":6.552,"moeGao_Abra_R":0.341,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.407,"moeGao_Abra_pi":0.549,"moe2D_BCUT_PEOE_0":-2.718,"moe2D_BCUT_PEOE_1":-0.4858,"moe2D_BCUT_PEOE_2":0.6106,"moe2D_BCUT_PEOE_3":2.648,"moe2D_BCUT_SLOGP_0":-2.543,"moe2D_BCUT_SLOGP_1":-0.4117,"moe2D_BCUT_SLOGP_2":0.69,"moe2D_BCUT_SLOGP_3":2.822,"moe2D_BCUT_SMR_0":-2.464,"moe2D_BCUT_SMR_1":-0.3871,"moe2D_BCUT_SMR_2":0.7037,"moe2D_BCUT_SMR_3":2.903,"moe2D_GCUT_PEOE_0":-0.8028,"moe2D_GCUT_PEOE_1":-0.306,"moe2D_GCUT_PEOE_2":0.08767,"moe2D_GCUT_PEOE_3":2.503,"moe2D_GCUT_SLOGP_0":-0.6822,"moe2D_GCUT_SLOGP_1":-0.2212,"moe2D_GCUT_SLOGP_2":0.1635,"moe2D_GCUT_SLOGP_3":2.657,"moe2D_GCUT_SMR_0":-0.5336,"moe2D_GCUT_SMR_1":-0.1796,"moe2D_GCUT_SMR_2":0.1707,"moe2D_GCUT_SMR_3":2.721,"moe2D_Kier1":13,"moe2D_Kier2":12,"moe2D_Kier3":12,"moe2D_KierA1":12.19,"moe2D_KierA2":11.19,"moe2D_KierA3":11.14,"moe2D_KierFlex":10.5,"moe2D_PEOE_PC.":0.951,"moe2D_PEOE_PC..1":-0.951,"moe2D_PEOE_RPC.":0.2277,"moe2D_PEOE_RPC..1":0.3867,"moe2D_PEOE_VSA.0":108.1,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":91.91,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9259,"moe2D_PEOE_VSA_FNEG":0.4798,"moe2D_PEOE_VSA_FPNEG":0.03183,"moe2D_PEOE_VSA_FPOL":0.07414,"moe2D_PEOE_VSA_FPOS":0.5202,"moe2D_PEOE_VSA_FPPOS":0.04231,"moe2D_PEOE_VSA_HYD":225.9,"moe2D_PEOE_VSA_NEG":117.1,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":126.9,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.8882,"moe2D_Q_PC..1":-0.8882,"moe2D_Q_RPC.":0.5066,"moe2D_Q_RPC..1":0.593,"moe2D_Q_VSA_FHYD":0.8756,"moe2D_Q_VSA_FNEG":0.1579,"moe2D_Q_VSA_FPNEG":0.08205,"moe2D_Q_VSA_FPOL":0.1244,"moe2D_Q_VSA_FPOS":0.8421,"moe2D_Q_VSA_FPPOS":0.04231,"moe2D_Q_VSA_HYD":213.7,"moe2D_Q_VSA_NEG":38.53,"moe2D_Q_VSA_PNEG":20.02,"moe2D_Q_VSA_POL":30.35,"moe2D_Q_VSA_POS":205.5,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":5.9,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":25.39,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":207.2,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":4.589,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":25.39,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":37.34,"moe2D_SlogP_VSA8":169.8,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.5895,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":3.358,"moe2D_VDistMa":6.997,"moe2D_Weight":184.3,"moe2D_a_IC":39.69,"moe2D_a_ICM":1.073,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":37,"moe2D_a_don":1,"moe2D_a_heavy":13,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":24,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":37.93,"moe2D_b_1rotN":9,"moe2D_b_1rotR":0.75,"moe2D_b_ar":0,"moe2D_b_count":36,"moe2D_b_double":1,"moe2D_b_heavy":12,"moe2D_b_rotN":9,"moe2D_b_rotR":0.75,"moe2D_b_single":35,"moe2D_b_triple":0,"moe2D_balabanJ":2.761,"moe2D_bpol":26.24,"moe2D_chi0":9.778,"moe2D_chi0_C":8.778,"moe2D_chi0v":8.966,"moe2D_chi0v_C":8.519,"moe2D_chi1":6.414,"moe2D_chi1_C":5.707,"moe2D_chi1v":5.707,"moe2D_chi1v_C":5.449,"moeGao_chi2_C":3.682,"moeGao_chi2v_C":3.499,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.707,"moeGao_chi3p_C":2.354,"moeGao_chi3pv":2.33,"moeGao_chi3pv_C":2.224,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":1.487,"moeGao_chi4cav":1.471,"moeGao_chi4cav_C":1.396,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5952,"moe2D_diameter":12,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":2.984,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.251,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.386,"moe2D_kS_ssCH2":11.88,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.305,"moe2D_logS":-4.116,"moe2D_mr":5.927,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":9,"moe2D_opr_violation":1,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":6,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":244,"moe2D_vdw_vol":309.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":209.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":364,"moe2D_weinerPol":10,"moe2D_zagreb":46}
{"Molecule":"1-heptanol(heptanol)","moeGao_Abra_L":4.117,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.385,"moeGao_Abra_pi":0.449,"moe2D_BCUT_PEOE_0":-2.675,"moe2D_BCUT_PEOE_1":-0.2157,"moe2D_BCUT_PEOE_2":0.2852,"moe2D_BCUT_PEOE_3":2.614,"moe2D_BCUT_SLOGP_0":-2.545,"moe2D_BCUT_SLOGP_1":-0.132,"moe2D_BCUT_SLOGP_2":0.2762,"moe2D_BCUT_SLOGP_3":2.768,"moe2D_BCUT_SMR_0":-2.427,"moe2D_BCUT_SMR_1":-0.1219,"moe2D_BCUT_SMR_2":0.35,"moe2D_BCUT_SMR_3":2.862,"moe2D_GCUT_PEOE_0":-0.803,"moe2D_GCUT_PEOE_1":-0.2267,"moe2D_GCUT_PEOE_2":-0.02212,"moe2D_GCUT_PEOE_3":2.284,"moe2D_GCUT_SLOGP_0":-0.8737,"moe2D_GCUT_SLOGP_1":-0.1232,"moe2D_GCUT_SLOGP_2":-0.02476,"moe2D_GCUT_SLOGP_3":2.412,"moe2D_GCUT_SMR_0":-0.5316,"moe2D_GCUT_SMR_1":-0.1209,"moe2D_GCUT_SMR_2":0.04307,"moe2D_GCUT_SMR_3":2.495,"moe2D_Kier1":8,"moe2D_Kier2":7,"moe2D_Kier3":7.2,"moe2D_KierA1":8,"moe2D_KierA2":7,"moe2D_KierA3":7.2,"moe2D_KierFlex":7,"moe2D_PEOE_PC.":0.7032,"moe2D_PEOE_PC..1":-0.7032,"moe2D_PEOE_RPC.":0.2978,"moe2D_PEOE_RPC..1":0.5617,"moe2D_PEOE_VSA.0":70.4,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":53.55,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8864,"moe2D_PEOE_VSA_FNEG":0.4396,"moe2D_PEOE_VSA_FPNEG":0.04877,"moe2D_PEOE_VSA_FPOL":0.1136,"moe2D_PEOE_VSA_FPOS":0.5604,"moe2D_PEOE_VSA_FPPOS":0.06482,"moe2D_PEOE_VSA_HYD":141.2,"moe2D_PEOE_VSA_NEG":70.02,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":89.26,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7925,"moe2D_Q_VSA_FNEG":0.04877,"moe2D_Q_VSA_FPNEG":0.04877,"moe2D_Q_VSA_FPOL":0.2075,"moe2D_Q_VSA_FPOS":0.9512,"moe2D_Q_VSA_FPPOS":0.1587,"moe2D_Q_VSA_HYD":126.2,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":151.5,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":3.584,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":94.34,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.949,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":94.34,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":2.61,"moe2D_VDistMa":5.568,"moe2D_Weight":116.2,"moe2D_a_IC":26.39,"moe2D_a_ICM":1.099,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":24,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":16,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":23.79,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.7143,"moe2D_b_ar":0,"moe2D_b_count":23,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":5,"moe2D_b_rotR":0.7143,"moe2D_b_single":23,"moe2D_b_triple":0,"moe2D_balabanJ":2.53,"moe2D_bpol":17.49,"moe2D_chi0":6.243,"moe2D_chi0_C":5.243,"moe2D_chi0v":5.69,"moe2D_chi0v_C":5.243,"moe2D_chi1":3.914,"moe2D_chi1_C":3.207,"moe2D_chi1v":3.523,"moe2D_chi1v_C":3.207,"moeGao_chi2_C":1.914,"moeGao_chi2v_C":1.914,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.457,"moeGao_chi3p_C":1.104,"moeGao_chi3pv":1.262,"moeGao_chi3pv_C":1.104,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.8536,"moeGao_chi4ca_C":0.6036,"moeGao_chi4cav":0.7154,"moeGao_chi4cav_C":0.6036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6008,"moe2D_diameter":7,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.193,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.366,"moe2D_kS_ssCH2":6.441,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.319,"moe2D_logS":-1.978,"moe2D_mr":3.652,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":159.3,"moe2D_vdw_vol":193.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":130.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":84,"moe2D_weinerPol":5,"moe2D_zagreb":26}
{"Molecule":"1-hexanol","moeGao_Abra_L":3.618,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.385,"moeGao_Abra_pi":0.449,"moe2D_BCUT_PEOE_0":-2.652,"moe2D_BCUT_PEOE_1":-0.2159,"moe2D_BCUT_PEOE_2":0.2857,"moe2D_BCUT_PEOE_3":2.593,"moe2D_BCUT_SLOGP_0":-2.535,"moe2D_BCUT_SLOGP_1":-0.1361,"moe2D_BCUT_SLOGP_2":0.2762,"moe2D_BCUT_SLOGP_3":2.739,"moe2D_BCUT_SMR_0":-2.406,"moe2D_BCUT_SMR_1":-0.1222,"moe2D_BCUT_SMR_2":0.3502,"moe2D_BCUT_SMR_3":2.839,"moe2D_GCUT_PEOE_0":-0.8026,"moe2D_GCUT_PEOE_1":-0.2271,"moe2D_GCUT_PEOE_2":-0.02041,"moe2D_GCUT_PEOE_3":2.201,"moe2D_GCUT_SLOGP_0":-0.8737,"moe2D_GCUT_SLOGP_1":-0.1257,"moe2D_GCUT_SLOGP_2":-0.02476,"moe2D_GCUT_SLOGP_3":2.321,"moe2D_GCUT_SMR_0":-0.5313,"moe2D_GCUT_SMR_1":-0.1219,"moe2D_GCUT_SMR_2":0.04333,"moe2D_GCUT_SMR_3":2.41,"moe2D_Kier1":7,"moe2D_Kier2":6,"moe2D_Kier3":6,"moe2D_KierA1":7,"moe2D_KierA2":6,"moe2D_KierA3":6,"moe2D_KierFlex":6,"moe2D_PEOE_PC.":0.6501,"moe2D_PEOE_PC..1":-0.6501,"moe2D_PEOE_RPC.":0.3221,"moe2D_PEOE_RPC..1":0.6076,"moe2D_PEOE_VSA.0":61.87,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":44.85,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8726,"moe2D_PEOE_VSA_FNEG":0.4317,"moe2D_PEOE_VSA_FPNEG":0.05468,"moe2D_PEOE_VSA_FPOL":0.1274,"moe2D_PEOE_VSA_FPOS":0.5683,"moe2D_PEOE_VSA_FPPOS":0.07268,"moe2D_PEOE_VSA_HYD":124,"moe2D_PEOE_VSA_NEG":61.32,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":80.73,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7674,"moe2D_Q_VSA_FNEG":0.05468,"moe2D_Q_VSA_FPNEG":0.05468,"moe2D_Q_VSA_FPOL":0.2326,"moe2D_Q_VSA_FPOS":0.9453,"moe2D_Q_VSA_FPPOS":0.1779,"moe2D_Q_VSA_HYD":109,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":134.3,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":3.123,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.559,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":2.398,"moe2D_VDistMa":5.169,"moe2D_Weight":102.2,"moe2D_a_IC":23.43,"moe2D_a_ICM":1.116,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":21,"moe2D_a_don":1,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":20.7,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.6667,"moe2D_b_ar":0,"moe2D_b_count":20,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":4,"moe2D_b_rotR":0.6667,"moe2D_b_single":20,"moe2D_b_triple":0,"moe2D_balabanJ":2.447,"moe2D_bpol":15.3,"moe2D_chi0":5.536,"moe2D_chi0_C":4.536,"moe2D_chi0v":4.983,"moe2D_chi0v_C":4.536,"moe2D_chi1":3.414,"moe2D_chi1_C":2.707,"moe2D_chi1v":3.023,"moe2D_chi1v_C":2.707,"moeGao_chi2_C":1.561,"moeGao_chi2v_C":1.561,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.207,"moeGao_chi3p_C":0.8536,"moeGao_chi3pv":1.012,"moeGao_chi3pv_C":0.8536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6768,"moeGao_chi4ca_C":0.4268,"moeGao_chi4cav":0.5386,"moeGao_chi4cav_C":0.4268,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6046,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.164,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.293,"moe2D_kS_ssCH2":5.043,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.877,"moe2D_logS":-1.463,"moe2D_mr":3.19,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":142,"moe2D_vdw_vol":169,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":114.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":56,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"1-hydroxy-3-methoxybenzene(3-hydroxyanisole)","moeGao_Abra_L":4.221,"moeGao_Abra_R":0.837,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.394,"moeGao_Abra_pi":0.813,"moe2D_BCUT_PEOE_0":-2.25,"moe2D_BCUT_PEOE_1":-0.6126,"moe2D_BCUT_PEOE_2":0.601,"moe2D_BCUT_PEOE_3":2.194,"moe2D_BCUT_SLOGP_0":-2.243,"moe2D_BCUT_SLOGP_1":-0.5412,"moe2D_BCUT_SLOGP_2":0.708,"moe2D_BCUT_SLOGP_3":2.39,"moe2D_BCUT_SMR_0":-1.966,"moe2D_BCUT_SMR_1":-0.4261,"moe2D_BCUT_SMR_2":0.7765,"moe2D_BCUT_SMR_3":2.489,"moe2D_GCUT_PEOE_0":-0.7888,"moe2D_GCUT_PEOE_1":-0.4266,"moe2D_GCUT_PEOE_2":0.02967,"moe2D_GCUT_PEOE_3":1.977,"moe2D_GCUT_SLOGP_0":-0.8868,"moe2D_GCUT_SLOGP_1":-0.3433,"moe2D_GCUT_SLOGP_2":0.1409,"moe2D_GCUT_SLOGP_3":2.172,"moe2D_GCUT_SMR_0":-0.4835,"moe2D_GCUT_SMR_1":-0.2077,"moe2D_GCUT_SMR_2":0.1608,"moe2D_GCUT_SMR_3":2.262,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":2,"moe2D_KierA1":5.29,"moe2D_KierA2":2.309,"moe2D_KierA3":1.366,"moe2D_KierFlex":1.357,"moe2D_PEOE_PC.":0.8297,"moe2D_PEOE_PC..1":-0.8297,"moe2D_PEOE_RPC.":0.2619,"moe2D_PEOE_RPC..1":0.4336,"moe2D_PEOE_VSA.0":25,"moe2D_PEOE_VSA.1":46.77,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":12.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":10.27,"moe2D_PEOE_VSA_FHYD":0.8543,"moe2D_PEOE_VSA_FNEG":0.4194,"moe2D_PEOE_VSA_FPNEG":0.07265,"moe2D_PEOE_VSA_FPOL":0.1457,"moe2D_PEOE_VSA_FPOS":0.5806,"moe2D_PEOE_VSA_FPPOS":0.07302,"moe2D_PEOE_VSA_HYD":120.8,"moe2D_PEOE_VSA_NEG":59.29,"moe2D_PEOE_VSA_PNEG":10.27,"moe2D_PEOE_VSA_POL":20.6,"moe2D_PEOE_VSA_POS":82.1,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.495,"moe2D_Q_PC..1":-1.495,"moe2D_Q_RPC.":0.301,"moe2D_Q_RPC..1":0.3562,"moe2D_Q_VSA_FHYD":0.6775,"moe2D_Q_VSA_FNEG":0.4194,"moe2D_Q_VSA_FPNEG":0.07265,"moe2D_Q_VSA_FPOL":0.3225,"moe2D_Q_VSA_FPOS":0.5806,"moe2D_Q_VSA_FPPOS":0.2498,"moe2D_Q_VSA_HYD":95.79,"moe2D_Q_VSA_NEG":59.29,"moe2D_Q_VSA_PNEG":10.27,"moe2D_Q_VSA_POL":45.59,"moe2D_Q_VSA_POS":82.1,"moe2D_Q_VSA_PPOS":35.32,"moe2D_SMR":3.466,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":36.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.49,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":35.38,"moe2D_SlogP":1.401,"moe2D_SlogP_VSA0":36.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":35.38,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":10.49,"moe2D_TPSA":29.46,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.15,"moe2D_VDistMa":6.005,"moe2D_Weight":124.1,"moe2D_a_IC":23.84,"moe2D_a_ICM":1.402,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":17,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":19.26,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":17,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.286,"moe2D_bpol":10.66,"moe2D_chi0":6.69,"moe2D_chi0_C":4.983,"moe2D_chi0v":5.165,"moe2D_chi0v_C":4.309,"moe2D_chi1":4.326,"moe2D_chi1_C":2.633,"moe2D_chi1v":2.657,"moe2D_chi1v_C":1.821,"moeGao_chi2_C":1.744,"moeGao_chi2v_C":1.003,"moeGao_chi3c":0.4928,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1426,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.622,"moeGao_chi3p_C":1.15,"moeGao_chi3pv":1.053,"moeGao_chi3pv_C":0.5516,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.931,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.6105,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8371,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2216,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7197,"moe2D_diameter":5,"moe2D_kS_aaCH":6.663,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.9068,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.564,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.864,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.835,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.591,"moe2D_logS":-1.073,"moe2D_mr":3.537,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":141.4,"moe2D_vdw_vol":172.5,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":115.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":16.07,"moe2D_weinerPath":88,"moe2D_weinerPol":9,"moe2D_zagreb":40}
{"Molecule":"1-methylheptylamine(2-octanamine)","moeGao_Abra_L":4.547,"moeGao_Abra_R":0.214,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.577,"moeGao_Abra_pi":0.338,"moe2D_BCUT_PEOE_0":-2.708,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.1185,"moe2D_BCUT_PEOE_3":2.637,"moe2D_BCUT_SLOGP_0":-2.731,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.775,"moe2D_BCUT_SMR_0":-2.451,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.893,"moe2D_GCUT_PEOE_0":-0.8412,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04154,"moe2D_GCUT_PEOE_3":2.388,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.498,"moe2D_GCUT_SMR_0":-0.5318,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.606,"moe2D_Kier1":9,"moe2D_Kier2":6.125,"moe2D_Kier3":8,"moe2D_KierA1":9,"moe2D_KierA2":6.125,"moe2D_KierA3":8,"moe2D_KierFlex":6.125,"moe2D_PEOE_PC.":0.6946,"moe2D_PEOE_PC..1":-0.6946,"moe2D_PEOE_RPC.":0.1706,"moe2D_PEOE_RPC..1":0.4715,"moe2D_PEOE_VSA.0":75.66,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":53.55,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9632,"moe2D_PEOE_VSA_FNEG":0.4855,"moe2D_PEOE_VSA_FPNEG":0.03684,"moe2D_PEOE_VSA_FPOL":0.03684,"moe2D_PEOE_VSA_FPOS":0.5145,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":173.9,"moe2D_PEOE_VSA_NEG":87.65,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":92.9,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8503,"moe2D_Q_VSA_FNEG":0.03684,"moe2D_Q_VSA_FPNEG":0.03684,"moe2D_Q_VSA_FPOL":0.1497,"moe2D_Q_VSA_FPOS":0.9632,"moe2D_Q_VSA_FPPOS":0.1129,"moe2D_Q_VSA_HYD":153.5,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":27.04,"moe2D_Q_VSA_POS":173.9,"moe2D_Q_VSA_PPOS":20.38,"moe2D_SMR":4.241,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.982,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":94.34,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.304,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":3.982,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":94.34,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.673,"moe2D_VDistMa":5.931,"moe2D_Weight":129.2,"moe2D_a_IC":29.9,"moe2D_a_ICM":1.068,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":28,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":19,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":27.85,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.625,"moe2D_b_ar":0,"moe2D_b_count":27,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":5,"moe2D_b_rotR":0.625,"moe2D_b_single":27,"moe2D_b_triple":0,"moe2D_balabanJ":2.747,"moe2D_bpol":20.11,"moe2D_chi0":7.113,"moe2D_chi0_C":6.113,"moe2D_chi0v":6.69,"moe2D_chi0v_C":6.113,"moe2D_chi1":4.27,"moe2D_chi1_C":3.693,"moe2D_chi1v":4.026,"moe2D_chi1v_C":3.693,"moeGao_chi2_C":2.258,"moeGao_chi2v_C":2.258,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2357,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.635,"moeGao_chi3p_C":1.346,"moeGao_chi3pv":1.513,"moeGao_chi3pv_C":1.346,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.9794,"moeGao_chi4ca_C":0.7752,"moeGao_chi4cav":0.8931,"moeGao_chi4cav_C":0.7752,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1667,"moeGao_chi4pcv_C":0,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.577,"moe2D_diameter":7,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.303,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.575,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":6.551,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.4045,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.559,"moe2D_logS":-2.199,"moe2D_mr":4.192,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":180.5,"moe2D_vdw_vol":224,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":144.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":114,"moe2D_weinerPol":6,"moe2D_zagreb":32}
{"Molecule":"1-methylnaphthalene","moeGao_Abra_L":5.846,"moeGao_Abra_R":1.4,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.193,"moeGao_Abra_pi":0.895,"moe2D_BCUT_PEOE_0":-2.295,"moe2D_BCUT_PEOE_1":-0.5766,"moe2D_BCUT_PEOE_2":0.6315,"moe2D_BCUT_PEOE_3":2.239,"moe2D_BCUT_SLOGP_0":-2.114,"moe2D_BCUT_SLOGP_1":-0.4668,"moe2D_BCUT_SLOGP_2":0.7395,"moe2D_BCUT_SLOGP_3":2.431,"moe2D_BCUT_SMR_0":-1.981,"moe2D_BCUT_SMR_1":-0.433,"moe2D_BCUT_SMR_2":0.7856,"moe2D_BCUT_SMR_3":2.578,"moe2D_GCUT_PEOE_0":-0.7569,"moe2D_GCUT_PEOE_1":-0.3678,"moe2D_GCUT_PEOE_2":0.06872,"moe2D_GCUT_PEOE_3":2.227,"moe2D_GCUT_SLOGP_0":-0.6007,"moe2D_GCUT_SLOGP_1":-0.2389,"moe2D_GCUT_SLOGP_2":0.1524,"moe2D_GCUT_SLOGP_3":2.424,"moe2D_GCUT_SMR_0":-0.4787,"moe2D_GCUT_SMR_1":-0.1915,"moe2D_GCUT_SMR_2":0.1795,"moe2D_GCUT_SMR_3":2.559,"moe2D_Kier1":7.639,"moe2D_Kier2":3.164,"moe2D_Kier3":1.451,"moe2D_KierA1":5.099,"moe2D_KierA2":2.015,"moe2D_KierA3":0.8856,"moe2D_KierFlex":0.9339,"moe2D_PEOE_PC.":0.5178,"moe2D_PEOE_PC..1":-0.5178,"moe2D_PEOE_RPC.":0.1205,"moe2D_PEOE_RPC..1":0.1181,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":29.86,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":25.37,"moe2D_PEOE_VSA.1.1":85.78,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7227,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2773,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":153.8,"moe2D_PEOE_VSA_NEG":111.2,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":42.65,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.193,"moe2D_Q_PC..1":-1.193,"moe2D_Q_RPC.":0.1257,"moe2D_Q_RPC..1":0.1257,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.5721,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.4279,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":153.8,"moe2D_Q_VSA_NEG":87.99,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":65.82,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.869,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":5.146,"moe2D_SMR_VSA5":123.5,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":3.148,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":128.6,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7186,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.165,"moe2D_VDistMa":6.628,"moe2D_Weight":142.2,"moe2D_a_IC":20.97,"moe2D_a_ICM":0.9984,"moe2D_a_acc":0,"moe2D_a_aro":10,"moe2D_a_count":21,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":11,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":26.03,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":11,"moe2D_b_count":22,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.035,"moe2D_bpol":10.93,"moe2D_chi0":7.682,"moe2D_chi0_C":7.682,"moe2D_chi0v":6.541,"moe2D_chi0v_C":6.541,"moe2D_chi1":5.377,"moe2D_chi1_C":5.377,"moe2D_chi1v":3.821,"moe2D_chi1v_C":3.821,"moeGao_chi2_C":4.617,"moeGao_chi2v_C":2.796,"moeGao_chi3c":0.5385,"moeGao_chi3c_C":0.5385,"moeGao_chi3cv":0.2998,"moeGao_chi3cv_C":0.2998,"moeGao_chi3p":3.933,"moeGao_chi3p_C":3.933,"moeGao_chi3pv":2.008,"moeGao_chi3pv_C":2.008,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.26,"moeGao_chi4ca_C":3.26,"moeGao_chi4cav":1.387,"moeGao_chi4cav_C":1.387,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.44,"moeGao_chi4pc_C":1.44,"moeGao_chi4pcv":0.6637,"moeGao_chi4pcv_C":0.6637,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6311,"moe2D_diameter":5,"moe2D_kS_aaCH":14.83,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":2.683,"moe2D_kS_aasC":1.35,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.141,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.595,"moe2D_logS":-3.737,"moe2D_mr":4.787,"moe2D_opr_brigid":11,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":153.8,"moe2D_vdw_vol":225.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":146.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":140,"moe2D_weinerPol":15,"moe2D_zagreb":56}
{"Molecule":"1-naphthalenol(1-naphthol)","moeGao_Abra_L":6.197,"moeGao_Abra_R":1.565,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.493,"moeGao_Abra_pi":1.217,"moe2D_BCUT_PEOE_0":-2.215,"moe2D_BCUT_PEOE_1":-0.6199,"moe2D_BCUT_PEOE_2":0.68,"moe2D_BCUT_PEOE_3":2.168,"moe2D_BCUT_SLOGP_0":-1.996,"moe2D_BCUT_SLOGP_1":-0.5184,"moe2D_BCUT_SLOGP_2":0.7438,"moe2D_BCUT_SLOGP_3":2.411,"moe2D_BCUT_SMR_0":-1.866,"moe2D_BCUT_SMR_1":-0.4714,"moe2D_BCUT_SMR_2":0.8315,"moe2D_BCUT_SMR_3":2.525,"moe2D_GCUT_PEOE_0":-0.7621,"moe2D_GCUT_PEOE_1":-0.392,"moe2D_GCUT_PEOE_2":0.08644,"moe2D_GCUT_PEOE_3":2.157,"moe2D_GCUT_SLOGP_0":-0.7618,"moe2D_GCUT_SLOGP_1":-0.2543,"moe2D_GCUT_SLOGP_2":0.1489,"moe2D_GCUT_SLOGP_3":2.376,"moe2D_GCUT_SMR_0":-0.4273,"moe2D_GCUT_SMR_1":-0.2061,"moe2D_GCUT_SMR_2":0.2046,"moe2D_GCUT_SMR_3":2.49,"moe2D_Kier1":7.639,"moe2D_Kier2":3.164,"moe2D_Kier3":1.451,"moe2D_KierA1":5.099,"moe2D_KierA2":2.015,"moe2D_KierA3":0.8856,"moe2D_KierFlex":0.9339,"moe2D_PEOE_PC.":0.7464,"moe2D_PEOE_PC..1":-0.7464,"moe2D_PEOE_RPC.":0.2912,"moe2D_PEOE_RPC..1":0.4813,"moe2D_PEOE_VSA.0":2.209,"moe2D_PEOE_VSA.1":38.32,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":14.46,"moe2D_PEOE_VSA.1.1":73.53,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8766,"moe2D_PEOE_VSA_FNEG":0.6532,"moe2D_PEOE_VSA_FPNEG":0.05298,"moe2D_PEOE_VSA_FPOL":0.1234,"moe2D_PEOE_VSA_FPOS":0.3468,"moe2D_PEOE_VSA_FPPOS":0.07042,"moe2D_PEOE_VSA_HYD":128.5,"moe2D_PEOE_VSA_NEG":95.76,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":50.85,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.582,"moe2D_Q_PC..1":-1.583,"moe2D_Q_RPC.":0.2844,"moe2D_Q_RPC..1":0.3365,"moe2D_Q_VSA_FHYD":0.8766,"moe2D_Q_VSA_FNEG":0.6381,"moe2D_Q_VSA_FPNEG":0.05298,"moe2D_Q_VSA_FPOL":0.1234,"moe2D_Q_VSA_FPOS":0.3619,"moe2D_Q_VSA_FPPOS":0.07042,"moe2D_Q_VSA_HYD":128.5,"moe2D_Q_VSA_NEG":93.55,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":53.06,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":4.561,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.243,"moe2D_SMR_VSA4":5.146,"moe2D_SMR_VSA5":123.5,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":2.545,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":128.6,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":5.243,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7186,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.165,"moe2D_VDistMa":6.628,"moe2D_Weight":144.2,"moe2D_a_IC":23.49,"moe2D_a_ICM":1.236,"moe2D_a_acc":1,"moe2D_a_aro":10,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":23.74,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":11,"moe2D_b_count":20,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":2.035,"moe2D_bpol":8.746,"moe2D_chi0":7.682,"moe2D_chi0_C":6.682,"moe2D_chi0v":5.989,"moe2D_chi0v_C":5.541,"moe2D_chi1":5.377,"moe2D_chi1_C":4.8,"moe2D_chi1v":3.545,"moe2D_chi1v_C":3.321,"moeGao_chi2_C":3.875,"moeGao_chi2v_C":2.257,"moeGao_chi3c":0.5385,"moeGao_chi3c_C":0.3027,"moeGao_chi3cv":0.2201,"moeGao_chi3cv_C":0.1555,"moeGao_chi3p":3.933,"moeGao_chi3p_C":3.216,"moeGao_chi3pv":1.767,"moeGao_chi3pv_C":1.572,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.26,"moeGao_chi4ca_C":2.617,"moeGao_chi4cav":1.208,"moeGao_chi4cav_C":1.063,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.44,"moeGao_chi4pc_C":0.8347,"moeGao_chi4pcv":0.4918,"moeGao_chi4pcv_C":0.3527,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6885,"moe2D_diameter":5,"moe2D_kS_aaCH":13.29,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.988,"moe2D_kS_aasC":0.3501,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.371,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.818,"moe2D_logS":-2.901,"moe2D_mr":4.51,"moe2D_opr_brigid":11,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":146.6,"moe2D_vdw_vol":209.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":123.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":140,"moe2D_weinerPol":15,"moe2D_zagreb":56}
{"Molecule":"1-nonanol","moeGao_Abra_L":5.115,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.385,"moeGao_Abra_pi":0.449,"moe2D_BCUT_PEOE_0":-2.705,"moe2D_BCUT_PEOE_1":-0.2156,"moe2D_BCUT_PEOE_2":0.2846,"moe2D_BCUT_PEOE_3":2.64,"moe2D_BCUT_SLOGP_0":-2.559,"moe2D_BCUT_SLOGP_1":-0.1273,"moe2D_BCUT_SLOGP_2":0.2762,"moe2D_BCUT_SLOGP_3":2.803,"moe2D_BCUT_SMR_0":-2.455,"moe2D_BCUT_SMR_1":-0.1218,"moe2D_BCUT_SMR_2":0.3499,"moe2D_BCUT_SMR_3":2.891,"moe2D_GCUT_PEOE_0":-0.8044,"moe2D_GCUT_PEOE_1":-0.2261,"moe2D_GCUT_PEOE_2":-0.02397,"moe2D_GCUT_PEOE_3":2.413,"moe2D_GCUT_SLOGP_0":-0.8737,"moe2D_GCUT_SLOGP_1":-0.12,"moe2D_GCUT_SLOGP_2":-0.02476,"moe2D_GCUT_SLOGP_3":2.55,"moe2D_GCUT_SMR_0":-0.5329,"moe2D_GCUT_SMR_1":-0.1193,"moe2D_GCUT_SMR_2":0.04284,"moe2D_GCUT_SMR_3":2.625,"moe2D_Kier1":10,"moe2D_Kier2":9,"moe2D_Kier3":9.143,"moe2D_KierA1":10,"moe2D_KierA2":9,"moe2D_KierA3":9.143,"moe2D_KierFlex":9,"moe2D_PEOE_PC.":0.8093,"moe2D_PEOE_PC..1":-0.8093,"moe2D_PEOE_RPC.":0.2587,"moe2D_PEOE_RPC..1":0.4881,"moe2D_PEOE_VSA.0":87.46,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":70.96,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9066,"moe2D_PEOE_VSA_FNEG":0.4512,"moe2D_PEOE_VSA_FPNEG":0.04009,"moe2D_PEOE_VSA_FPOL":0.09338,"moe2D_PEOE_VSA_FPOS":0.5488,"moe2D_PEOE_VSA_FPPOS":0.05329,"moe2D_PEOE_VSA_HYD":175.7,"moe2D_PEOE_VSA_NEG":87.42,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":106.3,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8294,"moe2D_Q_VSA_FNEG":0.04009,"moe2D_Q_VSA_FPNEG":0.04009,"moe2D_Q_VSA_FPOL":0.1706,"moe2D_Q_VSA_FPOS":0.9599,"moe2D_Q_VSA_FPPOS":0.1305,"moe2D_Q_VSA_HYD":160.7,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":186,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":4.508,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":132.1,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":2.729,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":132.1,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.957,"moe2D_VDistMa":6.228,"moe2D_Weight":144.3,"moe2D_a_IC":32.24,"moe2D_a_ICM":1.075,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":30,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":20,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":29.98,"moe2D_b_1rotN":7,"moe2D_b_1rotR":0.7778,"moe2D_b_ar":0,"moe2D_b_count":29,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":7,"moe2D_b_rotR":0.7778,"moe2D_b_single":29,"moe2D_b_triple":0,"moe2D_balabanJ":2.648,"moe2D_bpol":21.86,"moe2D_chi0":7.657,"moe2D_chi0_C":6.657,"moe2D_chi0v":7.104,"moe2D_chi0v_C":6.657,"moe2D_chi1":4.914,"moe2D_chi1_C":4.207,"moe2D_chi1v":4.523,"moe2D_chi1v_C":4.207,"moeGao_chi2_C":2.621,"moeGao_chi2v_C":2.621,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.957,"moeGao_chi3p_C":1.604,"moeGao_chi3pv":1.762,"moeGao_chi3pv_C":1.604,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.207,"moeGao_chi4ca_C":0.9571,"moeGao_chi4cav":1.069,"moeGao_chi4cav_C":0.9571,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5954,"moe2D_diameter":9,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.23,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.469,"moe2D_kS_ssCH2":9.301,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.203,"moe2D_logS":-3.008,"moe2D_mr":4.576,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":7,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":193.7,"moe2D_vdw_vol":242.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":162.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":165,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"1-octanol","moeGao_Abra_L":4.616,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.385,"moeGao_Abra_pi":0.449,"moe2D_BCUT_PEOE_0":-2.693,"moe2D_BCUT_PEOE_1":-0.2156,"moe2D_BCUT_PEOE_2":0.2848,"moe2D_BCUT_PEOE_3":2.629,"moe2D_BCUT_SLOGP_0":-2.553,"moe2D_BCUT_SLOGP_1":-0.1292,"moe2D_BCUT_SLOGP_2":0.2762,"moe2D_BCUT_SLOGP_3":2.788,"moe2D_BCUT_SMR_0":-2.443,"moe2D_BCUT_SMR_1":-0.1218,"moe2D_BCUT_SMR_2":0.3499,"moe2D_BCUT_SMR_3":2.879,"moe2D_GCUT_PEOE_0":-0.8038,"moe2D_GCUT_PEOE_1":-0.2263,"moe2D_GCUT_PEOE_2":-0.02323,"moe2D_GCUT_PEOE_3":2.354,"moe2D_GCUT_SLOGP_0":-0.8737,"moe2D_GCUT_SLOGP_1":-0.1213,"moe2D_GCUT_SLOGP_2":-0.02476,"moe2D_GCUT_SLOGP_3":2.487,"moe2D_GCUT_SMR_0":-0.5319,"moe2D_GCUT_SMR_1":-0.1201,"moe2D_GCUT_SMR_2":0.04293,"moe2D_GCUT_SMR_3":2.565,"moe2D_Kier1":9,"moe2D_Kier2":8,"moe2D_Kier3":8,"moe2D_KierA1":9,"moe2D_KierA2":8,"moe2D_KierA3":8,"moe2D_KierFlex":8,"moe2D_PEOE_PC.":0.7563,"moe2D_PEOE_PC..1":-0.7563,"moe2D_PEOE_RPC.":0.2769,"moe2D_PEOE_RPC..1":0.5223,"moe2D_PEOE_VSA.0":78.93,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":62.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8975,"moe2D_PEOE_VSA_FNEG":0.446,"moe2D_PEOE_VSA_FPNEG":0.04401,"moe2D_PEOE_VSA_FPOL":0.1025,"moe2D_PEOE_VSA_FPOS":0.554,"moe2D_PEOE_VSA_FPPOS":0.05849,"moe2D_PEOE_VSA_HYD":158.4,"moe2D_PEOE_VSA_NEG":78.72,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":97.79,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8128,"moe2D_Q_VSA_FNEG":0.04401,"moe2D_Q_VSA_FPNEG":0.04401,"moe2D_Q_VSA_FPOL":0.1872,"moe2D_Q_VSA_FPOS":0.956,"moe2D_Q_VSA_FPPOS":0.1432,"moe2D_Q_VSA_HYD":143.5,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":168.7,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":4.046,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":113.2,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":2.339,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":113.2,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.794,"moe2D_VDistMa":5.917,"moe2D_Weight":130.2,"moe2D_a_IC":29.32,"moe2D_a_ICM":1.086,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":27,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":18,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":26.88,"moe2D_b_1rotN":6,"moe2D_b_1rotR":0.75,"moe2D_b_ar":0,"moe2D_b_count":26,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":6,"moe2D_b_rotR":0.75,"moe2D_b_single":26,"moe2D_b_triple":0,"moe2D_balabanJ":2.595,"moe2D_bpol":19.68,"moe2D_chi0":6.95,"moe2D_chi0_C":5.95,"moe2D_chi0v":6.397,"moe2D_chi0v_C":5.95,"moe2D_chi1":4.414,"moe2D_chi1_C":3.707,"moe2D_chi1v":4.023,"moe2D_chi1v_C":3.707,"moeGao_chi2_C":2.268,"moeGao_chi2v_C":2.268,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.707,"moeGao_chi3p_C":1.354,"moeGao_chi3pv":1.512,"moeGao_chi3pv_C":1.354,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.03,"moeGao_chi4ca_C":0.7803,"moeGao_chi4cav":0.8921,"moeGao_chi4cav_C":0.7803,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5978,"moe2D_diameter":8,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.214,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.423,"moe2D_kS_ssCH2":7.863,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.761,"moe2D_logS":-2.493,"moe2D_mr":4.114,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":6,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":176.5,"moe2D_vdw_vol":217.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":146.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":120,"moe2D_weinerPol":6,"moe2D_zagreb":30}
{"Molecule":"1-octyn-3-ol","moeGao_Abra_L":4.282,"moeGao_Abra_R":0.374,"moeGao_Abra_acidity":0.457,"moeGao_Abra_basicity":0.452,"moeGao_Abra_pi":0.553,"moe2D_BCUT_PEOE_0":-2.648,"moe2D_BCUT_PEOE_1":-0.4221,"moe2D_BCUT_PEOE_2":0.4879,"moe2D_BCUT_PEOE_3":2.602,"moe2D_BCUT_SLOGP_0":-2.542,"moe2D_BCUT_SLOGP_1":-0.4059,"moe2D_BCUT_SLOGP_2":0.4099,"moe2D_BCUT_SLOGP_3":2.739,"moe2D_BCUT_SMR_0":-2.405,"moe2D_BCUT_SMR_1":-0.3059,"moe2D_BCUT_SMR_2":0.6292,"moe2D_BCUT_SMR_3":2.844,"moe2D_GCUT_PEOE_0":-0.7975,"moe2D_GCUT_PEOE_1":-0.3029,"moe2D_GCUT_PEOE_2":0.04889,"moe2D_GCUT_PEOE_3":2.243,"moe2D_GCUT_SLOGP_0":-0.8792,"moe2D_GCUT_SLOGP_1":-0.2435,"moe2D_GCUT_SLOGP_2":-0.01701,"moe2D_GCUT_SLOGP_3":2.35,"moe2D_GCUT_SMR_0":-0.5311,"moe2D_GCUT_SMR_1":-0.1734,"moe2D_GCUT_SMR_2":0.1552,"moe2D_GCUT_SMR_3":2.46,"moe2D_Kier1":9,"moe2D_Kier2":6.125,"moe2D_Kier3":5.878,"moe2D_KierA1":7.644,"moe2D_KierA2":5.083,"moe2D_KierA3":4.77,"moe2D_KierFlex":4.318,"moe2D_PEOE_PC.":0.81,"moe2D_PEOE_PC..1":-0.81,"moe2D_PEOE_RPC.":0.2606,"moe2D_PEOE_RPC..1":0.4683,"moe2D_PEOE_VSA.0":46.92,"moe2D_PEOE_VSA.1":4.265,"moe2D_PEOE_VSA.2":9.17,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":51.96,"moe2D_PEOE_VSA.2.1":25.85,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8958,"moe2D_PEOE_VSA_FNEG":0.593,"moe2D_PEOE_VSA_FPNEG":0.04473,"moe2D_PEOE_VSA_FPOL":0.1042,"moe2D_PEOE_VSA_FPOS":0.407,"moe2D_PEOE_VSA_FPPOS":0.05945,"moe2D_PEOE_VSA_HYD":155.6,"moe2D_PEOE_VSA_NEG":103,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":70.68,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.057,"moe2D_Q_PC..1":-1.057,"moe2D_Q_RPC.":0.4541,"moe2D_Q_RPC..1":0.6433,"moe2D_Q_VSA_FHYD":0.8676,"moe2D_Q_VSA_FNEG":0.2846,"moe2D_Q_VSA_FPNEG":0.04473,"moe2D_Q_VSA_FPOL":0.1324,"moe2D_Q_VSA_FPOS":0.7154,"moe2D_Q_VSA_FPPOS":0.08769,"moe2D_Q_VSA_HYD":150.7,"moe2D_Q_VSA_NEG":49.43,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":23,"moe2D_Q_VSA_POS":124.2,"moe2D_Q_VSA_PPOS":15.23,"moe2D_SMR":3.898,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":23.5,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":31.49,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.561,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":6.469,"moe2D_SlogP_VSA3":17.03,"moe2D_SlogP_VSA4":31.49,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.614,"moe2D_VDistMa":5.946,"moe2D_Weight":126.2,"moe2D_a_IC":26.74,"moe2D_a_ICM":1.163,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":23,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":24.22,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":22,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":5,"moe2D_b_rotR":0.625,"moe2D_b_single":21,"moe2D_b_triple":1,"moe2D_balabanJ":2.889,"moe2D_bpol":15.3,"moe2D_chi0":7.113,"moe2D_chi0_C":6.113,"moe2D_chi0v":5.93,"moe2D_chi0v_C":5.483,"moe2D_chi1":4.308,"moe2D_chi1_C":3.731,"moe2D_chi1v":3.451,"moe2D_chi1v_C":3.193,"moeGao_chi2_C":2.193,"moeGao_chi2v_C":1.867,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.09129,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.997,"moeGao_chi3p_C":1.3,"moeGao_chi3pv":1.274,"moeGao_chi3pv_C":1.07,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.9469,"moeGao_chi4ca_C":0.7428,"moeGao_chi4cav":0.671,"moeGao_chi4cav_C":0.5797,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1173,"moeGao_chi4pcv_C":0,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.6125,"moe2D_diameter":7,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.127,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.848,"moe2D_kS_ssCH2":4.141,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-0.5171,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":4.954,"moe2D_kS_tNH":0,"moe2D_kS_tsC":2.279,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.304,"moe2D_logS":-2.381,"moe2D_mr":3.958,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":173.7,"moe2D_vdw_vol":206,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":146.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":110,"moe2D_weinerPol":7,"moe2D_zagreb":32}
{"Molecule":"1-propanol","moeGao_Abra_L":2.121,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.385,"moeGao_Abra_pi":0.449,"moe2D_BCUT_PEOE_0":-2.491,"moe2D_BCUT_PEOE_1":-0.2209,"moe2D_BCUT_PEOE_2":0.2904,"moe2D_BCUT_PEOE_3":2.448,"moe2D_BCUT_SLOGP_0":-2.454,"moe2D_BCUT_SLOGP_1":-0.1722,"moe2D_BCUT_SLOGP_2":0.2763,"moe2D_BCUT_SLOGP_3":2.527,"moe2D_BCUT_SMR_0":-2.258,"moe2D_BCUT_SMR_1":-0.1263,"moe2D_BCUT_SMR_2":0.3536,"moe2D_BCUT_SMR_3":2.677,"moe2D_GCUT_PEOE_0":-0.8028,"moe2D_GCUT_PEOE_1":-0.231,"moe2D_GCUT_PEOE_2":-0.00591,"moe2D_GCUT_PEOE_3":1.809,"moe2D_GCUT_SLOGP_0":-0.8736,"moe2D_GCUT_SLOGP_1":-0.1492,"moe2D_GCUT_SLOGP_2":-0.02476,"moe2D_GCUT_SLOGP_3":1.875,"moe2D_GCUT_SMR_0":-0.526,"moe2D_GCUT_SMR_1":-0.1267,"moe2D_GCUT_SMR_2":0.04627,"moe2D_GCUT_SMR_3":2.007,"moe2D_Kier1":4,"moe2D_Kier2":3,"moe2D_Kier3":4,"moe2D_KierA1":4,"moe2D_KierA2":3,"moe2D_KierA3":4,"moe2D_KierFlex":3,"moe2D_PEOE_PC.":0.4908,"moe2D_PEOE_PC..1":-0.4908,"moe2D_PEOE_RPC.":0.4267,"moe2D_PEOE_RPC..1":0.8049,"moe2D_PEOE_VSA.0":36.28,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.7998,"moe2D_PEOE_VSA_FNEG":0.3898,"moe2D_PEOE_VSA_FPNEG":0.08597,"moe2D_PEOE_VSA_FPOL":0.2002,"moe2D_PEOE_VSA_FPOS":0.6102,"moe2D_PEOE_VSA_FPPOS":0.1143,"moe2D_PEOE_VSA_HYD":72.26,"moe2D_PEOE_VSA_NEG":35.22,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":55.13,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.6343,"moe2D_Q_VSA_FNEG":0.08597,"moe2D_Q_VSA_FPNEG":0.08597,"moe2D_Q_VSA_FPOL":0.3657,"moe2D_Q_VSA_FPOS":0.914,"moe2D_Q_VSA_FPPOS":0.2798,"moe2D_Q_VSA_HYD":57.31,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":82.58,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":1.738,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":0.3887,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1.459,"moe2D_VDistMa":3.446,"moe2D_Weight":60.1,"moe2D_a_IC":14.26,"moe2D_a_ICM":1.189,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":12,"moe2D_a_don":1,"moe2D_a_heavy":4,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":11.42,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":11,"moe2D_b_double":0,"moe2D_b_heavy":3,"moe2D_b_rotN":1,"moe2D_b_rotR":0.3333,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":1.975,"moe2D_bpol":8.746,"moe2D_chi0":3.414,"moe2D_chi0_C":2.414,"moe2D_chi0v":2.861,"moe2D_chi0v_C":2.414,"moe2D_chi1":1.914,"moe2D_chi1_C":1.207,"moe2D_chi1v":1.523,"moe2D_chi1v_C":1.207,"moeGao_chi2_C":0.5,"moeGao_chi2v_C":0.5,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.2236,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6279,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.931,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":7.875,"moe2D_kS_ssCH2":1.194,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.551,"moe2D_logS":0.08302,"moe2D_mr":1.798,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":90.35,"moe2D_vdw_vol":95.71,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":67.28,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":10,"moe2D_weinerPol":1,"moe2D_zagreb":10}
{"Molecule":"1-undecanol","moeGao_Abra_L":6.113,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.385,"moeGao_Abra_pi":0.449,"moe2D_BCUT_PEOE_0":-2.723,"moe2D_BCUT_PEOE_1":-0.2155,"moe2D_BCUT_PEOE_2":0.2843,"moe2D_BCUT_PEOE_3":2.655,"moe2D_BCUT_SLOGP_0":-2.568,"moe2D_BCUT_SLOGP_1":-0.1248,"moe2D_BCUT_SLOGP_2":0.2762,"moe2D_BCUT_SLOGP_3":2.823,"moe2D_BCUT_SMR_0":-2.471,"moe2D_BCUT_SMR_1":-0.1217,"moe2D_BCUT_SMR_2":0.3499,"moe2D_BCUT_SMR_3":2.908,"moe2D_GCUT_PEOE_0":-0.8047,"moe2D_GCUT_PEOE_1":-0.2257,"moe2D_GCUT_PEOE_2":-0.02488,"moe2D_GCUT_PEOE_3":2.508,"moe2D_GCUT_SLOGP_0":-0.8737,"moe2D_GCUT_SLOGP_1":-0.118,"moe2D_GCUT_SLOGP_2":-0.02476,"moe2D_GCUT_SLOGP_3":2.651,"moe2D_GCUT_SMR_0":-0.5343,"moe2D_GCUT_SMR_1":-0.118,"moe2D_GCUT_SMR_2":0.04275,"moe2D_GCUT_SMR_3":2.721,"moe2D_Kier1":12,"moe2D_Kier2":11,"moe2D_Kier3":11.11,"moe2D_KierA1":12,"moe2D_KierA2":11,"moe2D_KierA3":11.11,"moe2D_KierFlex":11,"moe2D_PEOE_PC.":0.9154,"moe2D_PEOE_PC..1":-0.9154,"moe2D_PEOE_RPC.":0.2287,"moe2D_PEOE_RPC..1":0.4315,"moe2D_PEOE_VSA.0":104.5,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":88.36,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9207,"moe2D_PEOE_VSA_FNEG":0.4594,"moe2D_PEOE_VSA_FPNEG":0.03404,"moe2D_PEOE_VSA_FPOL":0.07928,"moe2D_PEOE_VSA_FPOS":0.5406,"moe2D_PEOE_VSA_FPPOS":0.04524,"moe2D_PEOE_VSA_HYD":210.1,"moe2D_PEOE_VSA_NEG":104.8,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":123.4,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8552,"moe2D_Q_VSA_FNEG":0.03404,"moe2D_Q_VSA_FPNEG":0.03404,"moe2D_Q_VSA_FPOL":0.1448,"moe2D_Q_VSA_FPOS":0.966,"moe2D_Q_VSA_FPPOS":0.1108,"moe2D_Q_VSA_HYD":195.2,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":220.4,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":5.431,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":169.8,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":3.51,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":169.8,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.6167,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":3.236,"moe2D_VDistMa":6.763,"moe2D_Weight":172.3,"moe2D_a_IC":38.02,"moe2D_a_ICM":1.056,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":36,"moe2D_a_don":1,"moe2D_a_heavy":12,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":11,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":24,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":36.17,"moe2D_b_1rotN":9,"moe2D_b_1rotR":0.8182,"moe2D_b_ar":0,"moe2D_b_count":35,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":9,"moe2D_b_rotR":0.8182,"moe2D_b_single":35,"moe2D_b_triple":0,"moe2D_balabanJ":2.727,"moe2D_bpol":26.24,"moe2D_chi0":9.071,"moe2D_chi0_C":8.071,"moe2D_chi0v":8.518,"moe2D_chi0v_C":8.071,"moe2D_chi1":5.914,"moe2D_chi1_C":5.207,"moe2D_chi1v":5.523,"moe2D_chi1v_C":5.207,"moeGao_chi2_C":3.328,"moeGao_chi2v_C":3.328,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.457,"moeGao_chi3p_C":2.104,"moeGao_chi3pv":2.262,"moeGao_chi3pv_C":2.104,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.561,"moeGao_chi4ca_C":1.311,"moeGao_chi4cav":1.422,"moeGao_chi4cav_C":1.311,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5919,"moe2D_diameter":11,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.251,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.539,"moe2D_kS_ssCH2":12.21,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.087,"moe2D_logS":-4.039,"moe2D_mr":5.498,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":9,"moe2D_opr_violation":0,"moe2D_petitjean":0.4545,"moe2D_petitjeanSC":0.8333,"moe2D_radius":6,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":228.2,"moe2D_vdw_vol":291.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":193.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":286,"moe2D_weinerPol":9,"moe2D_zagreb":42}
{"Molecule":"2'3'4'-trichloroacetophenone","moeGao_Abra_L":6.823,"moeGao_Abra_R":1.208,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.461,"moeGao_Abra_pi":1.299,"moe2D_BCUT_PEOE_0":-2.208,"moe2D_BCUT_PEOE_1":-0.6395,"moe2D_BCUT_PEOE_2":0.6178,"moe2D_BCUT_PEOE_3":2.281,"moe2D_BCUT_SLOGP_0":-2.18,"moe2D_BCUT_SLOGP_1":-0.28,"moe2D_BCUT_SLOGP_2":0.8951,"moe2D_BCUT_SLOGP_3":2.4,"moe2D_BCUT_SMR_0":-1.942,"moe2D_BCUT_SMR_1":-0.2754,"moe2D_BCUT_SMR_2":1.011,"moe2D_BCUT_SMR_3":2.577,"moe2D_GCUT_PEOE_0":-0.7071,"moe2D_GCUT_PEOE_1":-0.4013,"moe2D_GCUT_PEOE_2":0.02425,"moe2D_GCUT_PEOE_3":2.042,"moe2D_GCUT_SLOGP_0":-0.7777,"moe2D_GCUT_SLOGP_1":-0.1326,"moe2D_GCUT_SLOGP_2":0.3152,"moe2D_GCUT_SLOGP_3":2.23,"moe2D_GCUT_SMR_0":-0.4678,"moe2D_GCUT_SMR_1":-0.1086,"moe2D_GCUT_SMR_2":0.3965,"moe2D_GCUT_SMR_3":2.365,"moe2D_Kier1":10.08,"moe2D_Kier2":3.806,"moe2D_Kier3":2.041,"moe2D_KierA1":10.87,"moe2D_KierA2":4.134,"moe2D_KierA3":2.229,"moe2D_KierFlex":3.745,"moe2D_PEOE_PC.":0.627,"moe2D_PEOE_PC..1":-0.627,"moe2D_PEOE_RPC.":0.2576,"moe2D_PEOE_RPC..1":0.4662,"moe2D_PEOE_VSA.0":15,"moe2D_PEOE_VSA.1":22.09,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":8.459,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":43.26,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.929,"moe2D_PEOE_VSA_FNEG":0.7617,"moe2D_PEOE_VSA_FPNEG":0.07099,"moe2D_PEOE_VSA_FPOL":0.07099,"moe2D_PEOE_VSA_FPOS":0.2383,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":177.6,"moe2D_PEOE_VSA_NEG":145.6,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":45.55,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.401,"moe2D_Q_PC..1":-1.401,"moe2D_Q_RPC.":0.3018,"moe2D_Q_RPC..1":0.4069,"moe2D_Q_VSA_FHYD":0.8848,"moe2D_Q_VSA_FNEG":0.6636,"moe2D_Q_VSA_FPNEG":0.07099,"moe2D_Q_VSA_FPOL":0.1152,"moe2D_Q_VSA_FPOS":0.3364,"moe2D_Q_VSA_FPPOS":0.04426,"moe2D_Q_VSA_HYD":169.1,"moe2D_Q_VSA_NEG":126.8,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":64.3,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":5.148,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":13.69,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":150.8,"moe2D_SlogP":3.849,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":10.5,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":150.8,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.344,"moe2D_VDistMa":6.885,"moe2D_Weight":223.5,"moe2D_a_IC":29.12,"moe2D_a_ICM":1.713,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":17,"moe2D_a_don":0,"moe2D_a_heavy":12,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":24.76,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.08333,"moe2D_b_ar":6,"moe2D_b_count":17,"moe2D_b_double":1,"moe2D_b_heavy":12,"moe2D_b_rotN":1,"moe2D_b_rotR":0.08333,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.627,"moe2D_bpol":7.684,"moe2D_chi0":9.301,"moe2D_chi0_C":5.301,"moe2D_chi0v":8.465,"moe2D_chi0v_C":4.655,"moe2D_chi1":5.537,"moe2D_chi1_C":3.227,"moe2D_chi1v":4.316,"moe2D_chi1v_C":2.411,"moeGao_chi2_C":2.195,"moeGao_chi2v_C":1.391,"moeGao_chi3c":1.09,"moeGao_chi3c_C":0.1361,"moeGao_chi3cv":0.6214,"moeGao_chi3cv_C":0.07217,"moeGao_chi3p":4.214,"moeGao_chi3p_C":1.589,"moeGao_chi3pv":2.708,"moeGao_chi3pv_C":0.872,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.83,"moeGao_chi4ca_C":0.9802,"moeGao_chi4cav":1.466,"moeGao_chi4cav_C":0.4576,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.732,"moeGao_chi4pc_C":0.3109,"moeGao_chi4pcv":1.591,"moeGao_chi4pcv_C":0.1499,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9855,"moe2D_diameter":6,"moe2D_kS_aaCH":3.103,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.8003,"moe2D_kS_aasC":0.3945,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.94,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.1263,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.422,"moe2D_kS_sCl":17.13,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.529,"moe2D_logS":-3.9,"moe2D_mr":5.146,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":191.1,"moe2D_vdw_vol":226.8,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":165.5,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":185,"moe2D_weinerPol":18,"moe2D_zagreb":58}
{"Molecule":"22'-methylenebis(4-chloro)phenol(dichlorophen)","moeGao_Abra_L":9.869,"moeGao_Abra_R":1.904,"moeGao_Abra_acidity":1.468,"moeGao_Abra_basicity":0.705,"moeGao_Abra_pi":1.841,"moe2D_BCUT_PEOE_0":-2.352,"moe2D_BCUT_PEOE_1":-0.6596,"moe2D_BCUT_PEOE_2":0.6708,"moe2D_BCUT_PEOE_3":2.343,"moe2D_BCUT_SLOGP_0":-2.233,"moe2D_BCUT_SLOGP_1":-0.441,"moe2D_BCUT_SLOGP_2":0.866,"moe2D_BCUT_SLOGP_3":2.5,"moe2D_BCUT_SMR_0":-2.06,"moe2D_BCUT_SMR_1":-0.3924,"moe2D_BCUT_SMR_2":0.9355,"moe2D_BCUT_SMR_3":2.642,"moe2D_GCUT_PEOE_0":-0.7662,"moe2D_GCUT_PEOE_1":-0.4103,"moe2D_GCUT_PEOE_2":0.08217,"moe2D_GCUT_PEOE_3":2.323,"moe2D_GCUT_SLOGP_0":-0.7624,"moe2D_GCUT_SLOGP_1":-0.2457,"moe2D_GCUT_SLOGP_2":0.2506,"moe2D_GCUT_SLOGP_3":2.513,"moe2D_GCUT_SMR_0":-0.4661,"moe2D_GCUT_SMR_1":-0.1747,"moe2D_GCUT_SMR_2":0.3444,"moe2D_GCUT_SMR_3":2.625,"moe2D_Kier1":13.43,"moe2D_Kier2":5.76,"moe2D_Kier3":3.484,"moe2D_KierA1":11.89,"moe2D_KierA2":5.059,"moe2D_KierA3":3.041,"moe2D_KierFlex":3.54,"moe2D_PEOE_PC.":1.127,"moe2D_PEOE_PC..1":-1.127,"moe2D_PEOE_RPC.":0.1928,"moe2D_PEOE_RPC..1":0.3189,"moe2D_PEOE_VSA.0":26.27,"moe2D_PEOE_VSA.1":42.51,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":20.65,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":77.95,"moe2D_PEOE_VSA.1.1":59.16,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":15.54,"moe2D_PEOE_VSA_FHYD":0.8505,"moe2D_PEOE_VSA_FNEG":0.6306,"moe2D_PEOE_VSA_FPNEG":0.06417,"moe2D_PEOE_VSA_FPOL":0.1495,"moe2D_PEOE_VSA_FPOS":0.3694,"moe2D_PEOE_VSA_FPPOS":0.0853,"moe2D_PEOE_VSA_HYD":205.9,"moe2D_PEOE_VSA_NEG":152.6,"moe2D_PEOE_VSA_PNEG":15.54,"moe2D_PEOE_VSA_POL":36.18,"moe2D_PEOE_VSA_POS":89.43,"moe2D_PEOE_VSA_PPOS":20.65,"moe2D_Q_PC.":2.606,"moe2D_Q_PC..1":-2.606,"moe2D_Q_RPC.":0.1727,"moe2D_Q_RPC..1":0.2043,"moe2D_Q_VSA_FHYD":0.8146,"moe2D_Q_VSA_FNEG":0.6306,"moe2D_Q_VSA_FPNEG":0.06417,"moe2D_Q_VSA_FPOL":0.1854,"moe2D_Q_VSA_FPOS":0.3694,"moe2D_Q_VSA_FPPOS":0.1212,"moe2D_Q_VSA_HYD":197.2,"moe2D_Q_VSA_NEG":152.6,"moe2D_Q_VSA_PNEG":15.54,"moe2D_Q_VSA_POL":44.88,"moe2D_Q_VSA_POS":89.43,"moe2D_Q_VSA_PPOS":29.35,"moe2D_SMR":6.904,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":50.77,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":23.86,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":124.7,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":3.995,"moe2D_SlogP_VSA0":50.77,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":18.87,"moe2D_SlogP_VSA6":7.001,"moe2D_SlogP_VSA7":105.9,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":88.78,"moe2D_TPSA":40.46,"moe2D_VAdjEq":0.5423,"moe2D_VAdjMa":5.17,"moe2D_VDistEq":2.883,"moe2D_VDistMa":7.883,"moe2D_Weight":269.1,"moe2D_a_IC":43.06,"moe2D_a_ICM":1.595,"moe2D_a_acc":2,"moe2D_a_aro":12,"moe2D_a_count":27,"moe2D_a_don":2,"moe2D_a_heavy":17,"moe2D_a_hyd":15,"moe2D_a_nBr":0,"moe2D_a_nC":13,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":35.51,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":12,"moe2D_b_count":28,"moe2D_b_double":0,"moe2D_b_heavy":18,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1111,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":1.907,"moe2D_bpol":11.77,"moe2D_chi0":12.41,"moe2D_chi0_C":8.414,"moe2D_chi0v":10.33,"moe2D_chi0v_C":7.171,"moe2D_chi1":8.059,"moe2D_chi1_C":5.749,"moe2D_chi1v":5.764,"moe2D_chi1v_C":4.183,"moeGao_chi2_C":4.431,"moeGao_chi2v_C":2.805,"moeGao_chi3c":1.382,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.7112,"moeGao_chi3cv_C":0.2041,"moeGao_chi3p":5.855,"moeGao_chi3p_C":3.286,"moeGao_chi3pv":2.934,"moeGao_chi3pv_C":1.793,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":4.346,"moeGao_chi4ca_C":2.53,"moeGao_chi4cav":1.986,"moeGao_chi4cav_C":1.184,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.696,"moeGao_chi4pc_C":0.6206,"moeGao_chi4pcv":1.061,"moeGao_chi4pcv_C":0.322,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8484,"moe2D_diameter":8,"moe2D_kS_aaCH":9.601,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.082,"moe2D_kS_aasC":1.59,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":11.71,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":19.37,"moe2D_kS_ssCH2":0.3738,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.592,"moe2D_logS":-3.932,"moe2D_mr":6.945,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":242.1,"moe2D_vdw_vol":317.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":200.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":520,"moe2D_weinerPol":24,"moe2D_zagreb":86}
{"Molecule":"222-trichloroethanol","moeGao_Abra_L":3.64,"moeGao_Abra_R":0.548,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.401,"moeGao_Abra_pi":0.791,"moe2D_BCUT_PEOE_0":-2.293,"moe2D_BCUT_PEOE_1":-0.2995,"moe2D_BCUT_PEOE_2":0.3005,"moe2D_BCUT_PEOE_3":2.399,"moe2D_BCUT_SLOGP_0":-2.32,"moe2D_BCUT_SLOGP_1":-0.1779,"moe2D_BCUT_SLOGP_2":0.6895,"moe2D_BCUT_SLOGP_3":2.523,"moe2D_BCUT_SMR_0":-2.066,"moe2D_BCUT_SMR_1":-0.1258,"moe2D_BCUT_SMR_2":0.6851,"moe2D_BCUT_SMR_3":2.636,"moe2D_GCUT_PEOE_0":-0.7782,"moe2D_GCUT_PEOE_1":-0.3013,"moe2D_GCUT_PEOE_2":0.00783,"moe2D_GCUT_PEOE_3":1.634,"moe2D_GCUT_SLOGP_0":-0.8712,"moe2D_GCUT_SLOGP_1":-0.1121,"moe2D_GCUT_SLOGP_2":0.5295,"moe2D_GCUT_SLOGP_3":1.834,"moe2D_GCUT_SMR_0":-0.4979,"moe2D_GCUT_SMR_1":-0.1111,"moe2D_GCUT_SMR_2":0.4253,"moe2D_GCUT_SMR_3":1.911,"moe2D_Kier1":6,"moe2D_Kier2":1.633,"moe2D_Kier3":5.333,"moe2D_KierA1":11.95,"moe2D_KierA2":3.744,"moe2D_KierA3":13.98,"moe2D_KierFlex":7.457,"moe2D_PEOE_PC.":0.6335,"moe2D_PEOE_PC..1":-0.6335,"moe2D_PEOE_RPC.":0.3366,"moe2D_PEOE_RPC..1":0.6169,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8612,"moe2D_PEOE_VSA_FNEG":0.7406,"moe2D_PEOE_VSA_FPNEG":0.0596,"moe2D_PEOE_VSA_FPOL":0.1388,"moe2D_PEOE_VSA_FPOS":0.2594,"moe2D_PEOE_VSA_FPPOS":0.07922,"moe2D_PEOE_VSA_HYD":112.2,"moe2D_PEOE_VSA_NEG":96.51,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":33.81,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.55,"moe2D_Q_PC..1":-1.55,"moe2D_Q_RPC.":0.5613,"moe2D_Q_RPC..1":0.4387,"moe2D_Q_VSA_FHYD":0.06546,"moe2D_Q_VSA_FNEG":0.7406,"moe2D_Q_VSA_FPNEG":0.7406,"moe2D_Q_VSA_FPOL":0.9345,"moe2D_Q_VSA_FPOS":0.2594,"moe2D_Q_VSA_FPPOS":0.1939,"moe2D_Q_VSA_HYD":8.531,"moe2D_Q_VSA_NEG":96.51,"moe2D_Q_VSA_PNEG":96.51,"moe2D_Q_VSA_POL":121.8,"moe2D_Q_VSA_POS":33.81,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":2.734,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":1.769,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":117.4,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.506,"moe2D_VDistMa":4.798,"moe2D_Weight":149.4,"moe2D_a_IC":17.02,"moe2D_a_ICM":1.891,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":9,"moe2D_a_don":1,"moe2D_a_heavy":6,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":12.86,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":8,"moe2D_b_double":0,"moe2D_b_heavy":5,"moe2D_b_rotN":1,"moe2D_b_rotR":0.2,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":3.168,"moe2D_bpol":4.54,"moe2D_chi0":5.207,"moe2D_chi0_C":1.207,"moe2D_chi0v":5.056,"moe2D_chi0v_C":1.207,"moe2D_chi1":2.561,"moe2D_chi1_C":0.3536,"moe2D_chi1v":2.371,"moe2D_chi1v_C":0.3536,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":1.561,"moeGao_chi3c_C":0,"moeGao_chi3cv":2.093,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.061,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.5379,"moeGao_chi3pv_C":0,"moeGao_chi4c":0.3536,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.5154,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.061,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.6099,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.254,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":15,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.007,"moe2D_kS_ssCH2":-0.4329,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-1.486,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.104,"moe2D_logS":-1.796,"moe2D_mr":2.659,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":130.3,"moe2D_vdw_vol":119.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":110.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":28,"moe2D_weinerPol":3,"moe2D_zagreb":24}
{"Molecule":"22-dimethyl","moeGao_Abra_L":2.816,"moeGao_Abra_R":0.208,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.61,"moeGao_Abra_pi":0.298,"moe2D_BCUT_PEOE_0":-2.702,"moe2D_BCUT_PEOE_1":0.02353,"moe2D_BCUT_PEOE_2":0.0427,"moe2D_BCUT_PEOE_3":2.633,"moe2D_BCUT_SLOGP_0":-2.746,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.704,"moe2D_BCUT_SMR_0":-2.444,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.889,"moe2D_GCUT_PEOE_0":-0.8395,"moe2D_GCUT_PEOE_1":-0.1365,"moe2D_GCUT_PEOE_2":-0.1173,"moe2D_GCUT_PEOE_3":2.222,"moe2D_GCUT_SLOGP_0":-1.364,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.285,"moe2D_GCUT_SMR_0":-0.5306,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.441,"moe2D_Kier1":6,"moe2D_Kier2":1.633,"moe2D_Kier3":5.333,"moe2D_KierA1":6,"moe2D_KierA2":1.633,"moe2D_KierA3":5.333,"moe2D_KierFlex":1.633,"moe2D_PEOE_PC.":0.5336,"moe2D_PEOE_PC..1":-0.5336,"moe2D_PEOE_RPC.":0.2216,"moe2D_PEOE_RPC..1":0.6174,"moe2D_PEOE_VSA.0":46.92,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":13.19,"moe2D_PEOE_VSA.1.1":56.24,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9526,"moe2D_PEOE_VSA_FNEG":0.5425,"moe2D_PEOE_VSA_FPNEG":0.04743,"moe2D_PEOE_VSA_FPOL":0.04743,"moe2D_PEOE_VSA_FPOS":0.4575,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":133.6,"moe2D_PEOE_VSA_NEG":76.09,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":64.16,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7356,"moe2D_Q_VSA_FNEG":0.04743,"moe2D_Q_VSA_FPNEG":0.04743,"moe2D_Q_VSA_FPOL":0.2644,"moe2D_Q_VSA_FPOS":0.9526,"moe2D_Q_VSA_FPPOS":0.217,"moe2D_Q_VSA_HYD":103.2,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":133.6,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":2.851,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":0.9912,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.506,"moe2D_VDistMa":4.798,"moe2D_Weight":87.17,"moe2D_a_IC":21,"moe2D_a_ICM":1.105,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":6,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":13,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":18.57,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":18,"moe2D_b_double":0,"moe2D_b_heavy":5,"moe2D_b_rotN":1,"moe2D_b_rotR":0.2,"moe2D_b_single":18,"moe2D_b_triple":0,"moe2D_balabanJ":3.168,"moe2D_bpol":13.55,"moe2D_chi0":5.207,"moe2D_chi0_C":4.207,"moe2D_chi0v":4.784,"moe2D_chi0v_C":4.207,"moe2D_chi1":2.561,"moe2D_chi1_C":1.854,"moe2D_chi1v":2.262,"moe2D_chi1v_C":1.854,"moeGao_chi2_C":2.561,"moeGao_chi2v_C":2.561,"moeGao_chi3c":1.561,"moeGao_chi3c_C":1.561,"moeGao_chi3cv":1.561,"moeGao_chi3cv_C":1.561,"moeGao_chi3p":1.061,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.6124,"moeGao_chi3pv_C":0,"moeGao_chi4c":0.3536,"moeGao_chi4c_C":0.3536,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.3536,"moeGao_chi4cv_C":0.3536,"moeGao_chi4pc":1.061,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.6124,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5784,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.354,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.306,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.7708,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0.3194,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.086,"moe2D_logS":-0.2144,"moe2D_mr":2.759,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":140.2,"moe2D_vdw_vol":150.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":108.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":28,"moe2D_weinerPol":3,"moe2D_zagreb":24}
{"Molecule":"2345-tetrachlorophenate","moeGao_Abra_L":6.265,"moeGao_Abra_R":1.269,"moeGao_Abra_acidity":0.758,"moeGao_Abra_basicity":0.232,"moeGao_Abra_pi":1.001,"moe2D_BCUT_PEOE_0":-2.106,"moe2D_BCUT_PEOE_1":-0.688,"moe2D_BCUT_PEOE_2":0.6625,"moe2D_BCUT_PEOE_3":2.16,"moe2D_BCUT_SLOGP_0":-1.884,"moe2D_BCUT_SLOGP_1":-0.255,"moe2D_BCUT_SLOGP_2":1.168,"moe2D_BCUT_SLOGP_3":2.442,"moe2D_BCUT_SMR_0":-1.782,"moe2D_BCUT_SMR_1":-0.2564,"moe2D_BCUT_SMR_2":1.123,"moe2D_BCUT_SMR_3":2.495,"moe2D_GCUT_PEOE_0":-0.7537,"moe2D_GCUT_PEOE_1":-0.4136,"moe2D_GCUT_PEOE_2":0.02158,"moe2D_GCUT_PEOE_3":1.892,"moe2D_GCUT_SLOGP_0":-0.7616,"moe2D_GCUT_SLOGP_1":-0.09609,"moe2D_GCUT_SLOGP_2":0.621,"moe2D_GCUT_SLOGP_3":2.195,"moe2D_GCUT_SMR_0":-0.4272,"moe2D_GCUT_SMR_1":-0.0541,"moe2D_GCUT_SMR_2":0.5718,"moe2D_GCUT_SMR_3":2.238,"moe2D_Kier1":9.091,"moe2D_Kier2":3.164,"moe2D_Kier3":1.6,"moe2D_KierA1":12.14,"moe2D_KierA2":4.352,"moe2D_KierA3":2.258,"moe2D_KierFlex":4.802,"moe2D_PEOE_PC.":0.691,"moe2D_PEOE_PC..1":-0.691,"moe2D_PEOE_RPC.":0.3146,"moe2D_PEOE_RPC..1":0.5185,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":30.8,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":12.25,"moe2D_PEOE_VSA.1.1":118.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8992,"moe2D_PEOE_VSA_FNEG":0.7709,"moe2D_PEOE_VSA_FPNEG":0.04328,"moe2D_PEOE_VSA_FPOL":0.1008,"moe2D_PEOE_VSA_FPOS":0.2291,"moe2D_PEOE_VSA_FPPOS":0.05752,"moe2D_PEOE_VSA_HYD":161.4,"moe2D_PEOE_VSA_NEG":138.4,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":41.13,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.391,"moe2D_Q_PC..1":-1.39,"moe2D_Q_RPC.":0.3236,"moe2D_Q_RPC..1":0.383,"moe2D_Q_VSA_FHYD":0.8992,"moe2D_Q_VSA_FNEG":0.7709,"moe2D_Q_VSA_FPNEG":0.04328,"moe2D_Q_VSA_FPOL":0.1008,"moe2D_Q_VSA_FPOS":0.2291,"moe2D_Q_VSA_FPPOS":0.05752,"moe2D_Q_VSA_HYD":161.4,"moe2D_Q_VSA_NEG":138.4,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":41.13,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":4.815,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":19.25,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":17.64,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":156.6,"moe2D_SlogP":4.006,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":14,"moe2D_SlogP_VSA7":17.64,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":161.8,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.107,"moe2D_VDistMa":6.643,"moe2D_Weight":231.9,"moe2D_a_IC":22.6,"moe2D_a_ICM":1.738,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":4,"moe2D_a_nF":0,"moe2D_a_nH":2,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":21.42,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.675,"moe2D_bpol":3.866,"moe2D_chi0":8.594,"moe2D_chi0_C":3.594,"moe2D_chi0v":8.06,"moe2D_chi0v_C":3.077,"moe2D_chi1":5.037,"moe2D_chi1_C":2.15,"moe2D_chi1v":4.069,"moe2D_chi1v_C":1.577,"moeGao_chi2_C":1.284,"moeGao_chi2v_C":0.808,"moeGao_chi3c":1.049,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.6534,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.197,"moeGao_chi3p_C":0.7666,"moeGao_chi3pv":2.825,"moeGao_chi3pv_C":0.4137,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.531,"moeGao_chi4ca_C":0.457,"moeGao_chi4cav":1.352,"moeGao_chi4cav_C":0.2117,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.801,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.152,"moe2D_diameter":5,"moe2D_kS_aaCH":1.234,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.4112,"moe2D_kS_aasC":-0.1749,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":22.26,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.046,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.995,"moe2D_logS":-3.96,"moe2D_mr":4.665,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":179.5,"moe2D_vdw_vol":201.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":160.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":140,"moe2D_weinerPol":17,"moe2D_zagreb":54}
{"Molecule":"2346-tetrachlorophenol","moeGao_Abra_L":6.265,"moeGao_Abra_R":1.269,"moeGao_Abra_acidity":0.758,"moeGao_Abra_basicity":0.232,"moeGao_Abra_pi":1.001,"moe2D_BCUT_PEOE_0":-2.104,"moe2D_BCUT_PEOE_1":-0.6904,"moe2D_BCUT_PEOE_2":0.6649,"moe2D_BCUT_PEOE_3":2.161,"moe2D_BCUT_SLOGP_0":-1.879,"moe2D_BCUT_SLOGP_1":-0.3008,"moe2D_BCUT_SLOGP_2":1.133,"moe2D_BCUT_SLOGP_3":2.445,"moe2D_BCUT_SMR_0":-1.778,"moe2D_BCUT_SMR_1":-0.2975,"moe2D_BCUT_SMR_2":1.148,"moe2D_BCUT_SMR_3":2.495,"moe2D_GCUT_PEOE_0":-0.7469,"moe2D_GCUT_PEOE_1":-0.4154,"moe2D_GCUT_PEOE_2":0.03463,"moe2D_GCUT_PEOE_3":1.892,"moe2D_GCUT_SLOGP_0":-0.7616,"moe2D_GCUT_SLOGP_1":-0.1093,"moe2D_GCUT_SLOGP_2":0.5297,"moe2D_GCUT_SLOGP_3":2.196,"moe2D_GCUT_SMR_0":-0.4252,"moe2D_GCUT_SMR_1":-0.07766,"moe2D_GCUT_SMR_2":0.5534,"moe2D_GCUT_SMR_3":2.239,"moe2D_Kier1":9.091,"moe2D_Kier2":3.164,"moe2D_Kier3":1.6,"moe2D_KierA1":12.14,"moe2D_KierA2":4.352,"moe2D_KierA3":2.258,"moe2D_KierFlex":4.802,"moe2D_PEOE_PC.":0.7004,"moe2D_PEOE_PC..1":-0.7004,"moe2D_PEOE_RPC.":0.3104,"moe2D_PEOE_RPC..1":0.5097,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":22.34,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":12.25,"moe2D_PEOE_VSA.1.1":118.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8992,"moe2D_PEOE_VSA_FNEG":0.7709,"moe2D_PEOE_VSA_FPNEG":0.04328,"moe2D_PEOE_VSA_FPOL":0.1008,"moe2D_PEOE_VSA_FPOS":0.2291,"moe2D_PEOE_VSA_FPPOS":0.05752,"moe2D_PEOE_VSA_HYD":161.4,"moe2D_PEOE_VSA_NEG":138.4,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":41.13,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.39,"moe2D_Q_PC..1":-1.391,"moe2D_Q_RPC.":0.3236,"moe2D_Q_RPC..1":0.383,"moe2D_Q_VSA_FHYD":0.8992,"moe2D_Q_VSA_FNEG":0.7709,"moe2D_Q_VSA_FPNEG":0.04328,"moe2D_Q_VSA_FPOL":0.1008,"moe2D_Q_VSA_FPOS":0.2291,"moe2D_Q_VSA_FPPOS":0.05752,"moe2D_Q_VSA_HYD":161.4,"moe2D_Q_VSA_NEG":138.4,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":41.13,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":4.815,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":19.25,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":17.64,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":156.6,"moe2D_SlogP":4.006,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":14,"moe2D_SlogP_VSA7":17.64,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":161.8,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.107,"moe2D_VDistMa":6.643,"moe2D_Weight":231.9,"moe2D_a_IC":22.6,"moe2D_a_ICM":1.738,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":4,"moe2D_a_nF":0,"moe2D_a_nH":2,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":21.42,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.675,"moe2D_bpol":3.866,"moe2D_chi0":8.594,"moe2D_chi0_C":3.594,"moe2D_chi0v":8.06,"moe2D_chi0v_C":3.077,"moe2D_chi1":5.037,"moe2D_chi1_C":2.15,"moe2D_chi1v":4.069,"moe2D_chi1v_C":1.577,"moeGao_chi2_C":1.284,"moeGao_chi2v_C":0.808,"moeGao_chi3c":1.049,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.6667,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.197,"moeGao_chi3p_C":0.7666,"moeGao_chi3pv":2.63,"moeGao_chi3pv_C":0.4137,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.531,"moeGao_chi4ca_C":0.457,"moeGao_chi4cav":1.464,"moeGao_chi4cav_C":0.2117,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.613,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.152,"moe2D_diameter":5,"moe2D_kS_aaCH":1.326,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.3919,"moe2D_kS_aasC":-0.2475,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":22.2,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.105,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.995,"moe2D_logS":-3.96,"moe2D_mr":4.665,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":179.5,"moe2D_vdw_vol":201.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":160.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":140,"moe2D_weinerPol":17,"moe2D_zagreb":54}
{"Molecule":"234-trichloroaniline","moeGao_Abra_L":6.225,"moeGao_Abra_R":1.336,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.368,"moeGao_Abra_pi":1.205,"moe2D_BCUT_PEOE_0":-2.188,"moe2D_BCUT_PEOE_1":-0.6414,"moe2D_BCUT_PEOE_2":0.6277,"moe2D_BCUT_PEOE_3":2.162,"moe2D_BCUT_SLOGP_0":-2.317,"moe2D_BCUT_SLOGP_1":-0.2812,"moe2D_BCUT_SLOGP_2":1.062,"moe2D_BCUT_SLOGP_3":2.401,"moe2D_BCUT_SMR_0":-1.833,"moe2D_BCUT_SMR_1":-0.2817,"moe2D_BCUT_SMR_2":1.04,"moe2D_BCUT_SMR_3":2.517,"moe2D_GCUT_PEOE_0":-0.806,"moe2D_GCUT_PEOE_1":-0.3973,"moe2D_GCUT_PEOE_2":0.02729,"moe2D_GCUT_PEOE_3":1.918,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.0945,"moe2D_GCUT_SLOGP_2":0.4678,"moe2D_GCUT_SLOGP_3":2.173,"moe2D_GCUT_SMR_0":-0.4052,"moe2D_GCUT_SMR_1":-0.1076,"moe2D_GCUT_SMR_2":0.4788,"moe2D_GCUT_SMR_3":2.268,"moe2D_Kier1":8.1,"moe2D_Kier2":2.939,"moe2D_Kier3":1.55,"moe2D_KierA1":9.24,"moe2D_KierA2":3.405,"moe2D_KierA3":1.819,"moe2D_KierFlex":3.146,"moe2D_PEOE_PC.":0.6255,"moe2D_PEOE_PC..1":-0.6255,"moe2D_PEOE_RPC.":0.1982,"moe2D_PEOE_RPC..1":0.4813,"moe2D_PEOE_VSA.0":6.7,"moe2D_PEOE_VSA.1":22.09,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9599,"moe2D_PEOE_VSA_FNEG":0.7226,"moe2D_PEOE_VSA_FPNEG":0.04008,"moe2D_PEOE_VSA_FPOL":0.04008,"moe2D_PEOE_VSA_FPOS":0.2774,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":159.3,"moe2D_PEOE_VSA_NEG":119.9,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":46.03,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.731,"moe2D_Q_PC..1":-1.731,"moe2D_Q_RPC.":0.2311,"moe2D_Q_RPC..1":0.5199,"moe2D_Q_VSA_FHYD":0.856,"moe2D_Q_VSA_FNEG":0.7226,"moe2D_Q_VSA_FPNEG":0.04008,"moe2D_Q_VSA_FPOL":0.144,"moe2D_Q_VSA_FPOS":0.2774,"moe2D_Q_VSA_FPPOS":0.1039,"moe2D_Q_VSA_HYD":142,"moe2D_Q_VSA_NEG":119.9,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":46.03,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":4.588,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.5,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":68.18,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":3.229,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":10.5,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":120.2,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.04,"moe2D_VDistMa":6.354,"moe2D_Weight":196.5,"moe2D_a_IC":25.04,"moe2D_a_ICM":1.788,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":20.87,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.573,"moe2D_bpol":4.973,"moe2D_chi0":7.724,"moe2D_chi0_C":3.724,"moe2D_chi0v":7.134,"moe2D_chi0v_C":3.155,"moe2D_chi1":4.626,"moe2D_chi1_C":2.316,"moe2D_chi1v":3.65,"moe2D_chi1v_C":1.661,"moeGao_chi2_C":1.434,"moeGao_chi2v_C":0.872,"moeGao_chi3c":0.8563,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.5305,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.702,"moeGao_chi3p_C":0.8833,"moeGao_chi3pv":2.373,"moeGao_chi3pv_C":0.4568,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.088,"moeGao_chi4ca_C":0.542,"moeGao_chi4cav":1.084,"moeGao_chi4cav_C":0.2388,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.341,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.416,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.026,"moe2D_diameter":5,"moe2D_kS_aaCH":3.21,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.04,"moe2D_kS_aasC":0.4408,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":16.89,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.415,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.004,"moe2D_logS":-3.309,"moe2D_mr":4.392,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":165.9,"moe2D_vdw_vol":191.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":140.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":109,"moe2D_weinerPol":14,"moe2D_zagreb":48}
{"Molecule":"2356-tetrachloroaniline","moeGao_Abra_L":6.942,"moeGao_Abra_R":1.471,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.33,"moeGao_Abra_pi":1.257,"moe2D_BCUT_PEOE_0":-2.172,"moe2D_BCUT_PEOE_1":-0.658,"moe2D_BCUT_PEOE_2":0.6086,"moe2D_BCUT_PEOE_3":2.177,"moe2D_BCUT_SLOGP_0":-2.311,"moe2D_BCUT_SLOGP_1":-0.1663,"moe2D_BCUT_SLOGP_2":1.142,"moe2D_BCUT_SLOGP_3":2.427,"moe2D_BCUT_SMR_0":-1.816,"moe2D_BCUT_SMR_1":-0.1826,"moe2D_BCUT_SMR_2":1.104,"moe2D_BCUT_SMR_3":2.533,"moe2D_GCUT_PEOE_0":-0.8,"moe2D_GCUT_PEOE_1":-0.4059,"moe2D_GCUT_PEOE_2":0.00124,"moe2D_GCUT_PEOE_3":1.929,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.02524,"moe2D_GCUT_SLOGP_2":0.5576,"moe2D_GCUT_SLOGP_3":2.207,"moe2D_GCUT_SMR_0":-0.4045,"moe2D_GCUT_SMR_1":-0.06151,"moe2D_GCUT_SMR_2":0.5333,"moe2D_GCUT_SMR_3":2.29,"moe2D_Kier1":9.091,"moe2D_Kier2":3.164,"moe2D_Kier3":1.6,"moe2D_KierA1":11.6,"moe2D_KierA2":4.141,"moe2D_KierA3":2.14,"moe2D_KierFlex":4.367,"moe2D_PEOE_PC.":0.6465,"moe2D_PEOE_PC..1":-0.6465,"moe2D_PEOE_RPC.":0.1918,"moe2D_PEOE_RPC..1":0.4638,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":29.04,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":12.25,"moe2D_PEOE_VSA.1.1":118.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":6.651,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9638,"moe2D_PEOE_VSA_FNEG":0.7478,"moe2D_PEOE_VSA_FPNEG":0.03624,"moe2D_PEOE_VSA_FPOL":0.03624,"moe2D_PEOE_VSA_FPOS":0.2522,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":176.9,"moe2D_PEOE_VSA_NEG":137.2,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":46.28,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.758,"moe2D_Q_PC..1":-1.758,"moe2D_Q_RPC.":0.2275,"moe2D_Q_RPC..1":0.5119,"moe2D_Q_VSA_FHYD":0.8698,"moe2D_Q_VSA_FNEG":0.7478,"moe2D_Q_VSA_FPNEG":0.03624,"moe2D_Q_VSA_FPOL":0.1302,"moe2D_Q_VSA_FPOS":0.2522,"moe2D_Q_VSA_FPPOS":0.09393,"moe2D_Q_VSA_HYD":159.6,"moe2D_Q_VSA_NEG":137.2,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":46.28,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":5.089,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":14,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":50.54,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":156.6,"moe2D_SlogP":3.882,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":14,"moe2D_SlogP_VSA7":17.64,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":159.4,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.107,"moe2D_VDistMa":6.643,"moe2D_Weight":230.9,"moe2D_a_IC":25.04,"moe2D_a_ICM":1.788,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":4,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":22.38,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.675,"moe2D_bpol":4.3,"moe2D_chi0":8.594,"moe2D_chi0_C":3.594,"moe2D_chi0v":8.19,"moe2D_chi0v_C":3.077,"moe2D_chi1":5.037,"moe2D_chi1_C":2.15,"moe2D_chi1v":4.134,"moe2D_chi1v_C":1.577,"moeGao_chi2_C":1.284,"moeGao_chi2v_C":0.808,"moeGao_chi3c":1.049,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.683,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.197,"moeGao_chi3p_C":0.7666,"moeGao_chi3pv":2.75,"moeGao_chi3pv_C":0.4137,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.531,"moeGao_chi4ca_C":0.457,"moeGao_chi4cav":1.416,"moeGao_chi4cav_C":0.2117,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.725,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.114,"moe2D_diameter":5,"moe2D_kS_aaCH":1.449,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.083,"moe2D_kS_aasC":0.2137,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":22.58,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.451,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.631,"moe2D_logS":-4.043,"moe2D_mr":4.811,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":183.5,"moe2D_vdw_vol":207.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":158.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":140,"moe2D_weinerPol":17,"moe2D_zagreb":54}
{"Molecule":"236-trimethylphenol","moeGao_Abra_L":5.199,"moeGao_Abra_R":0.853,"moeGao_Abra_acidity":0.411,"moeGao_Abra_basicity":0.421,"moeGao_Abra_pi":0.803,"moe2D_BCUT_PEOE_0":-2.379,"moe2D_BCUT_PEOE_1":-0.2094,"moe2D_BCUT_PEOE_2":0.2768,"moe2D_BCUT_PEOE_3":2.337,"moe2D_BCUT_SLOGP_0":-2.22,"moe2D_BCUT_SLOGP_1":-0.1129,"moe2D_BCUT_SLOGP_2":0.3457,"moe2D_BCUT_SLOGP_3":2.511,"moe2D_BCUT_SMR_0":-2.089,"moe2D_BCUT_SMR_1":-0.01905,"moe2D_BCUT_SMR_2":0.4579,"moe2D_BCUT_SMR_3":2.636,"moe2D_GCUT_PEOE_0":-0.7641,"moe2D_GCUT_PEOE_1":-0.2811,"moe2D_GCUT_PEOE_2":-0.1166,"moe2D_GCUT_PEOE_3":2.227,"moe2D_GCUT_SLOGP_0":-0.7621,"moe2D_GCUT_SLOGP_1":-0.1702,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.396,"moe2D_GCUT_SMR_0":-0.4852,"moe2D_GCUT_SMR_1":-0.09895,"moe2D_GCUT_SMR_2":0.06675,"moe2D_GCUT_SMR_3":2.51,"moe2D_Kier1":8.1,"moe2D_Kier2":2.939,"moe2D_Kier3":1.55,"moe2D_KierA1":6.23,"moe2D_KierA2":2.186,"moe2D_KierA3":1.122,"moe2D_KierFlex":1.362,"moe2D_PEOE_PC.":0.6704,"moe2D_PEOE_PC..1":-0.6704,"moe2D_PEOE_RPC.":0.3242,"moe2D_PEOE_RPC..1":0.5359,"moe2D_PEOE_VSA.0":38.39,"moe2D_PEOE_VSA.1":16.99,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":62.87,"moe2D_PEOE_VSA.1.1":24.51,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8875,"moe2D_PEOE_VSA_FNEG":0.5915,"moe2D_PEOE_VSA_FPNEG":0.04829,"moe2D_PEOE_VSA_FPOL":0.1125,"moe2D_PEOE_VSA_FPOS":0.4085,"moe2D_PEOE_VSA_FPPOS":0.06419,"moe2D_PEOE_VSA_HYD":142.8,"moe2D_PEOE_VSA_NEG":95.15,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":65.7,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.263,"moe2D_Q_PC..1":-1.263,"moe2D_Q_RPC.":0.3563,"moe2D_Q_RPC..1":0.4216,"moe2D_Q_VSA_FHYD":0.8875,"moe2D_Q_VSA_FNEG":0.2419,"moe2D_Q_VSA_FPNEG":0.04829,"moe2D_Q_VSA_FPOL":0.1125,"moe2D_Q_VSA_FPOS":0.7581,"moe2D_Q_VSA_FPPOS":0.06419,"moe2D_Q_VSA_HYD":142.8,"moe2D_Q_VSA_NEG":38.9,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":121.9,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":4.232,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":14.8,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":2.317,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":9.557,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":105.2,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.04,"moe2D_VDistMa":6.354,"moe2D_Weight":136.2,"moe2D_a_IC":26.56,"moe2D_a_ICM":1.207,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":22,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":24.64,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":22,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":2.573,"moe2D_bpol":13.12,"moe2D_chi0":7.724,"moe2D_chi0_C":6.724,"moe2D_chi0v":6.602,"moe2D_chi0v_C":6.155,"moe2D_chi1":4.626,"moe2D_chi1_C":4.049,"moe2D_chi1v":3.384,"moe2D_chi1v_C":3.161,"moeGao_chi2_C":3.583,"moeGao_chi2v_C":2.449,"moeGao_chi3c":0.8563,"moeGao_chi3c_C":0.6639,"moeGao_chi3cv":0.4696,"moeGao_chi3cv_C":0.4137,"moeGao_chi3p":3.702,"moeGao_chi3p_C":2.607,"moeGao_chi3pv":1.904,"moeGao_chi3pv_C":1.56,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.088,"moeGao_chi4ca_C":1.593,"moeGao_chi4cav":0.9364,"moeGao_chi4cav_C":0.811,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.341,"moeGao_chi4pc_C":1.281,"moeGao_chi4pcv":1.007,"moeGao_chi4pcv_C":0.715,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6465,"moe2D_diameter":5,"moe2D_kS_aaCH":3.946,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":3.506,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":5.827,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.387,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.486,"moe2D_logS":-1.818,"moe2D_mr":4.241,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":160.8,"moe2D_vdw_vol":210.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":134.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":109,"moe2D_weinerPol":14,"moe2D_zagreb":48}
{"Molecule":"23-dimethyl-13-butadiene","moeGao_Abra_L":2.508,"moeGao_Abra_R":0.31,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.123,"moeGao_Abra_pi":0.159,"moe2D_BCUT_PEOE_0":-2.354,"moe2D_BCUT_PEOE_1":0.02774,"moe2D_BCUT_PEOE_2":0.05375,"moe2D_BCUT_PEOE_3":2.285,"moe2D_BCUT_SLOGP_0":-2.175,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.463,"moe2D_BCUT_SMR_0":-2.062,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.587,"moe2D_GCUT_PEOE_0":-0.7791,"moe2D_GCUT_PEOE_1":-0.1323,"moe2D_GCUT_PEOE_2":-0.1063,"moe2D_GCUT_PEOE_3":1.915,"moe2D_GCUT_SLOGP_0":-0.5828,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.083,"moe2D_GCUT_SMR_0":-0.4763,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.195,"moe2D_Kier1":6,"moe2D_Kier2":2.222,"moe2D_Kier3":3,"moe2D_KierA1":4.399,"moe2D_KierA2":1.507,"moe2D_KierA3":1.877,"moe2D_KierFlex":1.105,"moe2D_PEOE_PC.":0.3815,"moe2D_PEOE_PC..1":-0.3815,"moe2D_PEOE_RPC.":0.1409,"moe2D_PEOE_RPC..1":0.2504,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":49.02,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6698,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3302,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":129.2,"moe2D_PEOE_VSA_NEG":86.51,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":42.65,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.8764,"moe2D_Q_PC..1":-0.8764,"moe2D_Q_RPC.":0.1712,"moe2D_Q_RPC..1":0.3423,"moe2D_Q_VSA_FHYD":0.6547,"moe2D_Q_VSA_FNEG":0.3795,"moe2D_Q_VSA_FPNEG":0.3453,"moe2D_Q_VSA_FPOL":0.3453,"moe2D_Q_VSA_FPOS":0.6205,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":84.57,"moe2D_Q_VSA_NEG":49.02,"moe2D_Q_VSA_PNEG":44.6,"moe2D_Q_VSA_POL":44.6,"moe2D_Q_VSA_POS":80.15,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":2.963,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":130.9,"moe2D_SlogP":2.139,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":6.371,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":130.9,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.566,"moe2D_VDistMa":4.788,"moe2D_Weight":82.15,"moe2D_a_IC":15.27,"moe2D_a_ICM":0.9544,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":17.23,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.2,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":2,"moe2D_b_heavy":5,"moe2D_b_rotN":1,"moe2D_b_rotR":0.2,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":3.162,"moe2D_bpol":10.93,"moe2D_chi0":5.155,"moe2D_chi0_C":5.155,"moe2D_chi0v":4.414,"moe2D_chi0v_C":4.414,"moe2D_chi1":2.643,"moe2D_chi1_C":2.643,"moe2D_chi1v":1.957,"moe2D_chi1v_C":1.957,"moeGao_chi2_C":2.488,"moeGao_chi2v_C":1.561,"moeGao_chi3c":0.6667,"moeGao_chi3c_C":0.6667,"moeGao_chi3cv":0.3536,"moeGao_chi3cv_C":0.3536,"moeGao_chi3p":1.333,"moeGao_chi3p_C":1.333,"moeGao_chi3pv":0.7286,"moeGao_chi3pv_C":0.7286,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.333,"moeGao_chi4pc_C":1.333,"moeGao_chi4pcv":0.6036,"moeGao_chi4pcv_C":0.6036,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5525,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":7.31,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":2.13,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.894,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.727,"moe2D_logS":-2.498,"moe2D_mr":2.851,"moe2D_opr_brigid":2,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":129.2,"moe2D_vdw_vol":148.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":122.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":29,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"24'-dichloroacetophenone","moeGao_Abra_L":6.21,"moeGao_Abra_R":1.065,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.449,"moeGao_Abra_pi":1.314,"moe2D_BCUT_PEOE_0":-2.21,"moe2D_BCUT_PEOE_1":-0.6099,"moe2D_BCUT_PEOE_2":0.6445,"moe2D_BCUT_PEOE_3":2.289,"moe2D_BCUT_SLOGP_0":-2.267,"moe2D_BCUT_SLOGP_1":-0.437,"moe2D_BCUT_SLOGP_2":0.7821,"moe2D_BCUT_SLOGP_3":2.33,"moe2D_BCUT_SMR_0":-1.919,"moe2D_BCUT_SMR_1":-0.4122,"moe2D_BCUT_SMR_2":0.8412,"moe2D_BCUT_SMR_3":2.581,"moe2D_GCUT_PEOE_0":-0.7244,"moe2D_GCUT_PEOE_1":-0.3818,"moe2D_GCUT_PEOE_2":0.06044,"moe2D_GCUT_PEOE_3":2.03,"moe2D_GCUT_SLOGP_0":-0.8636,"moe2D_GCUT_SLOGP_1":-0.2064,"moe2D_GCUT_SLOGP_2":0.2707,"moe2D_GCUT_SLOGP_3":2.16,"moe2D_GCUT_SMR_0":-0.4251,"moe2D_GCUT_SMR_1":-0.1664,"moe2D_GCUT_SMR_2":0.3019,"moe2D_GCUT_SMR_3":2.341,"moe2D_Kier1":9.091,"moe2D_Kier2":4.133,"moe2D_Kier3":2.5,"moe2D_KierA1":8.653,"moe2D_KierA2":3.913,"moe2D_KierA3":2.356,"moe2D_KierFlex":3.078,"moe2D_PEOE_PC.":0.6765,"moe2D_PEOE_PC..1":-0.6765,"moe2D_PEOE_RPC.":0.2626,"moe2D_PEOE_RPC..1":0.4299,"moe2D_PEOE_VSA.0":6.728,"moe2D_PEOE_VSA.1":36.6,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":8.459,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":29.58,"moe2D_PEOE_VSA.2.1":29.58,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9218,"moe2D_PEOE_VSA_FNEG":0.7016,"moe2D_PEOE_VSA_FPNEG":0.07818,"moe2D_PEOE_VSA_FPOL":0.07818,"moe2D_PEOE_VSA_FPOS":0.2984,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":160,"moe2D_PEOE_VSA_NEG":121.8,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":51.79,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.637,"moe2D_Q_PC..1":-1.637,"moe2D_Q_RPC.":0.2583,"moe2D_Q_RPC..1":0.3482,"moe2D_Q_VSA_FHYD":0.6392,"moe2D_Q_VSA_FNEG":0.7016,"moe2D_Q_VSA_FPNEG":0.2486,"moe2D_Q_VSA_FPOL":0.3608,"moe2D_Q_VSA_FPOS":0.2984,"moe2D_Q_VSA_FPPOS":0.1122,"moe2D_Q_VSA_HYD":110.9,"moe2D_Q_VSA_NEG":121.8,"moe2D_Q_VSA_PNEG":43.15,"moe2D_Q_VSA_POL":62.62,"moe2D_Q_VSA_POS":51.79,"moe2D_Q_VSA_PPOS":19.47,"moe2D_SMR":4.65,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.686,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":24.87,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":2.761,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":19.18,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":78.3,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.512,"moe2D_VDistMa":6.584,"moe2D_Weight":189,"moe2D_a_IC":27.98,"moe2D_a_ICM":1.646,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":17,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":23.24,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1818,"moe2D_b_ar":6,"moe2D_b_count":17,"moe2D_b_double":1,"moe2D_b_heavy":11,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1818,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.307,"moe2D_bpol":8.357,"moe2D_chi0":8.268,"moe2D_chi0_C":5.268,"moe2D_chi0v":7.193,"moe2D_chi0v_C":4.517,"moe2D_chi1":5.236,"moe2D_chi1_C":3.375,"moe2D_chi1v":3.998,"moe2D_chi1v_C":2.425,"moeGao_chi2_C":2.439,"moeGao_chi2v_C":1.465,"moeGao_chi3c":0.691,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.3445,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":3.509,"moeGao_chi3p_C":1.816,"moeGao_chi3pv":1.782,"moeGao_chi3pv_C":0.9224,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.188,"moeGao_chi4ca_C":1.188,"moeGao_chi4cav":0.9932,"moeGao_chi4cav_C":0.5047,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.498,"moeGao_chi4pc_C":0.3536,"moeGao_chi4pcv":0.5726,"moeGao_chi4pcv_C":0.1552,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8967,"moe2D_diameter":7,"moe2D_kS_aaCH":6.656,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.6214,"moe2D_kS_aasC":0.6013,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.95,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.08025,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":10.96,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.01551,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.779,"moe2D_logS":-3.189,"moe2D_mr":4.73,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":173.5,"moe2D_vdw_vol":210.8,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":147.2,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":160,"moe2D_weinerPol":13,"moe2D_zagreb":50}
{"Molecule":"245-trichlorophenole","moeGao_Abra_L":5.629,"moeGao_Abra_R":1.134,"moeGao_Abra_acidity":0.758,"moeGao_Abra_basicity":0.216,"moeGao_Abra_pi":0.992,"moe2D_BCUT_PEOE_0":-2.119,"moe2D_BCUT_PEOE_1":-0.674,"moe2D_BCUT_PEOE_2":0.6789,"moe2D_BCUT_PEOE_3":2.145,"moe2D_BCUT_SLOGP_0":-1.902,"moe2D_BCUT_SLOGP_1":-0.3794,"moe2D_BCUT_SLOGP_2":0.9637,"moe2D_BCUT_SLOGP_3":2.414,"moe2D_BCUT_SMR_0":-1.795,"moe2D_BCUT_SMR_1":-0.3609,"moe2D_BCUT_SMR_2":1.032,"moe2D_BCUT_SMR_3":2.478,"moe2D_GCUT_PEOE_0":-0.7545,"moe2D_GCUT_PEOE_1":-0.4075,"moe2D_GCUT_PEOE_2":0.05245,"moe2D_GCUT_PEOE_3":1.88,"moe2D_GCUT_SLOGP_0":-0.7616,"moe2D_GCUT_SLOGP_1":-0.1608,"moe2D_GCUT_SLOGP_2":0.4472,"moe2D_GCUT_SLOGP_3":2.16,"moe2D_GCUT_SMR_0":-0.4272,"moe2D_GCUT_SMR_1":-0.1296,"moe2D_GCUT_SMR_2":0.4309,"moe2D_GCUT_SMR_3":2.216,"moe2D_Kier1":8.1,"moe2D_Kier2":2.939,"moe2D_Kier3":1.75,"moe2D_KierA1":9.732,"moe2D_KierA2":3.607,"moe2D_KierA3":2.186,"moe2D_KierFlex":3.511,"moe2D_PEOE_PC.":0.635,"moe2D_PEOE_PC..1":-0.635,"moe2D_PEOE_RPC.":0.3423,"moe2D_PEOE_RPC..1":0.5643,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":30.55,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8883,"moe2D_PEOE_VSA_FNEG":0.7475,"moe2D_PEOE_VSA_FPNEG":0.04798,"moe2D_PEOE_VSA_FPOL":0.1117,"moe2D_PEOE_VSA_FPOS":0.2525,"moe2D_PEOE_VSA_FPPOS":0.06377,"moe2D_PEOE_VSA_HYD":143.8,"moe2D_PEOE_VSA_NEG":121,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":40.87,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.363,"moe2D_Q_PC..1":-1.364,"moe2D_Q_RPC.":0.33,"moe2D_Q_RPC..1":0.3905,"moe2D_Q_VSA_FHYD":0.8883,"moe2D_Q_VSA_FNEG":0.7475,"moe2D_Q_VSA_FPNEG":0.04798,"moe2D_Q_VSA_FPOL":0.1117,"moe2D_Q_VSA_FPOS":0.2525,"moe2D_Q_VSA_FPPOS":0.06377,"moe2D_Q_VSA_HYD":143.8,"moe2D_Q_VSA_NEG":121,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":40.87,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":4.314,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":15.75,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":3.352,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":10.5,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":122.7,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.111,"moe2D_VDistMa":6.344,"moe2D_Weight":197.4,"moe2D_a_IC":23.09,"moe2D_a_ICM":1.776,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":19.9,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.516,"moe2D_bpol":4.54,"moe2D_chi0":7.724,"moe2D_chi0_C":3.724,"moe2D_chi0v":7.004,"moe2D_chi0v_C":3.155,"moe2D_chi1":4.609,"moe2D_chi1_C":2.3,"moe2D_chi1v":3.579,"moe2D_chi1v_C":1.655,"moeGao_chi2_C":1.414,"moeGao_chi2v_C":0.866,"moeGao_chi3c":0.9428,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.5555,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.43,"moeGao_chi3p_C":0.8777,"moeGao_chi3pv":2.015,"moeGao_chi3pv_C":0.4553,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.102,"moeGao_chi4ca_C":0.542,"moeGao_chi4cav":1.053,"moeGao_chi4cav_C":0.2388,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.154,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.116,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.066,"moe2D_diameter":5,"moe2D_kS_aaCH":2.688,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.8356,"moe2D_kS_aasC":-0.0592,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":16.59,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.95,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.444,"moe2D_logS":-3.226,"moe2D_mr":4.251,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":161.9,"moe2D_vdw_vol":185.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":142.4,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":111,"moe2D_weinerPol":13,"moe2D_zagreb":48}
{"Molecule":"246-tri-tert-butylphenol","moeGao_Abra_L":8.454,"moeGao_Abra_R":0.79,"moeGao_Abra_acidity":0.411,"moeGao_Abra_basicity":0.574,"moeGao_Abra_pi":0.566,"moe2D_BCUT_PEOE_0":-2.677,"moe2D_BCUT_PEOE_1":0.0238,"moe2D_BCUT_PEOE_2":0.0238,"moe2D_BCUT_PEOE_3":2.629,"moe2D_BCUT_SLOGP_0":-2.578,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.74,"moe2D_BCUT_SMR_0":-2.408,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.905,"moe2D_GCUT_PEOE_0":-0.7959,"moe2D_GCUT_PEOE_1":-0.1362,"moe2D_GCUT_PEOE_2":-0.1362,"moe2D_GCUT_PEOE_3":2.882,"moe2D_GCUT_SLOGP_0":-0.7635,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":3.012,"moe2D_GCUT_SMR_0":-0.5264,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":3.139,"moe2D_Kier1":17.05,"moe2D_Kier2":5.08,"moe2D_Kier3":3.986,"moe2D_KierA1":14.97,"moe2D_KierA2":4.424,"moe2D_KierA3":3.451,"moe2D_KierFlex":3.485,"moe2D_PEOE_PC.":1.065,"moe2D_PEOE_PC..1":-1.065,"moe2D_PEOE_RPC.":0.2041,"moe2D_PEOE_RPC..1":0.3374,"moe2D_PEOE_VSA.0":115.2,"moe2D_PEOE_VSA.1":16.99,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":6.626,"moe2D_PEOE_VSA.1.1":193.2,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9483,"moe2D_PEOE_VSA_FNEG":0.593,"moe2D_PEOE_VSA_FPNEG":0.02219,"moe2D_PEOE_VSA_FPOL":0.05167,"moe2D_PEOE_VSA_FPOS":0.407,"moe2D_PEOE_VSA_FPPOS":0.02949,"moe2D_PEOE_VSA_HYD":332,"moe2D_PEOE_VSA_NEG":207.6,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":142.5,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.263,"moe2D_Q_PC..1":-1.263,"moe2D_Q_RPC.":0.3563,"moe2D_Q_RPC..1":0.4216,"moe2D_Q_VSA_FHYD":0.9483,"moe2D_Q_VSA_FNEG":0.1111,"moe2D_Q_VSA_FPNEG":0.02219,"moe2D_Q_VSA_FPOL":0.05167,"moe2D_Q_VSA_FPOS":0.8889,"moe2D_Q_VSA_FPPOS":0.02949,"moe2D_Q_VSA_HYD":332,"moe2D_Q_VSA_NEG":38.9,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":311.2,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":8.421,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":14.8,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":299.9,"moe2D_SlogP":5.285,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":9.557,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":305.2,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.4855,"moe2D_VAdjMa":5.248,"moe2D_VDistEq":2.566,"moe2D_VDistMa":8.26,"moe2D_Weight":262.4,"moe2D_a_IC":52.86,"moe2D_a_ICM":1.079,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":49,"moe2D_a_don":1,"moe2D_a_heavy":19,"moe2D_a_hyd":18,"moe2D_a_nBr":0,"moe2D_a_nC":18,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":30,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":52.49,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":49,"moe2D_b_double":0,"moe2D_b_heavy":19,"moe2D_b_rotN":3,"moe2D_b_rotR":0.1579,"moe2D_b_single":43,"moe2D_b_triple":0,"moe2D_balabanJ":3.099,"moe2D_bpol":32.8,"moe2D_chi0":15.22,"moe2D_chi0_C":14.22,"moe2D_chi0v":14.1,"moe2D_chi0v_C":13.65,"moe2D_chi1":8.243,"moe2D_chi1_C":7.666,"moe2D_chi1v":7.128,"moe2D_chi1v_C":6.905,"moeGao_chi2_C":9.672,"moeGao_chi2v_C":8.446,"moeGao_chi3c":4.671,"moeGao_chi3c_C":4.478,"moeGao_chi3cv":4.034,"moeGao_chi3cv_C":3.978,"moeGao_chi3p":5.796,"moeGao_chi3p_C":4.991,"moeGao_chi3pv":3.592,"moeGao_chi3pv_C":3.351,"moeGao_chi4c":0.866,"moeGao_chi4c_C":0.866,"moeGao_chi4ca":4.411,"moeGao_chi4ca_C":3.138,"moeGao_chi4cav":2.211,"moeGao_chi4cav_C":1.811,"moeGao_chi4cv":0.75,"moeGao_chi4cv_C":0.75,"moeGao_chi4pc":5.729,"moeGao_chi4pc_C":5.028,"moeGao_chi4pcv":3.578,"moeGao_chi4pcv_C":3.393,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6095,"moe2D_diameter":6,"moe2D_kS_aaCH":4.342,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":3.85,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":19.58,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":10.65,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-0.00954,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":1,"moe2D_logP.o.w.":6.165,"moe2D_logS":-6.455,"moe2D_mr":8.177,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":3,"moe2D_opr_violation":1,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":350.1,"moe2D_vdw_vol":430.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":311.4,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":620,"moe2D_weinerPol":31,"moe2D_zagreb":102}
{"Molecule":"246-trichloroaniline","moeGao_Abra_L":6.306,"moeGao_Abra_R":1.336,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.337,"moeGao_Abra_pi":1.248,"moe2D_BCUT_PEOE_0":-2.183,"moe2D_BCUT_PEOE_1":-0.6336,"moe2D_BCUT_PEOE_2":0.6335,"moe2D_BCUT_PEOE_3":2.163,"moe2D_BCUT_SLOGP_0":-2.313,"moe2D_BCUT_SLOGP_1":-0.2995,"moe2D_BCUT_SLOGP_2":0.9774,"moe2D_BCUT_SLOGP_3":2.398,"moe2D_BCUT_SMR_0":-1.828,"moe2D_BCUT_SMR_1":-0.2968,"moe2D_BCUT_SMR_2":0.9814,"moe2D_BCUT_SMR_3":2.519,"moe2D_GCUT_PEOE_0":-0.8008,"moe2D_GCUT_PEOE_1":-0.3929,"moe2D_GCUT_PEOE_2":0.03185,"moe2D_GCUT_PEOE_3":1.918,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.1092,"moe2D_GCUT_SLOGP_2":0.4462,"moe2D_GCUT_SLOGP_3":2.173,"moe2D_GCUT_SMR_0":-0.4041,"moe2D_GCUT_SMR_1":-0.07909,"moe2D_GCUT_SMR_2":0.4194,"moe2D_GCUT_SMR_3":2.269,"moe2D_Kier1":8.1,"moe2D_Kier2":2.939,"moe2D_Kier3":1.75,"moe2D_KierA1":9.24,"moe2D_KierA2":3.405,"moe2D_KierA3":2.053,"moe2D_KierFlex":3.146,"moe2D_PEOE_PC.":0.5939,"moe2D_PEOE_PC..1":-0.5939,"moe2D_PEOE_RPC.":0.2088,"moe2D_PEOE_RPC..1":0.505,"moe2D_PEOE_VSA.0":4.52,"moe2D_PEOE_VSA.1":24.27,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":6.651,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9599,"moe2D_PEOE_VSA_FNEG":0.7226,"moe2D_PEOE_VSA_FPNEG":0.04008,"moe2D_PEOE_VSA_FPOL":0.04008,"moe2D_PEOE_VSA_FPOS":0.2774,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":159.3,"moe2D_PEOE_VSA_NEG":119.9,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":46.03,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.731,"moe2D_Q_PC..1":-1.731,"moe2D_Q_RPC.":0.2311,"moe2D_Q_RPC..1":0.5199,"moe2D_Q_VSA_FHYD":0.856,"moe2D_Q_VSA_FNEG":0.7226,"moe2D_Q_VSA_FPNEG":0.04008,"moe2D_Q_VSA_FPOL":0.144,"moe2D_Q_VSA_FPOS":0.2774,"moe2D_Q_VSA_FPPOS":0.1039,"moe2D_Q_VSA_HYD":142,"moe2D_Q_VSA_NEG":119.9,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":46.03,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":4.588,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.5,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":68.18,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":3.229,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":10.5,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":120.2,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.063,"moe2D_VDistMa":6.35,"moe2D_Weight":196.5,"moe2D_a_IC":25.04,"moe2D_a_ICM":1.788,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":20.87,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.543,"moe2D_bpol":4.973,"moe2D_chi0":7.724,"moe2D_chi0_C":3.724,"moe2D_chi0v":7.134,"moe2D_chi0v_C":3.155,"moe2D_chi1":4.609,"moe2D_chi1_C":2.3,"moe2D_chi1v":3.644,"moe2D_chi1v_C":1.655,"moeGao_chi2_C":1.424,"moeGao_chi2v_C":0.869,"moeGao_chi3c":0.9525,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.5885,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.343,"moeGao_chi3p_C":0.8777,"moeGao_chi3pv":1.887,"moeGao_chi3pv_C":0.4553,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.356,"moeGao_chi4ca_C":0.542,"moeGao_chi4cav":1.37,"moeGao_chi4cav_C":0.2388,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.006,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.9523,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.026,"moe2D_diameter":5,"moe2D_kS_aaCH":3.092,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.263,"moe2D_kS_aasC":0.3683,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":16.85,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.428,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.08,"moe2D_logS":-3.309,"moe2D_mr":4.389,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":165.9,"moe2D_vdw_vol":191.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":140.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":110,"moe2D_weinerPol":13,"moe2D_zagreb":48}
{"Molecule":"246-trichlorophenol","moeGao_Abra_L":5.629,"moeGao_Abra_R":1.134,"moeGao_Abra_acidity":0.639,"moeGao_Abra_basicity":0.239,"moeGao_Abra_pi":0.992,"moe2D_BCUT_PEOE_0":-2.117,"moe2D_BCUT_PEOE_1":-0.6725,"moe2D_BCUT_PEOE_2":0.6774,"moe2D_BCUT_PEOE_3":2.147,"moe2D_BCUT_SLOGP_0":-1.899,"moe2D_BCUT_SLOGP_1":-0.3355,"moe2D_BCUT_SLOGP_2":1.008,"moe2D_BCUT_SLOGP_3":2.419,"moe2D_BCUT_SMR_0":-1.793,"moe2D_BCUT_SMR_1":-0.3293,"moe2D_BCUT_SMR_2":1.02,"moe2D_BCUT_SMR_3":2.479,"moe2D_GCUT_PEOE_0":-0.7476,"moe2D_GCUT_PEOE_1":-0.405,"moe2D_GCUT_PEOE_2":0.04167,"moe2D_GCUT_PEOE_3":1.881,"moe2D_GCUT_SLOGP_0":-0.7616,"moe2D_GCUT_SLOGP_1":-0.12,"moe2D_GCUT_SLOGP_2":0.4537,"moe2D_GCUT_SLOGP_3":2.162,"moe2D_GCUT_SMR_0":-0.4252,"moe2D_GCUT_SMR_1":-0.08529,"moe2D_GCUT_SMR_2":0.4254,"moe2D_GCUT_SMR_3":2.217,"moe2D_Kier1":8.1,"moe2D_Kier2":2.939,"moe2D_Kier3":1.75,"moe2D_KierA1":9.732,"moe2D_KierA2":3.607,"moe2D_KierA3":2.186,"moe2D_KierFlex":3.511,"moe2D_PEOE_PC.":0.6469,"moe2D_PEOE_PC..1":-0.6469,"moe2D_PEOE_RPC.":0.3361,"moe2D_PEOE_RPC..1":0.5519,"moe2D_PEOE_VSA.0":4.52,"moe2D_PEOE_VSA.1":17.57,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8883,"moe2D_PEOE_VSA_FNEG":0.7475,"moe2D_PEOE_VSA_FPNEG":0.04798,"moe2D_PEOE_VSA_FPOL":0.1117,"moe2D_PEOE_VSA_FPOS":0.2525,"moe2D_PEOE_VSA_FPPOS":0.06377,"moe2D_PEOE_VSA_HYD":143.8,"moe2D_PEOE_VSA_NEG":121,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":40.87,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.363,"moe2D_Q_PC..1":-1.364,"moe2D_Q_RPC.":0.33,"moe2D_Q_RPC..1":0.3905,"moe2D_Q_VSA_FHYD":0.8883,"moe2D_Q_VSA_FNEG":0.7475,"moe2D_Q_VSA_FPNEG":0.04798,"moe2D_Q_VSA_FPOL":0.1117,"moe2D_Q_VSA_FPOS":0.2525,"moe2D_Q_VSA_FPPOS":0.06377,"moe2D_Q_VSA_HYD":143.8,"moe2D_Q_VSA_NEG":121,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":40.87,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":4.314,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":15.75,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":3.352,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":10.5,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":122.7,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.063,"moe2D_VDistMa":6.35,"moe2D_Weight":197.4,"moe2D_a_IC":23.09,"moe2D_a_ICM":1.776,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":19.9,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.543,"moe2D_bpol":4.54,"moe2D_chi0":7.724,"moe2D_chi0_C":3.724,"moe2D_chi0v":7.004,"moe2D_chi0v_C":3.155,"moe2D_chi1":4.609,"moe2D_chi1_C":2.3,"moe2D_chi1v":3.579,"moe2D_chi1v_C":1.655,"moeGao_chi2_C":1.424,"moeGao_chi2v_C":0.869,"moeGao_chi3c":0.9525,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.5722,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.343,"moeGao_chi3p_C":0.8777,"moeGao_chi3pv":1.776,"moeGao_chi3pv_C":0.4553,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.356,"moeGao_chi4ca_C":0.542,"moeGao_chi4cav":1.352,"moeGao_chi4cav_C":0.2388,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.006,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.854,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.066,"moe2D_diameter":5,"moe2D_kS_aaCH":2.842,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.7387,"moe2D_kS_aasC":-0.1317,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":16.54,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.008,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.444,"moe2D_logS":-3.226,"moe2D_mr":4.251,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":161.9,"moe2D_vdw_vol":185.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":142.4,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":110,"moe2D_weinerPol":13,"moe2D_zagreb":48}
{"Molecule":"246-trimethylphenol","moeGao_Abra_L":5.199,"moeGao_Abra_R":0.853,"moeGao_Abra_acidity":0.411,"moeGao_Abra_basicity":0.421,"moeGao_Abra_pi":0.803,"moe2D_BCUT_PEOE_0":-2.371,"moe2D_BCUT_PEOE_1":0.01526,"moe2D_BCUT_PEOE_2":0.02783,"moe2D_BCUT_PEOE_3":2.327,"moe2D_BCUT_SLOGP_0":-2.209,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.1295,"moe2D_BCUT_SLOGP_3":2.503,"moe2D_BCUT_SMR_0":-2.08,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.2288,"moe2D_BCUT_SMR_3":2.628,"moe2D_GCUT_PEOE_0":-0.7645,"moe2D_GCUT_PEOE_1":-0.2278,"moe2D_GCUT_PEOE_2":-0.1322,"moe2D_GCUT_PEOE_3":2.221,"moe2D_GCUT_SLOGP_0":-0.7621,"moe2D_GCUT_SLOGP_1":-0.1161,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.39,"moe2D_GCUT_SMR_0":-0.4847,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.01752,"moe2D_GCUT_SMR_3":2.505,"moe2D_Kier1":8.1,"moe2D_Kier2":2.939,"moe2D_Kier3":1.75,"moe2D_KierA1":6.23,"moe2D_KierA2":2.186,"moe2D_KierA3":1.267,"moe2D_KierFlex":1.362,"moe2D_PEOE_PC.":0.6707,"moe2D_PEOE_PC..1":-0.6707,"moe2D_PEOE_RPC.":0.324,"moe2D_PEOE_RPC..1":0.5357,"moe2D_PEOE_VSA.0":38.39,"moe2D_PEOE_VSA.1":16.99,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":62.87,"moe2D_PEOE_VSA.1.1":24.51,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8875,"moe2D_PEOE_VSA_FNEG":0.5915,"moe2D_PEOE_VSA_FPNEG":0.04829,"moe2D_PEOE_VSA_FPOL":0.1125,"moe2D_PEOE_VSA_FPOS":0.4085,"moe2D_PEOE_VSA_FPPOS":0.06419,"moe2D_PEOE_VSA_HYD":142.8,"moe2D_PEOE_VSA_NEG":95.15,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":65.7,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.263,"moe2D_Q_PC..1":-1.263,"moe2D_Q_RPC.":0.3563,"moe2D_Q_RPC..1":0.4216,"moe2D_Q_VSA_FHYD":0.8875,"moe2D_Q_VSA_FNEG":0.2419,"moe2D_Q_VSA_FPNEG":0.04829,"moe2D_Q_VSA_FPOL":0.1125,"moe2D_Q_VSA_FPOS":0.7581,"moe2D_Q_VSA_FPPOS":0.06419,"moe2D_Q_VSA_HYD":142.8,"moe2D_Q_VSA_NEG":38.9,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":121.9,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":4.232,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":14.8,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":2.317,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":9.557,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":105.2,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.063,"moe2D_VDistMa":6.35,"moe2D_Weight":136.2,"moe2D_a_IC":26.56,"moe2D_a_ICM":1.207,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":22,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":24.64,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":22,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":2.543,"moe2D_bpol":13.12,"moe2D_chi0":7.724,"moe2D_chi0_C":6.724,"moe2D_chi0v":6.602,"moe2D_chi0v_C":6.155,"moe2D_chi1":4.609,"moe2D_chi1_C":4.032,"moe2D_chi1v":3.378,"moe2D_chi1v_C":3.155,"moeGao_chi2_C":3.724,"moeGao_chi2v_C":2.524,"moeGao_chi3c":0.9525,"moeGao_chi3c_C":0.7601,"moeGao_chi3cv":0.5112,"moeGao_chi3cv_C":0.4553,"moeGao_chi3p":3.343,"moeGao_chi3p_C":2.205,"moeGao_chi3pv":1.635,"moeGao_chi3pv_C":1.283,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.356,"moeGao_chi4ca_C":2.084,"moeGao_chi4cav":1.172,"moeGao_chi4cav_C":1.108,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.006,"moeGao_chi4pc_C":0.8777,"moeGao_chi4pcv":0.7608,"moeGao_chi4pcv_C":0.4553,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6465,"moe2D_diameter":5,"moe2D_kS_aaCH":3.949,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":3.536,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":5.851,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.331,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.562,"moe2D_logS":-1.818,"moe2D_mr":4.237,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":160.8,"moe2D_vdw_vol":210.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":134.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":110,"moe2D_weinerPol":13,"moe2D_zagreb":48}
{"Molecule":"24-dichloroaniline","moeGao_Abra_L":5.589,"moeGao_Abra_R":1.201,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.352,"moeGao_Abra_pi":1.196,"moe2D_BCUT_PEOE_0":-2.197,"moe2D_BCUT_PEOE_1":-0.6232,"moe2D_BCUT_PEOE_2":0.6433,"moe2D_BCUT_PEOE_3":2.148,"moe2D_BCUT_SLOGP_0":-2.319,"moe2D_BCUT_SLOGP_1":-0.3698,"moe2D_BCUT_SLOGP_2":0.9202,"moe2D_BCUT_SLOGP_3":2.368,"moe2D_BCUT_SMR_0":-1.843,"moe2D_BCUT_SMR_1":-0.357,"moe2D_BCUT_SMR_2":0.9313,"moe2D_BCUT_SMR_3":2.503,"moe2D_GCUT_PEOE_0":-0.8065,"moe2D_GCUT_PEOE_1":-0.3865,"moe2D_GCUT_PEOE_2":0.04829,"moe2D_GCUT_PEOE_3":1.907,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.1521,"moe2D_GCUT_SLOGP_2":0.3986,"moe2D_GCUT_SLOGP_3":2.136,"moe2D_GCUT_SMR_0":-0.4052,"moe2D_GCUT_SMR_1":-0.1247,"moe2D_GCUT_SMR_2":0.3819,"moe2D_GCUT_SMR_3":2.247,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.704,"moe2D_KierA1":7.013,"moe2D_KierA2":2.68,"moe2D_KierA3":1.674,"moe2D_KierFlex":2.088,"moe2D_PEOE_PC.":0.5731,"moe2D_PEOE_PC..1":-0.5731,"moe2D_PEOE_RPC.":0.2163,"moe2D_PEOE_RPC..1":0.5253,"moe2D_PEOE_VSA.0":11.22,"moe2D_PEOE_VSA.1":17.32,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":59.16,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9552,"moe2D_PEOE_VSA_FNEG":0.6915,"moe2D_PEOE_VSA_FPNEG":0.04483,"moe2D_PEOE_VSA_FPOL":0.04483,"moe2D_PEOE_VSA_FPOS":0.3085,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":141.7,"moe2D_PEOE_VSA_NEG":102.6,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":45.77,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.704,"moe2D_Q_PC..1":-1.704,"moe2D_Q_RPC.":0.2347,"moe2D_Q_RPC..1":0.5282,"moe2D_Q_VSA_FHYD":0.839,"moe2D_Q_VSA_FNEG":0.6915,"moe2D_Q_VSA_FPNEG":0.04483,"moe2D_Q_VSA_FPOL":0.161,"moe2D_Q_VSA_FPOS":0.3085,"moe2D_Q_VSA_FPPOS":0.1162,"moe2D_Q_VSA_HYD":124.5,"moe2D_Q_VSA_NEG":102.6,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":45.77,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":4.087,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":7.001,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":85.83,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":2.576,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":7.001,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":81.05,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.037,"moe2D_VDistMa":6.021,"moe2D_Weight":162,"moe2D_a_IC":24.18,"moe2D_a_ICM":1.727,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":19.35,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.409,"moe2D_bpol":5.646,"moe2D_chi0":6.853,"moe2D_chi0_C":3.853,"moe2D_chi0v":6.077,"moe2D_chi0v_C":3.232,"moe2D_chi1":4.198,"moe2D_chi1_C":2.466,"moe2D_chi1v":3.161,"moe2D_chi1v_C":1.738,"moeGao_chi2_C":1.573,"moeGao_chi2v_C":0.933,"moeGao_chi3c":0.7601,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.436,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.86,"moeGao_chi3p_C":1.007,"moeGao_chi3pv":1.525,"moeGao_chi3pv_C":0.5017,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.817,"moeGao_chi4ca_C":0.6422,"moeGao_chi4cav":0.91,"moeGao_chi4cav_C":0.2693,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.478,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.6651,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9234,"moe2D_diameter":5,"moe2D_kS_aaCH":4.978,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.108,"moe2D_kS_aasC":0.5565,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":11.18,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.398,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.453,"moe2D_logS":-2.574,"moe2D_mr":3.957,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":148.4,"moe2D_vdw_vol":175.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":122.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":84,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"24-dichlorobenzaldehyde","moeGao_Abra_L":5.685,"moeGao_Abra_R":1.065,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.414,"moeGao_Abra_pi":1.276,"moe2D_BCUT_PEOE_0":-2.131,"moe2D_BCUT_PEOE_1":-0.6243,"moe2D_BCUT_PEOE_2":0.6414,"moe2D_BCUT_PEOE_3":2.161,"moe2D_BCUT_SLOGP_0":-2.015,"moe2D_BCUT_SLOGP_1":-0.3729,"moe2D_BCUT_SLOGP_2":0.9154,"moe2D_BCUT_SLOGP_3":2.337,"moe2D_BCUT_SMR_0":-1.805,"moe2D_BCUT_SMR_1":-0.3563,"moe2D_BCUT_SMR_2":0.9291,"moe2D_BCUT_SMR_3":2.494,"moe2D_GCUT_PEOE_0":-0.7131,"moe2D_GCUT_PEOE_1":-0.3917,"moe2D_GCUT_PEOE_2":0.04734,"moe2D_GCUT_PEOE_3":1.926,"moe2D_GCUT_SLOGP_0":-0.7726,"moe2D_GCUT_SLOGP_1":-0.1726,"moe2D_GCUT_SLOGP_2":0.3847,"moe2D_GCUT_SLOGP_3":2.114,"moe2D_GCUT_SMR_0":-0.3861,"moe2D_GCUT_SMR_1":-0.1383,"moe2D_GCUT_SMR_2":0.3811,"moe2D_GCUT_SMR_3":2.254,"moe2D_Kier1":8.1,"moe2D_Kier2":3.408,"moe2D_Kier3":1.991,"moe2D_KierA1":7.669,"moe2D_KierA2":3.205,"moe2D_KierA3":1.862,"moe2D_KierFlex":2.458,"moe2D_PEOE_PC.":0.5777,"moe2D_PEOE_PC..1":-0.5777,"moe2D_PEOE_RPC.":0.2624,"moe2D_PEOE_RPC..1":0.5118,"moe2D_PEOE_VSA.0":6.728,"moe2D_PEOE_VSA.1":17.32,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":59.16,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9132,"moe2D_PEOE_VSA_FNEG":0.7005,"moe2D_PEOE_VSA_FPNEG":0.08679,"moe2D_PEOE_VSA_FPOL":0.08679,"moe2D_PEOE_VSA_FPOS":0.2995,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":142.7,"moe2D_PEOE_VSA_NEG":109.5,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":46.81,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.374,"moe2D_Q_PC..1":-1.374,"moe2D_Q_RPC.":0.3084,"moe2D_Q_RPC..1":0.4148,"moe2D_Q_VSA_FHYD":0.7948,"moe2D_Q_VSA_FNEG":0.7005,"moe2D_Q_VSA_FPNEG":0.08679,"moe2D_Q_VSA_FPOL":0.2052,"moe2D_Q_VSA_FPOS":0.2995,"moe2D_Q_VSA_FPPOS":0.1184,"moe2D_Q_VSA_HYD":124.2,"moe2D_Q_VSA_NEG":109.5,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":46.81,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":4.185,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.19,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":98.44,"moe2D_SlogP":2.806,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":7.001,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":78.3,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.247,"moe2D_VDistMa":6.325,"moe2D_Weight":175,"moe2D_a_IC":23.65,"moe2D_a_ICM":1.689,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":20.15,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":1,"moe2D_b_heavy":10,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.41,"moe2D_bpol":6.171,"moe2D_chi0":7.56,"moe2D_chi0_C":4.56,"moe2D_chi0v":6.485,"moe2D_chi0v_C":3.809,"moe2D_chi1":4.736,"moe2D_chi1_C":2.875,"moe2D_chi1v":3.396,"moe2D_chi1v_C":2.027,"moeGao_chi2_C":2.098,"moeGao_chi2v_C":1.244,"moeGao_chi3c":0.691,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.436,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":3.134,"moeGao_chi3p_C":1.378,"moeGao_chi3pv":1.652,"moeGao_chi3pv_C":0.6813,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.335,"moeGao_chi4ca_C":0.8563,"moeGao_chi4cav":1.05,"moeGao_chi4cav_C":0.3591,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.409,"moeGao_chi4pc_C":0.2357,"moeGao_chi4pcv":0.6992,"moeGao_chi4pcv_C":0.09623,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.939,"moe2D_diameter":6,"moe2D_kS_aaCH":4.738,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.9288,"moe2D_kS_aasC":0.464,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.21,"moe2D_kS_dsCH":0.6931,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":11.19,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.052,"moe2D_logS":-2.86,"moe2D_mr":4.253,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":156.3,"moe2D_vdw_vol":186.4,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":117.8,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":116,"moe2D_weinerPol":12,"moe2D_zagreb":46}
{"Molecule":"24-dichlorophenol","moeGao_Abra_L":4.912,"moeGao_Abra_R":0.999,"moeGao_Abra_acidity":0.639,"moeGao_Abra_basicity":0.254,"moeGao_Abra_pi":0.94,"moe2D_BCUT_PEOE_0":-2.132,"moe2D_BCUT_PEOE_1":-0.6571,"moe2D_BCUT_PEOE_2":0.6921,"moe2D_BCUT_PEOE_3":2.131,"moe2D_BCUT_SLOGP_0":-1.923,"moe2D_BCUT_SLOGP_1":-0.4403,"moe2D_BCUT_SLOGP_2":0.9552,"moe2D_BCUT_SLOGP_3":2.388,"moe2D_BCUT_SMR_0":-1.81,"moe2D_BCUT_SMR_1":-0.4148,"moe2D_BCUT_SMR_2":0.9611,"moe2D_BCUT_SMR_3":2.462,"moe2D_GCUT_PEOE_0":-0.756,"moe2D_GCUT_PEOE_1":-0.3936,"moe2D_GCUT_PEOE_2":0.06637,"moe2D_GCUT_PEOE_3":1.869,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.187,"moe2D_GCUT_SLOGP_2":0.447,"moe2D_GCUT_SLOGP_3":2.125,"moe2D_GCUT_SMR_0":-0.4273,"moe2D_GCUT_SMR_1":-0.152,"moe2D_GCUT_SMR_2":0.4204,"moe2D_GCUT_SMR_3":2.194,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.704,"moe2D_KierA1":7.455,"moe2D_KierA2":2.872,"moe2D_KierA3":1.809,"moe2D_KierFlex":2.379,"moe2D_PEOE_PC.":0.6152,"moe2D_PEOE_PC..1":-0.6152,"moe2D_PEOE_RPC.":0.3533,"moe2D_PEOE_RPC..1":0.5825,"moe2D_PEOE_VSA.0":4.52,"moe2D_PEOE_VSA.1":25.77,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":59.16,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8746,"moe2D_PEOE_VSA_FNEG":0.7185,"moe2D_PEOE_VSA_FPNEG":0.05382,"moe2D_PEOE_VSA_FPOL":0.1254,"moe2D_PEOE_VSA_FPOS":0.2815,"moe2D_PEOE_VSA_FPPOS":0.07154,"moe2D_PEOE_VSA_HYD":126.2,"moe2D_PEOE_VSA_NEG":103.7,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":40.62,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.337,"moe2D_Q_PC..1":-1.337,"moe2D_Q_RPC.":0.3367,"moe2D_Q_RPC..1":0.3984,"moe2D_Q_VSA_FHYD":0.8746,"moe2D_Q_VSA_FNEG":0.7185,"moe2D_Q_VSA_FPNEG":0.05382,"moe2D_Q_VSA_FPOL":0.1254,"moe2D_Q_VSA_FPOS":0.2815,"moe2D_Q_VSA_FPPOS":0.07154,"moe2D_Q_VSA_HYD":126.2,"moe2D_Q_VSA_NEG":103.7,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":40.62,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.813,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":12.24,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":2.699,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":7.001,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":83.54,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.037,"moe2D_VDistMa":6.021,"moe2D_Weight":163,"moe2D_a_IC":22.6,"moe2D_a_ICM":1.738,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":18.39,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.409,"moe2D_bpol":5.213,"moe2D_chi0":6.853,"moe2D_chi0_C":3.853,"moe2D_chi0v":5.947,"moe2D_chi0v_C":3.232,"moe2D_chi1":4.198,"moe2D_chi1_C":2.466,"moe2D_chi1v":3.096,"moe2D_chi1v_C":1.738,"moeGao_chi2_C":1.573,"moeGao_chi2v_C":0.933,"moeGao_chi3c":0.7601,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.4172,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.86,"moeGao_chi3p_C":1.007,"moeGao_chi3pv":1.448,"moeGao_chi3pv_C":0.5017,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.817,"moeGao_chi4ca_C":0.6422,"moeGao_chi4cav":0.8898,"moeGao_chi4cav_C":0.2693,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.478,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.6008,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9628,"moe2D_diameter":5,"moe2D_kS_aaCH":4.506,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.8058,"moe2D_kS_aasC":0.05654,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":11,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.853,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.817,"moe2D_logS":-2.492,"moe2D_mr":3.824,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":144.3,"moe2D_vdw_vol":169.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":124.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":84,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"24-dichlorotoluene","moeGao_Abra_L":5.042,"moeGao_Abra_R":0.934,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.076,"moeGao_Abra_pi":0.781,"moe2D_BCUT_PEOE_0":-2.259,"moe2D_BCUT_PEOE_1":-0.5911,"moe2D_BCUT_PEOE_2":0.5957,"moe2D_BCUT_PEOE_3":2.231,"moe2D_BCUT_SLOGP_0":-2.096,"moe2D_BCUT_SLOGP_1":-0.3051,"moe2D_BCUT_SLOGP_2":0.889,"moe2D_BCUT_SLOGP_3":2.417,"moe2D_BCUT_SMR_0":-1.972,"moe2D_BCUT_SMR_1":-0.2969,"moe2D_BCUT_SMR_2":0.9046,"moe2D_BCUT_SMR_3":2.542,"moe2D_GCUT_PEOE_0":-0.7451,"moe2D_GCUT_PEOE_1":-0.3818,"moe2D_GCUT_PEOE_2":0.03129,"moe2D_GCUT_PEOE_3":1.969,"moe2D_GCUT_SLOGP_0":-0.6007,"moe2D_GCUT_SLOGP_1":-0.1322,"moe2D_GCUT_SLOGP_2":0.3316,"moe2D_GCUT_SLOGP_3":2.185,"moe2D_GCUT_SMR_0":-0.4786,"moe2D_GCUT_SMR_1":-0.09821,"moe2D_GCUT_SMR_2":0.3457,"moe2D_GCUT_SMR_3":2.289,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.704,"moe2D_KierA1":7.455,"moe2D_KierA2":2.872,"moe2D_KierA3":1.809,"moe2D_KierFlex":2.379,"moe2D_PEOE_PC.":0.361,"moe2D_PEOE_PC..1":-0.361,"moe2D_PEOE_RPC.":0.1791,"moe2D_PEOE_RPC..1":0.2313,"moe2D_PEOE_VSA.0":21.84,"moe2D_PEOE_VSA.1":12.8,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":45.47,"moe2D_PEOE_VSA.1.1":71.42,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7714,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2286,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":151.5,"moe2D_PEOE_VSA_NEG":116.9,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":34.63,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.9475,"moe2D_Q_PC..1":-0.9475,"moe2D_Q_RPC.":0.1868,"moe2D_Q_RPC..1":0.1868,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.6477,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.3523,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":151.5,"moe2D_Q_VSA_NEG":98.14,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":53.38,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.12,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.19,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":111.6,"moe2D_SlogP":3.302,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":7.001,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":111.6,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.037,"moe2D_VDistMa":6.021,"moe2D_Weight":161,"moe2D_a_IC":21.44,"moe2D_a_ICM":1.429,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":15,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":20.68,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":2.409,"moe2D_bpol":7.399,"moe2D_chi0":6.853,"moe2D_chi0_C":4.853,"moe2D_chi0v":6.5,"moe2D_chi0v_C":4.232,"moe2D_chi1":4.198,"moe2D_chi1_C":3.044,"moe2D_chi1v":3.372,"moe2D_chi1v_C":2.238,"moeGao_chi2_C":2.315,"moeGao_chi2v_C":1.472,"moeGao_chi3c":0.7601,"moeGao_chi3c_C":0.2357,"moeGao_chi3cv":0.497,"moeGao_chi3cv_C":0.1443,"moeGao_chi3p":2.86,"moeGao_chi3p_C":1.531,"moeGao_chi3pv":1.776,"moeGao_chi3pv_C":0.8127,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.817,"moeGao_chi4ca_C":0.945,"moeGao_chi4cav":0.9757,"moeGao_chi4cav_C":0.4248,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.478,"moeGao_chi4pc_C":0.3333,"moeGao_chi4pcv":0.8739,"moeGao_chi4pcv_C":0.1667,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8694,"moe2D_diameter":5,"moe2D_kS_aaCH":5.45,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.41,"moe2D_kS_aasC":1.057,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.943,"moe2D_kS_sCl":11.36,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.423,"moe2D_logS":-3.014,"moe2D_mr":4.123,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":151.5,"moe2D_vdw_vol":185.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":147.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":84,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"24-dimethoxybenzaldehyde","moeGao_Abra_L":4.989,"moeGao_Abra_R":0.811,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.428,"moeGao_Abra_pi":0.962,"moe2D_BCUT_PEOE_0":-2.285,"moe2D_BCUT_PEOE_1":-0.5569,"moe2D_BCUT_PEOE_2":0.449,"moe2D_BCUT_PEOE_3":2.252,"moe2D_BCUT_SLOGP_0":-2.274,"moe2D_BCUT_SLOGP_1":-0.5082,"moe2D_BCUT_SLOGP_2":0.5684,"moe2D_BCUT_SLOGP_3":2.403,"moe2D_BCUT_SMR_0":-1.999,"moe2D_BCUT_SMR_1":-0.3249,"moe2D_BCUT_SMR_2":0.6625,"moe2D_BCUT_SMR_3":2.548,"moe2D_GCUT_PEOE_0":-0.7916,"moe2D_GCUT_PEOE_1":-0.4471,"moe2D_GCUT_PEOE_2":-0.05851,"moe2D_GCUT_PEOE_3":2.131,"moe2D_GCUT_SLOGP_0":-0.8903,"moe2D_GCUT_SLOGP_1":-0.3386,"moe2D_GCUT_SLOGP_2":0.1082,"moe2D_GCUT_SLOGP_3":2.276,"moe2D_GCUT_SMR_0":-0.4871,"moe2D_GCUT_SMR_1":-0.1961,"moe2D_GCUT_SMR_2":0.1147,"moe2D_GCUT_SMR_3":2.413,"moe2D_Kier1":10.08,"moe2D_Kier2":4.889,"moe2D_Kier3":2.493,"moe2D_KierA1":7.462,"moe2D_KierA2":3.508,"moe2D_KierA3":1.746,"moe2D_KierFlex":2.182,"moe2D_PEOE_PC.":1.069,"moe2D_PEOE_PC..1":-1.069,"moe2D_PEOE_RPC.":0.1428,"moe2D_PEOE_RPC..1":0.3254,"moe2D_PEOE_VSA.0":52.2,"moe2D_PEOE_VSA.1":55.31,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.8999,"moe2D_PEOE_VSA_FNEG":0.2981,"moe2D_PEOE_VSA_FPNEG":0.1001,"moe2D_PEOE_VSA_FPOL":0.1001,"moe2D_PEOE_VSA_FPOS":0.7019,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":167,"moe2D_PEOE_VSA_NEG":55.34,"moe2D_PEOE_VSA_PNEG":18.57,"moe2D_PEOE_VSA_POL":18.57,"moe2D_PEOE_VSA_POS":130.3,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.745,"moe2D_Q_PC..1":-1.745,"moe2D_Q_RPC.":0.2429,"moe2D_Q_RPC..1":0.3266,"moe2D_Q_VSA_FHYD":0.5309,"moe2D_Q_VSA_FNEG":0.2981,"moe2D_Q_VSA_FPNEG":0.1001,"moe2D_Q_VSA_FPOL":0.4691,"moe2D_Q_VSA_FPOS":0.7019,"moe2D_Q_VSA_FPPOS":0.369,"moe2D_Q_VSA_HYD":98.54,"moe2D_Q_VSA_NEG":55.34,"moe2D_Q_VSA_PNEG":18.57,"moe2D_Q_VSA_POL":87.07,"moe2D_Q_VSA_POS":130.3,"moe2D_Q_VSA_PPOS":68.5,"moe2D_SMR":4.493,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":22,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":13.67,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":90.91,"moe2D_SlogP":1.516,"moe2D_SlogP_VSA0":22,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":70.77,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":10.49,"moe2D_TPSA":35.53,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.513,"moe2D_VDistMa":6.864,"moe2D_Weight":166.2,"moe2D_a_IC":31.6,"moe2D_a_ICM":1.437,"moe2D_a_acc":3,"moe2D_a_aro":6,"moe2D_a_count":22,"moe2D_a_don":0,"moe2D_a_heavy":12,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":3,"moe2D_apol":24.91,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.25,"moe2D_b_ar":6,"moe2D_b_count":22,"moe2D_b_double":1,"moe2D_b_heavy":12,"moe2D_b_rotN":3,"moe2D_b_rotR":0.25,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.448,"moe2D_bpol":15.72,"moe2D_chi0":8.975,"moe2D_chi0_C":6.56,"moe2D_chi0v":7.034,"moe2D_chi0v_C":5.809,"moe2D_chi1":5.812,"moe2D_chi1_C":2.875,"moe2D_chi1v":3.487,"moe2D_chi1v_C":2.027,"moeGao_chi2_C":2.098,"moeGao_chi2v_C":1.244,"moeGao_chi3c":0.5375,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.2103,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":3.875,"moeGao_chi3p_C":1.378,"moeGao_chi3pv":1.568,"moeGao_chi3pv_C":0.6813,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.832,"moeGao_chi4ca_C":0.8563,"moeGao_chi4cav":0.9158,"moeGao_chi4cav_C":0.3591,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.485,"moeGao_chi4pc_C":0.2357,"moeGao_chi4pcv":0.462,"moeGao_chi4pcv_C":0.09623,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7397,"moe2D_diameter":7,"moe2D_kS_aaCH":5.042,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.736,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.47,"moe2D_kS_dsCH":0.7483,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.08,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":9.928,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.78,"moe2D_logS":-1.492,"moe2D_mr":4.6,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":185.6,"moe2D_vdw_vol":224.7,"moe2D_vsa_acc":18.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":137.9,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":18.57,"moe2D_weinerPath":198,"moe2D_weinerPol":16,"moe2D_zagreb":54}
{"Molecule":"24-dimethyl-3-pentanol","moeGao_Abra_L":3.583,"moeGao_Abra_R":0.16,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.439,"moeGao_Abra_pi":0.332,"moe2D_BCUT_PEOE_0":-2.715,"moe2D_BCUT_PEOE_1":-0.1146,"moe2D_BCUT_PEOE_2":0.1793,"moe2D_BCUT_PEOE_3":2.677,"moe2D_BCUT_SLOGP_0":-2.699,"moe2D_BCUT_SLOGP_1":-0.0468,"moe2D_BCUT_SLOGP_2":0.2325,"moe2D_BCUT_SLOGP_3":2.719,"moe2D_BCUT_SMR_0":-2.475,"moe2D_BCUT_SMR_1":-0.0326,"moe2D_BCUT_SMR_2":0.26,"moe2D_BCUT_SMR_3":2.915,"moe2D_GCUT_PEOE_0":-0.8027,"moe2D_GCUT_PEOE_1":-0.1889,"moe2D_GCUT_PEOE_2":-0.07885,"moe2D_GCUT_PEOE_3":2.379,"moe2D_GCUT_SLOGP_0":-0.8878,"moe2D_GCUT_SLOGP_1":-0.1185,"moe2D_GCUT_SLOGP_2":-0.0275,"moe2D_GCUT_SLOGP_3":2.438,"moe2D_GCUT_SMR_0":-0.5332,"moe2D_GCUT_SMR_1":-0.09691,"moe2D_GCUT_SMR_2":0.00027,"moe2D_GCUT_SMR_3":2.586,"moe2D_Kier1":8,"moe2D_Kier2":3.111,"moe2D_Kier3":2.812,"moe2D_KierA1":8,"moe2D_KierA2":3.111,"moe2D_KierA3":2.812,"moe2D_KierFlex":3.111,"moe2D_PEOE_PC.":0.6733,"moe2D_PEOE_PC..1":-0.6733,"moe2D_PEOE_RPC.":0.3116,"moe2D_PEOE_RPC..1":0.5811,"moe2D_PEOE_VSA.0":59.72,"moe2D_PEOE_VSA.1":9.17,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":74.99,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8883,"moe2D_PEOE_VSA_FNEG":0.511,"moe2D_PEOE_VSA_FPNEG":0.04796,"moe2D_PEOE_VSA_FPOL":0.1117,"moe2D_PEOE_VSA_FPOS":0.489,"moe2D_PEOE_VSA_FPPOS":0.06374,"moe2D_PEOE_VSA_HYD":143.9,"moe2D_PEOE_VSA_NEG":82.76,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":79.21,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.858,"moe2D_Q_VSA_FNEG":0.04796,"moe2D_Q_VSA_FPNEG":0.04796,"moe2D_Q_VSA_FPOL":0.142,"moe2D_Q_VSA_FPOS":0.952,"moe2D_Q_VSA_FPPOS":0.09403,"moe2D_Q_VSA_HYD":139,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":23,"moe2D_Q_VSA_POS":154.2,"moe2D_Q_VSA_PPOS":15.23,"moe2D_SMR":3.568,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":8.822,"moe2D_SMR_VSA3":6.469,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":133.3,"moe2D_SlogP":1.659,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":6.469,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":8.822,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":133.3,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.944,"moe2D_VDistMa":5.668,"moe2D_Weight":116.2,"moe2D_a_IC":26.39,"moe2D_a_ICM":1.099,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":24,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":16,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":23.79,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.2857,"moe2D_b_ar":0,"moe2D_b_count":23,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":2,"moe2D_b_rotR":0.2857,"moe2D_b_single":23,"moe2D_b_triple":0,"moe2D_balabanJ":3.464,"moe2D_bpol":17.49,"moe2D_chi0":6.732,"moe2D_chi0_C":5.732,"moe2D_chi0v":6.179,"moe2D_chi0v_C":5.732,"moe2D_chi1":3.553,"moe2D_chi1_C":2.976,"moe2D_chi1v":3.234,"moe2D_chi1v_C":2.976,"moeGao_chi2_C":2.68,"moeGao_chi2v_C":2.68,"moeGao_chi3c":0.8591,"moeGao_chi3c_C":0.6667,"moeGao_chi3cv":0.7527,"moeGao_chi3cv_C":0.6667,"moeGao_chi3p":2.103,"moeGao_chi3p_C":0.7698,"moeGao_chi3pv":1.366,"moeGao_chi3pv_C":0.7698,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.7698,"moeGao_chi4ca_C":0.7698,"moeGao_chi4cav":0.7698,"moeGao_chi4cav_C":0.7698,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.821,"moeGao_chi4pc_C":0.3849,"moeGao_chi4pcv":1.027,"moeGao_chi4pcv_C":0.3849,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6008,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":8.13,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.204,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.6667,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.343,"moe2D_logS":-0.8495,"moe2D_mr":3.56,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":162,"moe2D_vdw_vol":193.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":130.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":65,"moe2D_weinerPol":8,"moe2D_zagreb":32}
{"Molecule":"24-hexadiene(cistrans-hexa-24-diene)","moeGao_Abra_L":2.648,"moeGao_Abra_R":0.312,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.129,"moeGao_Abra_pi":0.327,"moe2D_BCUT_PEOE_0":-2.266,"moe2D_BCUT_PEOE_1":-0.4876,"moe2D_BCUT_PEOE_2":0.5518,"moe2D_BCUT_PEOE_3":2.191,"moe2D_BCUT_SLOGP_0":-2.084,"moe2D_BCUT_SLOGP_1":-0.3889,"moe2D_BCUT_SLOGP_2":0.6483,"moe2D_BCUT_SLOGP_3":2.371,"moe2D_BCUT_SMR_0":-1.98,"moe2D_BCUT_SMR_1":-0.3654,"moe2D_BCUT_SMR_2":0.6795,"moe2D_BCUT_SMR_3":2.489,"moe2D_GCUT_PEOE_0":-0.7753,"moe2D_GCUT_PEOE_1":-0.3189,"moe2D_GCUT_PEOE_2":0.05047,"moe2D_GCUT_PEOE_3":1.83,"moe2D_GCUT_SLOGP_0":-0.5737,"moe2D_GCUT_SLOGP_1":-0.2052,"moe2D_GCUT_SLOGP_2":0.1311,"moe2D_GCUT_SLOGP_3":1.999,"moe2D_GCUT_SMR_0":-0.481,"moe2D_GCUT_SMR_1":-0.1677,"moe2D_GCUT_SMR_2":0.1499,"moe2D_GCUT_SMR_3":2.11,"moe2D_Kier1":6,"moe2D_Kier2":5,"moe2D_Kier3":5.333,"moe2D_KierA1":4.399,"moe2D_KierA2":3.391,"moe2D_KierA3":3.337,"moe2D_KierFlex":2.486,"moe2D_PEOE_PC.":0.3998,"moe2D_PEOE_PC..1":-0.3998,"moe2D_PEOE_RPC.":0.1537,"moe2D_PEOE_RPC..1":0.2179,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":49.02,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6698,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3302,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":129.2,"moe2D_PEOE_VSA_NEG":86.51,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":42.65,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.8764,"moe2D_Q_PC..1":-0.8764,"moe2D_Q_RPC.":0.1712,"moe2D_Q_RPC..1":0.3288,"moe2D_Q_VSA_FHYD":0.8102,"moe2D_Q_VSA_FNEG":0.3795,"moe2D_Q_VSA_FPNEG":0.1898,"moe2D_Q_VSA_FPOL":0.1898,"moe2D_Q_VSA_FPOS":0.6205,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":104.7,"moe2D_Q_VSA_NEG":49.02,"moe2D_Q_VSA_PNEG":24.51,"moe2D_Q_VSA_POL":24.51,"moe2D_Q_VSA_POS":80.15,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":2.963,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.139,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":2.149,"moe2D_VDistMa":4.704,"moe2D_Weight":82.15,"moe2D_a_IC":15.27,"moe2D_a_ICM":0.9544,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":17.23,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.2,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":2,"moe2D_b_heavy":5,"moe2D_b_rotN":1,"moe2D_b_rotR":0.2,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.444,"moe2D_bpol":10.93,"moe2D_chi0":4.828,"moe2D_chi0_C":4.828,"moe2D_chi0v":4.309,"moe2D_chi0v_C":4.309,"moe2D_chi1":2.914,"moe2D_chi1_C":2.914,"moe2D_chi1v":2.155,"moe2D_chi1v_C":2.155,"moeGao_chi2_C":1.707,"moeGao_chi2v_C":1.052,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.9571,"moeGao_chi3p_C":0.9571,"moeGao_chi3pv":0.496,"moeGao_chi3pv_C":0.496,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.5,"moeGao_chi4ca_C":0.5,"moeGao_chi4cav":0.2222,"moeGao_chi4cav_C":0.2222,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5525,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":8,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.855,"moe2D_logS":-2.498,"moe2D_mr":2.937,"moe2D_opr_brigid":2,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":129.2,"moe2D_vdw_vol":148.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":122.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":35,"moe2D_weinerPol":3,"moe2D_zagreb":18}
{"Molecule":"24-xylenol(24-dimethylphenol)","moeGao_Abra_L":4.723,"moeGao_Abra_R":0.845,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.425,"moeGao_Abra_pi":0.827,"moe2D_BCUT_PEOE_0":-2.332,"moe2D_BCUT_PEOE_1":-0.2873,"moe2D_BCUT_PEOE_2":0.4022,"moe2D_BCUT_PEOE_3":2.285,"moe2D_BCUT_SLOGP_0":-2.17,"moe2D_BCUT_SLOGP_1":-0.2106,"moe2D_BCUT_SLOGP_2":0.398,"moe2D_BCUT_SLOGP_3":2.462,"moe2D_BCUT_SMR_0":-2.041,"moe2D_BCUT_SMR_1":-0.1208,"moe2D_BCUT_SMR_2":0.5472,"moe2D_BCUT_SMR_3":2.586,"moe2D_GCUT_PEOE_0":-0.765,"moe2D_GCUT_PEOE_1":-0.313,"moe2D_GCUT_PEOE_2":-0.02036,"moe2D_GCUT_PEOE_3":2.112,"moe2D_GCUT_SLOGP_0":-0.7619,"moe2D_GCUT_SLOGP_1":-0.1907,"moe2D_GCUT_SLOGP_2":-0.03094,"moe2D_GCUT_SLOGP_3":2.287,"moe2D_GCUT_SMR_0":-0.4844,"moe2D_GCUT_SMR_1":-0.1258,"moe2D_GCUT_SMR_2":0.107,"moe2D_GCUT_SMR_3":2.399,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.704,"moe2D_KierA1":5.29,"moe2D_KierA2":1.94,"moe2D_KierA3":1.164,"moe2D_KierFlex":1.14,"moe2D_PEOE_PC.":0.6484,"moe2D_PEOE_PC..1":-0.6484,"moe2D_PEOE_RPC.":0.3352,"moe2D_PEOE_RPC..1":0.5546,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":21.25,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":51.96,"moe2D_PEOE_VSA.1.1":26.72,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.874,"moe2D_PEOE_VSA_FNEG":0.6019,"moe2D_PEOE_VSA_FPNEG":0.05409,"moe2D_PEOE_VSA_FPOL":0.126,"moe2D_PEOE_VSA_FPOS":0.3981,"moe2D_PEOE_VSA_FPPOS":0.07189,"moe2D_PEOE_VSA_HYD":125.5,"moe2D_PEOE_VSA_NEG":86.44,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":57.17,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.269,"moe2D_Q_PC..1":-1.269,"moe2D_Q_RPC.":0.3545,"moe2D_Q_RPC..1":0.4195,"moe2D_Q_VSA_FHYD":0.874,"moe2D_Q_VSA_FNEG":0.3408,"moe2D_Q_VSA_FPNEG":0.05409,"moe2D_Q_VSA_FPOL":0.126,"moe2D_Q_VSA_FPOS":0.6592,"moe2D_Q_VSA_FPPOS":0.07189,"moe2D_Q_VSA_HYD":125.5,"moe2D_Q_VSA_NEG":48.95,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":94.67,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.758,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":11.61,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.009,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":71.9,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.037,"moe2D_VDistMa":6.021,"moe2D_Weight":122.2,"moe2D_a_IC":23.49,"moe2D_a_ICM":1.236,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":21.55,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":19,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.409,"moe2D_bpol":10.93,"moe2D_chi0":6.853,"moe2D_chi0_C":5.853,"moe2D_chi0v":5.679,"moe2D_chi0v_C":5.232,"moe2D_chi1":4.198,"moe2D_chi1_C":3.621,"moe2D_chi1v":2.962,"moe2D_chi1v_C":2.738,"moeGao_chi2_C":3.131,"moeGao_chi2v_C":2.049,"moeGao_chi3c":0.7601,"moeGao_chi3c_C":0.5244,"moeGao_chi3cv":0.3756,"moeGao_chi3cv_C":0.311,"moeGao_chi3p":2.86,"moeGao_chi3p_C":2.003,"moeGao_chi3pv":1.352,"moeGao_chi3pv_C":1.101,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.817,"moeGao_chi4ca_C":1.514,"moeGao_chi4cav":0.8054,"moeGao_chi4cav_C":0.7358,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.478,"moeGao_chi4pc_C":0.6735,"moeGao_chi4pcv":0.5387,"moeGao_chi4pcv_C":0.3351,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6559,"moe2D_diameter":5,"moe2D_kS_aaCH":5.558,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.501,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.898,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.044,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.229,"moe2D_logS":-1.657,"moe2D_mr":3.793,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":143.6,"moe2D_vdw_vol":186.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":119.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":84,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"25-dimethyl-24-hexadiene","moeGao_Abra_L":3.6,"moeGao_Abra_R":0.328,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.121,"moeGao_Abra_pi":0.279,"moe2D_BCUT_PEOE_0":-2.4,"moe2D_BCUT_PEOE_1":-0.01102,"moe2D_BCUT_PEOE_2":0.02744,"moe2D_BCUT_PEOE_3":2.327,"moe2D_BCUT_SLOGP_0":-2.219,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.1378,"moe2D_BCUT_SLOGP_3":2.506,"moe2D_BCUT_SMR_0":-2.114,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.2164,"moe2D_BCUT_SMR_3":2.621,"moe2D_GCUT_PEOE_0":-0.7823,"moe2D_GCUT_PEOE_1":-0.2095,"moe2D_GCUT_PEOE_2":-0.1326,"moe2D_GCUT_PEOE_3":2.086,"moe2D_GCUT_SLOGP_0":-0.5858,"moe2D_GCUT_SLOGP_1":-0.07794,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.253,"moe2D_GCUT_SMR_0":-0.4862,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.01739,"moe2D_GCUT_SMR_3":2.357,"moe2D_Kier1":8,"moe2D_Kier2":3.938,"moe2D_Kier3":7.2,"moe2D_KierA1":6.41,"moe2D_KierA2":3.041,"moe2D_KierA3":5.381,"moe2D_KierFlex":2.436,"moe2D_PEOE_PC.":0.4526,"moe2D_PEOE_PC..1":-0.4526,"moe2D_PEOE_RPC.":0.1363,"moe2D_PEOE_RPC..1":0.1673,"moe2D_PEOE_VSA.0":51.18,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":74.99,"moe2D_PEOE_VSA.1.1":28.93,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6351,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3649,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":163.6,"moe2D_PEOE_VSA_NEG":103.9,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":59.72,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.8528,"moe2D_Q_PC..1":-0.8528,"moe2D_Q_RPC.":0.1759,"moe2D_Q_RPC..1":0.3241,"moe2D_Q_VSA_FHYD":0.973,"moe2D_Q_VSA_FNEG":0.1768,"moe2D_Q_VSA_FPNEG":0.02699,"moe2D_Q_VSA_FPOL":0.02699,"moe2D_Q_VSA_FPOS":0.8232,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":159.2,"moe2D_Q_VSA_NEG":28.93,"moe2D_Q_VSA_PNEG":4.417,"moe2D_Q_VSA_POL":4.417,"moe2D_Q_VSA_POS":134.7,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.886,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":133.3,"moe2D_SlogP":2.919,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":6.371,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":133.3,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":2.262,"moe2D_VDistMa":5.612,"moe2D_Weight":110.2,"moe2D_a_IC":20.8,"moe2D_a_ICM":0.9457,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":22,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":23.42,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1429,"moe2D_b_ar":0,"moe2D_b_count":21,"moe2D_b_double":2,"moe2D_b_heavy":7,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1429,"moe2D_b_single":19,"moe2D_b_triple":0,"moe2D_balabanJ":3.003,"moe2D_bpol":15.3,"moe2D_chi0":6.569,"moe2D_chi0_C":6.569,"moe2D_chi0v":6.155,"moe2D_chi0v_C":6.155,"moe2D_chi1":3.626,"moe2D_chi1_C":3.626,"moe2D_chi1v":2.911,"moe2D_chi1v_C":2.911,"moeGao_chi2_C":3.365,"moeGao_chi2v_C":2.488,"moeGao_chi3c":0.8165,"moeGao_chi3c_C":0.8165,"moeGao_chi3cv":0.5774,"moeGao_chi3cv_C":0.5774,"moeGao_chi3p":1.321,"moeGao_chi3p_C":1.321,"moeGao_chi3pv":0.75,"moeGao_chi3pv_C":0.75,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6667,"moeGao_chi4ca_C":0.6667,"moeGao_chi4cav":0.3333,"moeGao_chi4cav_C":0.3333,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.5774,"moeGao_chi4pc_C":0.5774,"moeGao_chi4pcv":0.3333,"moeGao_chi4pcv_C":0.3333,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5579,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":4.241,"moe2D_kS_dsN":0,"moe2D_kS_dssC":2.706,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":8.387,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.285,"moe2D_logS":-3.158,"moe2D_mr":3.793,"moe2D_opr_brigid":2,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":163.6,"moe2D_vdw_vol":197.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":153.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":74,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"26-di-tert-butyl-4-methylphenol(butylated","moeGao_Abra_L":7.369,"moeGao_Abra_R":0.811,"moeGao_Abra_acidity":0.411,"moeGao_Abra_basicity":0.523,"moeGao_Abra_pi":0.645,"moe2D_BCUT_PEOE_0":-2.656,"moe2D_BCUT_PEOE_1":0.0238,"moe2D_BCUT_PEOE_2":0.02775,"moe2D_BCUT_PEOE_3":2.611,"moe2D_BCUT_SLOGP_0":-2.557,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.723,"moe2D_BCUT_SMR_0":-2.392,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1981,"moe2D_BCUT_SMR_3":2.883,"moe2D_GCUT_PEOE_0":-0.7938,"moe2D_GCUT_PEOE_1":-0.186,"moe2D_GCUT_PEOE_2":-0.1322,"moe2D_GCUT_PEOE_3":2.719,"moe2D_GCUT_SLOGP_0":-0.7635,"moe2D_GCUT_SLOGP_1":-0.09002,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.855,"moe2D_GCUT_SMR_0":-0.5264,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.05016,"moe2D_GCUT_SMR_3":2.978,"moe2D_Kier1":14.06,"moe2D_Kier2":4.349,"moe2D_Kier3":3.25,"moe2D_KierA1":12.02,"moe2D_KierA2":3.676,"moe2D_KierA3":2.724,"moe2D_KierFlex":2.762,"moe2D_PEOE_PC.":0.9338,"moe2D_PEOE_PC..1":-0.9338,"moe2D_PEOE_RPC.":0.2327,"moe2D_PEOE_RPC..1":0.3847,"moe2D_PEOE_VSA.0":89.57,"moe2D_PEOE_VSA.1":16.99,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":25.37,"moe2D_PEOE_VSA.1.1":137,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.937,"moe2D_PEOE_VSA_FNEG":0.5928,"moe2D_PEOE_VSA_FPNEG":0.02706,"moe2D_PEOE_VSA_FPOL":0.06303,"moe2D_PEOE_VSA_FPOS":0.4072,"moe2D_PEOE_VSA_FPPOS":0.03597,"moe2D_PEOE_VSA_HYD":268.9,"moe2D_PEOE_VSA_NEG":170.1,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":116.9,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.263,"moe2D_Q_PC..1":-1.263,"moe2D_Q_RPC.":0.3563,"moe2D_Q_RPC..1":0.4216,"moe2D_Q_VSA_FHYD":0.937,"moe2D_Q_VSA_FNEG":0.1355,"moe2D_Q_VSA_FPNEG":0.02706,"moe2D_Q_VSA_FPOL":0.06303,"moe2D_Q_VSA_FPOS":0.8645,"moe2D_Q_VSA_FPPOS":0.03597,"moe2D_Q_VSA_HYD":268.9,"moe2D_Q_VSA_NEG":38.9,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":248.1,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":7.024,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":14.8,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":233.3,"moe2D_SlogP":4.296,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":9.557,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":238.5,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.5436,"moe2D_VAdjMa":5,"moe2D_VDistEq":2.51,"moe2D_VDistMa":7.75,"moe2D_Weight":220.4,"moe2D_a_IC":44.23,"moe2D_a_ICM":1.106,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":40,"moe2D_a_don":1,"moe2D_a_heavy":16,"moe2D_a_hyd":15,"moe2D_a_nBr":0,"moe2D_a_nC":15,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":24,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":43.21,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":40,"moe2D_b_double":0,"moe2D_b_heavy":16,"moe2D_b_rotN":2,"moe2D_b_rotR":0.125,"moe2D_b_single":34,"moe2D_b_triple":0,"moe2D_balabanJ":2.93,"moe2D_bpol":26.24,"moe2D_chi0":12.72,"moe2D_chi0_C":11.72,"moe2D_chi0v":11.6,"moe2D_chi0v_C":11.15,"moe2D_chi1":7.032,"moe2D_chi1_C":6.454,"moe2D_chi1v":5.878,"moe2D_chi1v_C":5.655,"moeGao_chi2_C":7.714,"moeGao_chi2v_C":6.485,"moeGao_chi3c":3.449,"moeGao_chi3c_C":3.256,"moeGao_chi3cv":2.867,"moeGao_chi3cv_C":2.811,"moeGao_chi3p":4.807,"moeGao_chi3p_C":4.002,"moeGao_chi3pv":2.87,"moeGao_chi3pv_C":2.629,"moeGao_chi4c":0.5774,"moeGao_chi4c_C":0.5774,"moeGao_chi4ca":3.957,"moeGao_chi4ca_C":2.685,"moeGao_chi4cav":1.922,"moeGao_chi4cav_C":1.522,"moeGao_chi4cv":0.5,"moeGao_chi4cv_C":0.5,"moeGao_chi4pc":4.238,"moeGao_chi4pc_C":3.537,"moeGao_chi4pcv":2.545,"moeGao_chi4pcv_C":2.36,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6168,"moe2D_diameter":6,"moe2D_kS_aaCH":4.176,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":3.757,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":14.88,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":10.38,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-0.03551,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.964,"moe2D_logS":-4.909,"moe2D_mr":6.866,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":287,"moe2D_vdw_vol":357.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":252.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":392,"moe2D_weinerPol":25,"moe2D_zagreb":84}
{"Molecule":"26-diisopropylaniline(benzenamine26-bis(1-methylethyl)-)","moeGao_Abra_L":6.64,"moeGao_Abra_R":0.917,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.429,"moeGao_Abra_pi":0.885,"moe2D_BCUT_PEOE_0":-2.575,"moe2D_BCUT_PEOE_1":-0.2773,"moe2D_BCUT_PEOE_2":0.3701,"moe2D_BCUT_PEOE_3":2.521,"moe2D_BCUT_SLOGP_0":-2.455,"moe2D_BCUT_SLOGP_1":-0.1419,"moe2D_BCUT_SLOGP_2":0.4963,"moe2D_BCUT_SLOGP_3":2.685,"moe2D_BCUT_SMR_0":-2.303,"moe2D_BCUT_SMR_1":-0.14,"moe2D_BCUT_SMR_2":0.503,"moe2D_BCUT_SMR_3":2.804,"moe2D_GCUT_PEOE_0":-0.8108,"moe2D_GCUT_PEOE_1":-0.2887,"moe2D_GCUT_PEOE_2":-0.00604,"moe2D_GCUT_PEOE_3":2.504,"moe2D_GCUT_SLOGP_0":-1.335,"moe2D_GCUT_SLOGP_1":-0.154,"moe2D_GCUT_SLOGP_2":0.111,"moe2D_GCUT_SLOGP_3":2.66,"moe2D_GCUT_SMR_0":-0.5222,"moe2D_GCUT_SMR_1":-0.1243,"moe2D_GCUT_SMR_2":0.08543,"moe2D_GCUT_SMR_3":2.78,"moe2D_Kier1":11.08,"moe2D_Kier2":4.481,"moe2D_Kier3":2.479,"moe2D_KierA1":8.706,"moe2D_KierA2":3.445,"moe2D_KierA3":1.87,"moe2D_KierFlex":2.307,"moe2D_PEOE_PC.":0.805,"moe2D_PEOE_PC..1":-0.805,"moe2D_PEOE_RPC.":0.154,"moe2D_PEOE_RPC..1":0.3749,"moe2D_PEOE_VSA.0":66.41,"moe2D_PEOE_VSA.1":12.8,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":4.417,"moe2D_PEOE_VSA.1.1":111.8,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9697,"moe2D_PEOE_VSA_FNEG":0.5601,"moe2D_PEOE_VSA_FPNEG":0.03033,"moe2D_PEOE_VSA_FPOL":0.03033,"moe2D_PEOE_VSA_FPOS":0.4399,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":212.6,"moe2D_PEOE_VSA_NEG":122.8,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":96.45,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.637,"moe2D_Q_PC..1":-1.637,"moe2D_Q_RPC.":0.2443,"moe2D_Q_RPC..1":0.5498,"moe2D_Q_VSA_FHYD":0.8911,"moe2D_Q_VSA_FNEG":0.2181,"moe2D_Q_VSA_FPNEG":0.03033,"moe2D_Q_VSA_FPOL":0.1089,"moe2D_Q_VSA_FPOS":0.7819,"moe2D_Q_VSA_FPPOS":0.07861,"moe2D_Q_VSA_HYD":195.4,"moe2D_Q_VSA_NEG":47.83,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":171.4,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":5.903,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":15.19,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":85.83,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":133.3,"moe2D_SlogP":3.516,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":8.822,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":136.1,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.6194,"moe2D_VAdjMa":4.7,"moe2D_VDistEq":2.441,"moe2D_VDistMa":7.121,"moe2D_Weight":177.3,"moe2D_a_IC":36.27,"moe2D_a_ICM":1.133,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":32,"moe2D_a_don":1,"moe2D_a_heavy":13,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":19,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":34.89,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1538,"moe2D_b_ar":6,"moe2D_b_count":32,"moe2D_b_double":0,"moe2D_b_heavy":13,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1538,"moe2D_b_single":26,"moe2D_b_triple":0,"moe2D_balabanJ":2.628,"moe2D_bpol":20.11,"moe2D_chi0":10.01,"moe2D_chi0_C":9.008,"moe2D_chi0v":8.964,"moe2D_chi0v_C":8.387,"moe2D_chi1":6.037,"moe2D_chi1_C":5.459,"moe2D_chi1v":4.919,"moe2D_chi1v_C":4.631,"moeGao_chi2_C":4.939,"moeGao_chi2v_C":3.871,"moeGao_chi3c":1.131,"moeGao_chi3c_C":0.9388,"moeGao_chi3cv":0.8162,"moeGao_chi3cv_C":0.744,"moeGao_chi3p":4.138,"moeGao_chi3p_C":3.282,"moeGao_chi3pv":2.418,"moeGao_chi3pv_C":2.084,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.313,"moeGao_chi4ca_C":2.21,"moeGao_chi4cav":1.609,"moeGao_chi4cav_C":1.179,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.517,"moeGao_chi4pc_C":1.75,"moeGao_chi4pcv":1.398,"moeGao_chi4pcv_C":1.135,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6111,"moe2D_diameter":6,"moe2D_kS_aaCH":6.332,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":3.518,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":8.706,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":6.085,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":1.025,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.516,"moe2D_logS":-3.488,"moe2D_mr":5.717,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":219.3,"moe2D_vdw_vol":290.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":180.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":234,"moe2D_weinerPol":19,"moe2D_zagreb":62}
{"Molecule":"26-dimethoxytoluene","moeGao_Abra_L":4.346,"moeGao_Abra_R":0.68,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.09,"moeGao_Abra_pi":0.467,"moe2D_BCUT_PEOE_0":-2.342,"moe2D_BCUT_PEOE_1":-0.3893,"moe2D_BCUT_PEOE_2":0.3856,"moe2D_BCUT_PEOE_3":2.301,"moe2D_BCUT_SLOGP_0":-2.287,"moe2D_BCUT_SLOGP_1":-0.316,"moe2D_BCUT_SLOGP_2":0.4901,"moe2D_BCUT_SLOGP_3":2.479,"moe2D_BCUT_SMR_0":-2.058,"moe2D_BCUT_SMR_1":-0.2211,"moe2D_BCUT_SMR_2":0.5395,"moe2D_BCUT_SMR_3":2.591,"moe2D_GCUT_PEOE_0":-0.7924,"moe2D_GCUT_PEOE_1":-0.3708,"moe2D_GCUT_PEOE_2":-0.0756,"moe2D_GCUT_PEOE_3":2.178,"moe2D_GCUT_SLOGP_0":-0.8902,"moe2D_GCUT_SLOGP_1":-0.2606,"moe2D_GCUT_SLOGP_2":0.07777,"moe2D_GCUT_SLOGP_3":2.349,"moe2D_GCUT_SMR_0":-0.4871,"moe2D_GCUT_SMR_1":-0.1469,"moe2D_GCUT_SMR_2":0.07635,"moe2D_GCUT_SMR_3":2.455,"moe2D_Kier1":9.091,"moe2D_Kier2":4.133,"moe2D_Kier3":1.975,"moe2D_KierA1":7.18,"moe2D_KierA2":3.178,"moe2D_KierA3":1.483,"moe2D_KierFlex":2.075,"moe2D_PEOE_PC.":0.8493,"moe2D_PEOE_PC..1":-0.8493,"moe2D_PEOE_RPC.":0.09555,"moe2D_PEOE_RPC..1":0.4092,"moe2D_PEOE_VSA.0":65,"moe2D_PEOE_VSA.1":55.31,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":43.26,"moe2D_PEOE_VSA.1.1":12.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.9723,"moe2D_PEOE_VSA_FNEG":0.3347,"moe2D_PEOE_VSA_FPNEG":0.02769,"moe2D_PEOE_VSA_FPOL":0.02769,"moe2D_PEOE_VSA_FPOS":0.6653,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":175.8,"moe2D_PEOE_VSA_NEG":60.52,"moe2D_PEOE_VSA_PNEG":5.008,"moe2D_PEOE_VSA_POL":5.008,"moe2D_PEOE_VSA_POS":120.3,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.318,"moe2D_Q_PC..1":-1.319,"moe2D_Q_RPC.":0.2124,"moe2D_Q_RPC..1":0.2749,"moe2D_Q_VSA_FHYD":0.6958,"moe2D_Q_VSA_FNEG":0.2432,"moe2D_Q_VSA_FPNEG":0.02769,"moe2D_Q_VSA_FPOL":0.3042,"moe2D_Q_VSA_FPOS":0.7568,"moe2D_Q_VSA_FPPOS":0.2765,"moe2D_Q_VSA_HYD":125.8,"moe2D_Q_VSA_NEG":43.98,"moe2D_Q_VSA_PNEG":5.008,"moe2D_Q_VSA_POL":55,"moe2D_Q_VSA_POS":136.8,"moe2D_Q_VSA_PPOS":50,"moe2D_SMR":4.428,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":22,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":13.67,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":104.1,"moe2D_SlogP":2.012,"moe2D_SlogP_VSA0":22,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":70.77,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":43.81,"moe2D_TPSA":18.46,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.305,"moe2D_VDistMa":6.62,"moe2D_Weight":152.2,"moe2D_a_IC":30.49,"moe2D_a_ICM":1.326,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":23,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":25.45,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1818,"moe2D_b_ar":6,"moe2D_b_count":23,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1818,"moe2D_b_single":17,"moe2D_b_triple":0,"moe2D_balabanJ":2.487,"moe2D_bpol":16.95,"moe2D_chi0":8.268,"moe2D_chi0_C":6.853,"moe2D_chi0v":7.049,"moe2D_chi0v_C":6.232,"moe2D_chi1":5.291,"moe2D_chi1_C":3.061,"moe2D_chi1v":3.469,"moe2D_chi1v_C":2.244,"moeGao_chi2_C":2.261,"moeGao_chi2v_C":1.439,"moeGao_chi3c":0.5258,"moeGao_chi3c_C":0.1925,"moeGao_chi3cv":0.2429,"moeGao_chi3cv_C":0.125,"moeGao_chi3p":3.686,"moeGao_chi3p_C":1.485,"moeGao_chi3pv":1.674,"moeGao_chi3pv_C":0.7921,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.705,"moeGao_chi4ca_C":0.9756,"moeGao_chi4cav":1.037,"moeGao_chi4cav_C":0.436,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.639,"moeGao_chi4pc_C":0.2722,"moeGao_chi4pcv":0.6091,"moeGao_chi4pcv_C":0.1443,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.681,"moe2D_diameter":6,"moe2D_kS_aaCH":5.736,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.77,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":5.279,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":10.21,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.112,"moe2D_logS":-1.646,"moe2D_mr":4.491,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":180.8,"moe2D_vdw_vol":223.5,"moe2D_vsa_acc":5.008,"moe2D_vsa_don":0,"moe2D_vsa_hyd":167.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.008,"moe2D_weinerPath":150,"moe2D_weinerPol":15,"moe2D_zagreb":50}
{"Molecule":"2-(disopropylamino)ethanol(ethanol2(bis(1-methylethyl)amino)","moeGao_Abra_L":4.41,"moeGao_Abra_R":0.32,"moeGao_Abra_acidity":0.286,"moeGao_Abra_basicity":1.081,"moeGao_Abra_pi":0.552,"moe2D_BCUT_PEOE_0":-2.743,"moe2D_BCUT_PEOE_1":-0.02597,"moe2D_BCUT_PEOE_2":0.05295,"moe2D_BCUT_PEOE_3":2.645,"moe2D_BCUT_SLOGP_0":-2.799,"moe2D_BCUT_SLOGP_1":0.03806,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.631,"moe2D_BCUT_SMR_0":-2.467,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1206,"moe2D_BCUT_SMR_3":2.914,"moe2D_GCUT_PEOE_0":-0.8531,"moe2D_GCUT_PEOE_1":-0.2104,"moe2D_GCUT_PEOE_2":-0.107,"moe2D_GCUT_PEOE_3":2.475,"moe2D_GCUT_SLOGP_0":-0.9601,"moe2D_GCUT_SLOGP_1":-0.1648,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.484,"moe2D_GCUT_SMR_0":-0.5247,"moe2D_GCUT_SMR_1":-0.06746,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.699,"moe2D_Kier1":10,"moe2D_Kier2":4.76,"moe2D_Kier3":3.702,"moe2D_KierA1":10,"moe2D_KierA2":4.76,"moe2D_KierA3":3.702,"moe2D_KierFlex":4.76,"moe2D_PEOE_PC.":0.888,"moe2D_PEOE_PC..1":-0.888,"moe2D_PEOE_RPC.":0.2359,"moe2D_PEOE_RPC..1":0.4434,"moe2D_PEOE_VSA.0":87.73,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":74.99,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9114,"moe2D_PEOE_VSA_FNEG":0.4051,"moe2D_PEOE_VSA_FPNEG":0.03802,"moe2D_PEOE_VSA_FPOL":0.08856,"moe2D_PEOE_VSA_FPOS":0.5949,"moe2D_PEOE_VSA_FPPOS":0.05054,"moe2D_PEOE_VSA_HYD":186.2,"moe2D_PEOE_VSA_NEG":82.76,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":121.5,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.49,"moe2D_Q_PC..1":-1.49,"moe2D_Q_RPC.":0.2685,"moe2D_Q_RPC..1":0.5436,"moe2D_Q_VSA_FHYD":0.7429,"moe2D_Q_VSA_FNEG":0.03802,"moe2D_Q_VSA_FPNEG":0.03802,"moe2D_Q_VSA_FPOL":0.2571,"moe2D_Q_VSA_FPOS":0.962,"moe2D_Q_VSA_FPPOS":0.2191,"moe2D_Q_VSA_HYD":151.8,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":52.53,"moe2D_Q_VSA_POS":196.5,"moe2D_Q_VSA_PPOS":44.76,"moe2D_SMR":4.406,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":28.51,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":7.964,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":39.37,"moe2D_SMR_VSA7":133.3,"moe2D_SlogP":1.098,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":3.124,"moe2D_SlogP_VSA2":7.964,"moe2D_SlogP_VSA3":39.37,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":133.3,"moe2D_TPSA":23.47,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.251,"moe2D_VDistMa":6.335,"moe2D_Weight":145.2,"moe2D_a_IC":36.17,"moe2D_a_ICM":1.247,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":29,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":19,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":28.65,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.4444,"moe2D_b_ar":0,"moe2D_b_count":28,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":4,"moe2D_b_rotR":0.4444,"moe2D_b_single":28,"moe2D_b_triple":0,"moe2D_balabanJ":3.728,"moe2D_bpol":22.75,"moe2D_chi0":8.146,"moe2D_chi0_C":6.569,"moe2D_chi0v":7.463,"moe2D_chi0v_C":6.569,"moe2D_chi1":4.591,"moe2D_chi1_C":2.809,"moe2D_chi1v":3.958,"moe2D_chi1v_C":2.809,"moeGao_chi2_C":1.155,"moeGao_chi2v_C":1.155,"moeGao_chi3c":0.8027,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.6218,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.335,"moeGao_chi3p_C":0,"moeGao_chi3pv":1.685,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.77,"moeGao_chi4ca_C":0,"moeGao_chi4cav":1.228,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.497,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.159,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6161,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":8.594,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.693,"moe2D_kS_ssCH2":1.047,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":1.069,"moe2D_kS_sssN":2.264,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.079,"moe2D_logS":-0.5947,"moe2D_mr":4.37,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":204.3,"moe2D_vdw_vol":235.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":173.4,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":124,"moe2D_weinerPol":11,"moe2D_zagreb":40}
{"Molecule":"2-(ethylamine)ethanol(n-ethylaminoethanol)","moeGao_Abra_L":3.178,"moeGao_Abra_R":0.372,"moeGao_Abra_acidity":0.218,"moeGao_Abra_basicity":0.926,"moeGao_Abra_pi":0.545,"moe2D_BCUT_PEOE_0":-2.569,"moe2D_BCUT_PEOE_1":-0.4007,"moe2D_BCUT_PEOE_2":0.4565,"moe2D_BCUT_PEOE_3":2.479,"moe2D_BCUT_SLOGP_0":-2.738,"moe2D_BCUT_SLOGP_1":-0.3946,"moe2D_BCUT_SLOGP_2":0.4277,"moe2D_BCUT_SLOGP_3":2.393,"moe2D_BCUT_SMR_0":-2.299,"moe2D_BCUT_SMR_1":-0.297,"moe2D_BCUT_SMR_2":0.5428,"moe2D_BCUT_SMR_3":2.737,"moe2D_GCUT_PEOE_0":-0.8474,"moe2D_GCUT_PEOE_1":-0.3034,"moe2D_GCUT_PEOE_2":0.04939,"moe2D_GCUT_PEOE_3":1.995,"moe2D_GCUT_SLOGP_0":-1.153,"moe2D_GCUT_SLOGP_1":-0.3036,"moe2D_GCUT_SLOGP_2":-0.01262,"moe2D_GCUT_SLOGP_3":1.935,"moe2D_GCUT_SMR_0":-0.5161,"moe2D_GCUT_SMR_1":-0.177,"moe2D_GCUT_SMR_2":0.1089,"moe2D_GCUT_SMR_3":2.214,"moe2D_Kier1":6,"moe2D_Kier2":5,"moe2D_Kier3":5.333,"moe2D_KierA1":6,"moe2D_KierA2":5,"moe2D_KierA3":5.333,"moe2D_KierFlex":5,"moe2D_PEOE_PC.":0.7673,"moe2D_PEOE_PC..1":-0.7673,"moe2D_PEOE_RPC.":0.273,"moe2D_PEOE_RPC..1":0.5132,"moe2D_PEOE_VSA.0":43.05,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":8.619,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":13.19,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.904,"moe2D_PEOE_VSA_FHYD":0.8545,"moe2D_PEOE_VSA_FNEG":0.3179,"moe2D_PEOE_VSA_FPNEG":0.06307,"moe2D_PEOE_VSA_FPOL":0.1455,"moe2D_PEOE_VSA_FPOS":0.6821,"moe2D_PEOE_VSA_FPPOS":0.08238,"moe2D_PEOE_VSA_HYD":107.1,"moe2D_PEOE_VSA_NEG":39.84,"moe2D_PEOE_VSA_PNEG":7.904,"moe2D_PEOE_VSA_POL":18.23,"moe2D_PEOE_VSA_POS":85.48,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.58,"moe2D_Q_PC..1":-1.58,"moe2D_Q_RPC.":0.2532,"moe2D_Q_RPC..1":0.5696,"moe2D_Q_VSA_FHYD":0.4559,"moe2D_Q_VSA_FNEG":0.06307,"moe2D_Q_VSA_FPNEG":0.06307,"moe2D_Q_VSA_FPOL":0.5441,"moe2D_Q_VSA_FPOS":0.9369,"moe2D_Q_VSA_FPPOS":0.481,"moe2D_Q_VSA_HYD":57.14,"moe2D_Q_VSA_NEG":7.904,"moe2D_Q_VSA_PNEG":7.904,"moe2D_Q_VSA_POL":68.18,"moe2D_Q_VSA_POS":117.4,"moe2D_Q_VSA_PPOS":60.28,"moe2D_SMR":2.563,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":18.01,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":57.81,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":-0.4118,"moe2D_SlogP_VSA0":43.4,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":57.81,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":32.26,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":2.149,"moe2D_VDistMa":4.704,"moe2D_Weight":89.14,"moe2D_a_IC":23.43,"moe2D_a_ICM":1.378,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":17,"moe2D_a_don":2,"moe2D_a_heavy":6,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":16.28,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.6,"moe2D_b_ar":0,"moe2D_b_count":16,"moe2D_b_double":0,"moe2D_b_heavy":5,"moe2D_b_rotN":3,"moe2D_b_rotR":0.6,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":2.339,"moe2D_bpol":12.69,"moe2D_chi0":4.828,"moe2D_chi0_C":3.121,"moe2D_chi0v":4.069,"moe2D_chi0v_C":3.121,"moe2D_chi1":2.914,"moe2D_chi1_C":1.207,"moe2D_chi1v":2.23,"moe2D_chi1v_C":1.207,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.9571,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.5386,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.5,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2558,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6534,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.01,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.135,"moe2D_kS_ssCH2":1.908,"moe2D_kS_ssNH":2.948,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.454,"moe2D_logS":0.5179,"moe2D_mr":2.585,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":125.3,"moe2D_vdw_vol":136.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":92.07,"moe2D_vsa_other":0,"moe2D_vsa_pol":19.25,"moe2D_weinerPath":35,"moe2D_weinerPol":3,"moe2D_zagreb":18}
{"Molecule":"2-allylphenol","moeGao_Abra_L":5.138,"moeGao_Abra_R":0.964,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.452,"moeGao_Abra_pi":0.891,"moe2D_BCUT_PEOE_0":-2.334,"moe2D_BCUT_PEOE_1":-0.6498,"moe2D_BCUT_PEOE_2":0.6915,"moe2D_BCUT_PEOE_3":2.295,"moe2D_BCUT_SLOGP_0":-2.217,"moe2D_BCUT_SLOGP_1":-0.5418,"moe2D_BCUT_SLOGP_2":0.7945,"moe2D_BCUT_SLOGP_3":2.442,"moe2D_BCUT_SMR_0":-2.04,"moe2D_BCUT_SMR_1":-0.5013,"moe2D_BCUT_SMR_2":0.8464,"moe2D_BCUT_SMR_3":2.596,"moe2D_GCUT_PEOE_0":-0.7642,"moe2D_GCUT_PEOE_1":-0.3873,"moe2D_GCUT_PEOE_2":0.09529,"moe2D_GCUT_PEOE_3":2.111,"moe2D_GCUT_SLOGP_0":-0.7621,"moe2D_GCUT_SLOGP_1":-0.262,"moe2D_GCUT_SLOGP_2":0.1687,"moe2D_GCUT_SLOGP_3":2.278,"moe2D_GCUT_SMR_0":-0.4684,"moe2D_GCUT_SMR_1":-0.2074,"moe2D_GCUT_SMR_2":0.214,"moe2D_GCUT_SMR_3":2.402,"moe2D_Kier1":8.1,"moe2D_Kier2":4,"moe2D_Kier3":2.286,"moe2D_KierA1":5.677,"moe2D_KierA2":2.678,"moe2D_KierA3":1.473,"moe2D_KierFlex":1.52,"moe2D_PEOE_PC.":0.778,"moe2D_PEOE_PC..1":-0.778,"moe2D_PEOE_RPC.":0.2793,"moe2D_PEOE_RPC..1":0.4622,"moe2D_PEOE_VSA.0":8.531,"moe2D_PEOE_VSA.1":38.32,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":23.16,"moe2D_PEOE_VSA.1.1":49.02,"moe2D_PEOE_VSA.2.1":22.3,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8865,"moe2D_PEOE_VSA_FNEG":0.6414,"moe2D_PEOE_VSA_FPNEG":0.04872,"moe2D_PEOE_VSA_FPOL":0.1135,"moe2D_PEOE_VSA_FPOS":0.3586,"moe2D_PEOE_VSA_FPPOS":0.06476,"moe2D_PEOE_VSA_HYD":141.3,"moe2D_PEOE_VSA_NEG":102.3,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":57.17,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.864,"moe2D_Q_PC..1":-1.864,"moe2D_Q_RPC.":0.2414,"moe2D_Q_RPC..1":0.2856,"moe2D_Q_VSA_FHYD":0.6152,"moe2D_Q_VSA_FNEG":0.5868,"moe2D_Q_VSA_FPNEG":0.2655,"moe2D_Q_VSA_FPOL":0.3848,"moe2D_Q_VSA_FPOS":0.4132,"moe2D_Q_VSA_FPPOS":0.1193,"moe2D_Q_VSA_HYD":98.08,"moe2D_Q_VSA_NEG":93.55,"moe2D_Q_VSA_PNEG":42.32,"moe2D_Q_VSA_POL":61.35,"moe2D_Q_VSA_POS":65.87,"moe2D_Q_VSA_PPOS":19.03,"moe2D_SMR":4.201,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":8.429,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":107.1,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":32.1,"moe2D_SlogP":2.121,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":18.87,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":37.34,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.338,"moe2D_VDistMa":6.313,"moe2D_Weight":134.2,"moe2D_a_IC":24.69,"moe2D_a_ICM":1.234,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":20,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":23.31,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.2,"moe2D_b_ar":6,"moe2D_b_count":20,"moe2D_b_double":1,"moe2D_b_heavy":10,"moe2D_b_rotN":2,"moe2D_b_rotR":0.2,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.297,"moe2D_bpol":10.93,"moe2D_chi0":7.397,"moe2D_chi0_C":6.397,"moe2D_chi0v":5.748,"moe2D_chi0v_C":5.301,"moe2D_chi1":4.843,"moe2D_chi1_C":4.265,"moe2D_chi1v":3.221,"moe2D_chi1v_C":2.997,"moeGao_chi2_C":3.069,"moeGao_chi2v_C":1.881,"moeGao_chi3c":0.4024,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.1666,"moeGao_chi3cv_C":0.1021,"moeGao_chi3p":2.949,"moeGao_chi3p_C":2.189,"moeGao_chi3pv":1.356,"moeGao_chi3pv_C":1.138,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.193,"moeGao_chi4ca_C":1.655,"moeGao_chi4cav":0.8389,"moeGao_chi4cav_C":0.713,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.02,"moeGao_chi4pc_C":0.3536,"moeGao_chi4pcv":0.3426,"moeGao_chi4pcv_C":0.1768,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6552,"moe2D_diameter":6,"moe2D_kS_aaCH":7.274,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.278,"moe2D_kS_dCH2":3.586,"moe2D_kS_dO":0,"moe2D_kS_dsCH":1.773,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.194,"moe2D_kS_ssCH2":0.7288,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.518,"moe2D_logS":-2.181,"moe2D_mr":4.237,"moe2D_opr_brigid":7,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":159.4,"moe2D_vdw_vol":204.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":134.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":121,"moe2D_weinerPol":11,"moe2D_zagreb":44}
{"Molecule":"2-aminoethanol(monoethanolamine)","moeGao_Abra_L":2.509,"moeGao_Abra_R":0.423,"moeGao_Abra_acidity":0.463,"moeGao_Abra_basicity":0.859,"moeGao_Abra_pi":0.632,"moe2D_BCUT_PEOE_0":-2.444,"moe2D_BCUT_PEOE_1":-0.4489,"moe2D_BCUT_PEOE_2":0.5457,"moe2D_BCUT_PEOE_3":2.384,"moe2D_BCUT_SLOGP_0":-2.698,"moe2D_BCUT_SLOGP_1":-0.488,"moe2D_BCUT_SLOGP_2":0.4594,"moe2D_BCUT_SLOGP_3":2.215,"moe2D_BCUT_SMR_0":-2.192,"moe2D_BCUT_SMR_1":-0.3576,"moe2D_BCUT_SMR_2":0.5987,"moe2D_BCUT_SMR_3":2.62,"moe2D_GCUT_PEOE_0":-0.8329,"moe2D_GCUT_PEOE_1":-0.3096,"moe2D_GCUT_PEOE_2":0.1165,"moe2D_GCUT_PEOE_3":1.714,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.3579,"moe2D_GCUT_SLOGP_2":0.036,"moe2D_GCUT_SLOGP_3":1.592,"moe2D_GCUT_SMR_0":-0.5145,"moe2D_GCUT_SMR_1":-0.1996,"moe2D_GCUT_SMR_2":0.1452,"moe2D_GCUT_SMR_3":1.92,"moe2D_Kier1":4,"moe2D_Kier2":3,"moe2D_Kier3":4,"moe2D_KierA1":4,"moe2D_KierA2":3,"moe2D_KierA3":4,"moe2D_KierFlex":3,"moe2D_PEOE_PC.":0.7217,"moe2D_PEOE_PC..1":-0.7217,"moe2D_PEOE_RPC.":0.2902,"moe2D_PEOE_RPC..1":0.5456,"moe2D_PEOE_VSA.0":21.72,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":14.42,"moe2D_PEOE_VSA_FHYD":0.7162,"moe2D_PEOE_VSA_FNEG":0.1654,"moe2D_PEOE_VSA_FPNEG":0.1654,"moe2D_PEOE_VSA_FPOL":0.2838,"moe2D_PEOE_VSA_FPOS":0.8346,"moe2D_PEOE_VSA_FPPOS":0.1184,"moe2D_PEOE_VSA_HYD":62.44,"moe2D_PEOE_VSA_NEG":14.42,"moe2D_PEOE_VSA_PNEG":14.42,"moe2D_PEOE_VSA_POL":24.74,"moe2D_PEOE_VSA_POS":72.77,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.67,"moe2D_Q_PC..1":-1.67,"moe2D_Q_RPC.":0.2395,"moe2D_Q_RPC..1":0.5928,"moe2D_Q_VSA_FHYD":0.1957,"moe2D_Q_VSA_FNEG":0.1654,"moe2D_Q_VSA_FPNEG":0.1654,"moe2D_Q_VSA_FPOL":0.8043,"moe2D_Q_VSA_FPOS":0.8346,"moe2D_Q_VSA_FPPOS":0.6389,"moe2D_Q_VSA_HYD":17.06,"moe2D_Q_VSA_NEG":14.42,"moe2D_Q_VSA_PNEG":14.42,"moe2D_Q_VSA_POL":70.12,"moe2D_Q_VSA_POS":72.77,"moe2D_Q_VSA_PPOS":55.71,"moe2D_SMR":1.614,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":39.37,"moe2D_SMR_VSA7":0,"moe2D_SlogP":-1.063,"moe2D_SlogP_VSA0":58.28,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":39.37,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":46.25,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1.459,"moe2D_VDistMa":3.446,"moe2D_Weight":61.08,"moe2D_a_IC":16.4,"moe2D_a_ICM":1.491,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":11,"moe2D_a_don":2,"moe2D_a_heavy":4,"moe2D_a_hyd":2,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":10.09,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":10,"moe2D_b_double":0,"moe2D_b_heavy":3,"moe2D_b_rotN":1,"moe2D_b_rotR":0.3333,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":1.975,"moe2D_bpol":6.992,"moe2D_chi0":3.414,"moe2D_chi0_C":1.414,"moe2D_chi0v":2.439,"moe2D_chi0v_C":1.414,"moe2D_chi1":1.914,"moe2D_chi1_C":0.5,"moe2D_chi1v":1.224,"moe2D_chi1v_C":0.5,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.1291,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7107,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":4.778,"moe2D_kS_sOH":7.75,"moe2D_kS_ssCH2":0.4722,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-1.32,"moe2D_logS":0.9206,"moe2D_mr":1.627,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":87.19,"moe2D_vdw_vol":85.95,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":42.36,"moe2D_vsa_other":0,"moe2D_vsa_pol":31.31,"moe2D_weinerPath":10,"moe2D_weinerPol":1,"moe2D_zagreb":10}
{"Molecule":"2-butanamine(sec-butylamine)","moeGao_Abra_L":2.551,"moeGao_Abra_R":0.214,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.577,"moeGao_Abra_pi":0.338,"moe2D_BCUT_PEOE_0":-2.616,"moe2D_BCUT_PEOE_1":0.02303,"moe2D_BCUT_PEOE_2":0.1185,"moe2D_BCUT_PEOE_3":2.539,"moe2D_BCUT_SLOGP_0":-2.718,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.59,"moe2D_BCUT_SMR_0":-2.355,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.796,"moe2D_GCUT_PEOE_0":-0.8412,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04154,"moe2D_GCUT_PEOE_3":2.033,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.083,"moe2D_GCUT_SMR_0":-0.525,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.253,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":2.25,"moe2D_KierA3":4,"moe2D_KierFlex":2.25,"moe2D_PEOE_PC.":0.4822,"moe2D_PEOE_PC..1":-0.4822,"moe2D_PEOE_RPC.":0.2457,"moe2D_PEOE_RPC..1":0.6793,"moe2D_PEOE_VSA.0":41.53,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9404,"moe2D_PEOE_VSA_FNEG":0.4735,"moe2D_PEOE_VSA_FPNEG":0.05959,"moe2D_PEOE_VSA_FPOL":0.05959,"moe2D_PEOE_VSA_FPOS":0.5265,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":105,"moe2D_PEOE_VSA_NEG":52.85,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":58.77,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7578,"moe2D_Q_VSA_FNEG":0.05959,"moe2D_Q_VSA_FPNEG":0.05959,"moe2D_Q_VSA_FPOL":0.2422,"moe2D_Q_VSA_FPOS":0.9404,"moe2D_Q_VSA_FPPOS":0.1826,"moe2D_Q_VSA_HYD":84.59,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":27.04,"moe2D_Q_VSA_POS":105,"moe2D_Q_VSA_PPOS":20.38,"moe2D_SMR":2.394,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.982,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.7436,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":3.982,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":73.14,"moe2D_a_IC":17.95,"moe2D_a_ICM":1.122,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":15.47,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.54,"moe2D_bpol":11.37,"moe2D_chi0":4.284,"moe2D_chi0_C":3.284,"moe2D_chi0v":3.862,"moe2D_chi0v_C":3.284,"moe2D_chi1":2.27,"moe2D_chi1_C":1.693,"moe2D_chi1v":2.026,"moe2D_chi1v_C":1.693,"moeGao_chi2_C":0.8165,"moeGao_chi2v_C":0.8165,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2357,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0.4082,"moeGao_chi3pv":0.644,"moeGao_chi3pv_C":0.4082,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2357,"moeGao_chi4pcv_C":0,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.5792,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.074,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.292,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.083,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.3843,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.791,"moe2D_logS":-0.1381,"moe2D_mr":2.341,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":111.6,"moe2D_vdw_vol":126.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":81.32,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"2-butanol","moeGao_Abra_L":2.442,"moeGao_Abra_R":0.19,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.403,"moeGao_Abra_pi":0.41,"moe2D_BCUT_PEOE_0":-2.572,"moe2D_BCUT_PEOE_1":-0.1493,"moe2D_BCUT_PEOE_2":0.2217,"moe2D_BCUT_PEOE_3":2.534,"moe2D_BCUT_SLOGP_0":-2.543,"moe2D_BCUT_SLOGP_1":-0.1051,"moe2D_BCUT_SLOGP_2":0.2427,"moe2D_BCUT_SLOGP_3":2.596,"moe2D_BCUT_SMR_0":-2.337,"moe2D_BCUT_SMR_1":-0.06536,"moe2D_BCUT_SMR_2":0.2962,"moe2D_BCUT_SMR_3":2.765,"moe2D_GCUT_PEOE_0":-0.8046,"moe2D_GCUT_PEOE_1":-0.2048,"moe2D_GCUT_PEOE_2":-0.05261,"moe2D_GCUT_PEOE_3":1.988,"moe2D_GCUT_SLOGP_0":-0.8745,"moe2D_GCUT_SLOGP_1":-0.14,"moe2D_GCUT_SLOGP_2":-0.02742,"moe2D_GCUT_SLOGP_3":2.053,"moe2D_GCUT_SMR_0":-0.5295,"moe2D_GCUT_SMR_1":-0.1088,"moe2D_GCUT_SMR_2":0.01731,"moe2D_GCUT_SMR_3":2.189,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":2.25,"moe2D_KierA3":4,"moe2D_KierFlex":2.25,"moe2D_PEOE_PC.":0.5239,"moe2D_PEOE_PC..1":-0.5239,"moe2D_PEOE_RPC.":0.4004,"moe2D_PEOE_RPC..1":0.7483,"moe2D_PEOE_VSA.0":34.12,"moe2D_PEOE_VSA.1":9.17,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8318,"moe2D_PEOE_VSA_FNEG":0.5016,"moe2D_PEOE_VSA_FPNEG":0.0722,"moe2D_PEOE_VSA_FPOL":0.1682,"moe2D_PEOE_VSA_FPOS":0.4984,"moe2D_PEOE_VSA_FPPOS":0.09597,"moe2D_PEOE_VSA_HYD":89.49,"moe2D_PEOE_VSA_NEG":53.96,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":53.62,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7862,"moe2D_Q_VSA_FNEG":0.0722,"moe2D_Q_VSA_FPNEG":0.0722,"moe2D_Q_VSA_FPOL":0.2138,"moe2D_Q_VSA_FPOS":0.9278,"moe2D_Q_VSA_FPPOS":0.1416,"moe2D_Q_VSA_HYD":84.59,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":23,"moe2D_Q_VSA_POS":99.81,"moe2D_Q_VSA_PPOS":15.23,"moe2D_SMR":2.197,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.469,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.7772,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":6.469,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":74.12,"moe2D_a_IC":17.38,"moe2D_a_ICM":1.159,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":15,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":14.51,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.54,"moe2D_bpol":10.93,"moe2D_chi0":4.284,"moe2D_chi0_C":3.284,"moe2D_chi0v":3.732,"moe2D_chi0v_C":3.284,"moe2D_chi1":2.27,"moe2D_chi1_C":1.693,"moe2D_chi1v":1.951,"moe2D_chi1v_C":1.693,"moeGao_chi2_C":0.8165,"moeGao_chi2v_C":0.8165,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1826,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0.4082,"moeGao_chi3pv":0.5908,"moeGao_chi3pv_C":0.4082,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1826,"moeGao_chi4pcv_C":0,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.617,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.727,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.361,"moe2D_kS_ssCH2":0.8611,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-0.1157,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.013,"moe2D_logS":-0.2442,"moe2D_mr":2.225,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":107.6,"moe2D_vdw_vol":120.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":83.08,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"2-butanone-methylethyl","moeGao_Abra_L":2.39,"moeGao_Abra_R":0.179,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.419,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.407,"moe2D_BCUT_PEOE_1":0.02337,"moe2D_BCUT_PEOE_2":0.03387,"moe2D_BCUT_PEOE_3":2.429,"moe2D_BCUT_SLOGP_0":-2.359,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.499,"moe2D_BCUT_SMR_0":-2.175,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.672,"moe2D_GCUT_PEOE_0":-0.7461,"moe2D_GCUT_PEOE_1":-0.1366,"moe2D_GCUT_PEOE_2":-0.1261,"moe2D_GCUT_PEOE_3":1.856,"moe2D_GCUT_SLOGP_0":-0.8106,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.915,"moe2D_GCUT_SMR_0":-0.5091,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.076,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":4.021,"moe2D_KierA2":1.686,"moe2D_KierA3":2.673,"moe2D_KierFlex":1.356,"moe2D_PEOE_PC.":0.3624,"moe2D_PEOE_PC..1":-0.3624,"moe2D_PEOE_RPC.":0.3589,"moe2D_PEOE_RPC..1":0.8216,"moe2D_PEOE_VSA.0":42.82,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.8674,"moe2D_PEOE_VSA_FNEG":0.4989,"moe2D_PEOE_VSA_FPNEG":0.1326,"moe2D_PEOE_VSA_FPOL":0.1326,"moe2D_PEOE_VSA_FPOS":0.5011,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":88.78,"moe2D_PEOE_VSA_NEG":51.06,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":51.28,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7848,"moe2D_Q_VSA_FNEG":0.1326,"moe2D_Q_VSA_FPNEG":0.1326,"moe2D_Q_VSA_FPOL":0.2152,"moe2D_Q_VSA_FPOS":0.8674,"moe2D_Q_VSA_FPPOS":0.08265,"moe2D_Q_VSA_HYD":80.32,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":88.78,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":2.097,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.9854,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":72.11,"moe2D_a_IC":16.11,"moe2D_a_ICM":1.239,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":13,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":13.18,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":12,"moe2D_b_double":1,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.669,"moe2D_bpol":9.704,"moe2D_chi0":4.284,"moe2D_chi0_C":3.284,"moe2D_chi0v":3.615,"moe2D_chi0v_C":3.207,"moe2D_chi1":2.27,"moe2D_chi1_C":1.693,"moe2D_chi1v":1.765,"moe2D_chi1v_C":1.561,"moeGao_chi2_C":0.8165,"moeGao_chi2v_C":0.7071,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1443,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0.4082,"moeGao_chi3pv":0.4979,"moeGao_chi3pv_C":0.3536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1443,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6393,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.812,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.2546,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.433,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.6667,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.572,"moe2D_logS":-0.1384,"moe2D_mr":2.194,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":102.3,"moe2D_vdw_vol":112.8,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":74.63,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"2-butyn-1-ol","moeGao_Abra_L":2.286,"moeGao_Abra_R":0.285,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.441,"moeGao_Abra_pi":0.517,"moe2D_BCUT_PEOE_0":-2.151,"moe2D_BCUT_PEOE_1":-0.2691,"moe2D_BCUT_PEOE_2":0.2609,"moe2D_BCUT_PEOE_3":2.132,"moe2D_BCUT_SLOGP_0":-2.242,"moe2D_BCUT_SLOGP_1":-0.1994,"moe2D_BCUT_SLOGP_2":0.3232,"moe2D_BCUT_SLOGP_3":2.161,"moe2D_BCUT_SMR_0":-1.91,"moe2D_BCUT_SMR_1":-0.03089,"moe2D_BCUT_SMR_2":0.4798,"moe2D_BCUT_SMR_3":2.367,"moe2D_GCUT_PEOE_0":-0.7736,"moe2D_GCUT_PEOE_1":-0.3103,"moe2D_GCUT_PEOE_2":-0.02503,"moe2D_GCUT_PEOE_3":1.571,"moe2D_GCUT_SLOGP_0":-0.878,"moe2D_GCUT_SLOGP_1":-0.2762,"moe2D_GCUT_SLOGP_2":-0.0132,"moe2D_GCUT_SLOGP_3":1.588,"moe2D_GCUT_SMR_0":-0.489,"moe2D_GCUT_SMR_1":-0.0906,"moe2D_GCUT_SMR_2":0.1423,"moe2D_GCUT_SMR_3":1.821,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":3.612,"moe2D_KierA2":2.592,"moe2D_KierA3":2.166,"moe2D_KierFlex":1.873,"moe2D_PEOE_PC.":0.5629,"moe2D_PEOE_PC..1":-0.5629,"moe2D_PEOE_RPC.":0.3743,"moe2D_PEOE_RPC..1":0.6796,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":14.95,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":15.81,"moe2D_PEOE_VSA.2.1":15.81,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8273,"moe2D_PEOE_VSA_FNEG":0.555,"moe2D_PEOE_VSA_FPNEG":0.07416,"moe2D_PEOE_VSA_FPOL":0.1727,"moe2D_PEOE_VSA_FPOS":0.445,"moe2D_PEOE_VSA_FPPOS":0.09857,"moe2D_PEOE_VSA_HYD":86.64,"moe2D_PEOE_VSA_NEG":58.13,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":46.6,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.08,"moe2D_Q_PC..1":-1.08,"moe2D_Q_RPC.":0.4444,"moe2D_Q_RPC..1":0.6296,"moe2D_Q_VSA_FHYD":0.6845,"moe2D_Q_VSA_FNEG":0.376,"moe2D_Q_VSA_FPNEG":0.07416,"moe2D_Q_VSA_FPOL":0.3155,"moe2D_Q_VSA_FPOS":0.624,"moe2D_Q_VSA_FPPOS":0.2413,"moe2D_Q_VSA_HYD":71.69,"moe2D_Q_VSA_NEG":39.38,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":65.35,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":2.054,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":34.06,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":0.00201,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":54.99,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":70.09,"moe2D_a_IC":14.54,"moe2D_a_ICM":1.322,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":11,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":11.84,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":10,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":9,"moe2D_b_triple":1,"moe2D_balabanJ":2.324,"moe2D_bpol":6.559,"moe2D_chi0":4.121,"moe2D_chi0_C":3.121,"moe2D_chi0v":3.154,"moe2D_chi0v_C":2.707,"moe2D_chi1":2.414,"moe2D_chi1_C":1.707,"moe2D_chi1v":1.42,"moe2D_chi1v_C":1.104,"moeGao_chi2_C":0.8536,"moeGao_chi2v_C":0.4268,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0.3536,"moeGao_chi3pv":0.2558,"moeGao_chi3pv_C":0.1768,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.07906,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.647,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.691,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":7.893,"moe2D_kS_ssCH2":-0.01736,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":4.934,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.468,"moe2D_logS":-0.6371,"moe2D_mr":2.153,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":104.7,"moe2D_vdw_vol":108.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":83.08,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"2-butyne-14-diol","moeGao_Abra_L":3.136,"moeGao_Abra_R":0.45,"moeGao_Abra_acidity":0.72,"moeGao_Abra_basicity":0.741,"moeGao_Abra_pi":0.839,"moe2D_BCUT_PEOE_0":-2.173,"moe2D_BCUT_PEOE_1":-0.5238,"moe2D_BCUT_PEOE_2":0.5139,"moe2D_BCUT_PEOE_3":2.159,"moe2D_BCUT_SLOGP_0":-2.285,"moe2D_BCUT_SLOGP_1":-0.56,"moe2D_BCUT_SLOGP_2":0.4676,"moe2D_BCUT_SLOGP_3":2.045,"moe2D_BCUT_SMR_0":-1.932,"moe2D_BCUT_SMR_1":-0.2847,"moe2D_BCUT_SMR_2":0.7279,"moe2D_BCUT_SMR_3":2.39,"moe2D_GCUT_PEOE_0":-0.7734,"moe2D_GCUT_PEOE_1":-0.4029,"moe2D_GCUT_PEOE_2":0.09625,"moe2D_GCUT_PEOE_3":1.622,"moe2D_GCUT_SLOGP_0":-0.8817,"moe2D_GCUT_SLOGP_1":-0.4881,"moe2D_GCUT_SLOGP_2":-0.00142,"moe2D_GCUT_SLOGP_3":1.545,"moe2D_GCUT_SMR_0":-0.4923,"moe2D_GCUT_SMR_1":-0.1721,"moe2D_GCUT_SMR_2":0.2407,"moe2D_GCUT_SMR_3":1.863,"moe2D_Kier1":6,"moe2D_Kier2":5,"moe2D_Kier3":5.333,"moe2D_KierA1":4.624,"moe2D_KierA2":3.612,"moe2D_KierA3":3.605,"moe2D_KierFlex":2.784,"moe2D_PEOE_PC.":0.909,"moe2D_PEOE_PC..1":-0.909,"moe2D_PEOE_RPC.":0.2318,"moe2D_PEOE_RPC..1":0.4208,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":29.9,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":20.65,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":31.62,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":15.54,"moe2D_PEOE_VSA_FHYD":0.6847,"moe2D_PEOE_VSA_FNEG":0.4109,"moe2D_PEOE_VSA_FPNEG":0.1354,"moe2D_PEOE_VSA_FPOL":0.3153,"moe2D_PEOE_VSA_FPOS":0.5891,"moe2D_PEOE_VSA_FPPOS":0.1799,"moe2D_PEOE_VSA_HYD":78.58,"moe2D_PEOE_VSA_NEG":47.15,"moe2D_PEOE_VSA_PNEG":15.54,"moe2D_PEOE_VSA_POL":36.18,"moe2D_PEOE_VSA_POS":67.61,"moe2D_PEOE_VSA_PPOS":20.65,"moe2D_Q_PC.":1.76,"moe2D_Q_PC..1":-1.76,"moe2D_Q_RPC.":0.2727,"moe2D_Q_RPC..1":0.3864,"moe2D_Q_VSA_FHYD":0.4242,"moe2D_Q_VSA_FNEG":0.4109,"moe2D_Q_VSA_FPNEG":0.1354,"moe2D_Q_VSA_FPOL":0.5758,"moe2D_Q_VSA_FPOS":0.5891,"moe2D_Q_VSA_FPPOS":0.4405,"moe2D_Q_VSA_HYD":48.68,"moe2D_Q_VSA_NEG":47.15,"moe2D_Q_VSA_PNEG":15.54,"moe2D_Q_VSA_POL":66.09,"moe2D_Q_VSA_POS":67.61,"moe2D_Q_VSA_PPOS":50.55,"moe2D_SMR":2.195,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":50.77,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":34.06,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":41.85,"moe2D_SMR_VSA7":0,"moe2D_SlogP":-1.026,"moe2D_SlogP_VSA0":50.77,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":75.91,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":40.46,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":2.149,"moe2D_VDistMa":4.704,"moe2D_Weight":86.09,"moe2D_a_IC":17.51,"moe2D_a_ICM":1.459,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":12,"moe2D_a_don":2,"moe2D_a_heavy":6,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":12.64,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.4,"moe2D_b_ar":0,"moe2D_b_count":11,"moe2D_b_double":0,"moe2D_b_heavy":5,"moe2D_b_rotN":2,"moe2D_b_rotR":0.4,"moe2D_b_single":10,"moe2D_b_triple":1,"moe2D_balabanJ":2.423,"moe2D_bpol":6.559,"moe2D_chi0":4.828,"moe2D_chi0_C":2.828,"moe2D_chi0v":3.309,"moe2D_chi0v_C":2.414,"moe2D_chi1":2.914,"moe2D_chi1_C":1.5,"moe2D_chi1v":1.59,"moe2D_chi1v_C":0.9571,"moeGao_chi2_C":0.7071,"moeGao_chi2v_C":0.3536,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.9571,"moeGao_chi3p_C":0.25,"moeGao_chi3pv":0.2831,"moeGao_chi3pv_C":0.125,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.5,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.1118,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7367,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":15.83,"moe2D_kS_ssCH2":-0.3322,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":4.507,"moe2D_lip_acc":2,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.352,"moe2D_logS":-0.1137,"moe2D_mr":2.302,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":114.8,"moe2D_vdw_vol":116.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":75.73,"moe2D_vsa_other":0,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":35,"moe2D_weinerPol":3,"moe2D_zagreb":18}
{"Molecule":"2-chloro-4-methylaniline","moeGao_Abra_L":5.267,"moeGao_Abra_R":1.074,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.417,"moeGao_Abra_pi":1.077,"moe2D_BCUT_PEOE_0":-2.291,"moe2D_BCUT_PEOE_1":-0.4361,"moe2D_BCUT_PEOE_2":0.4992,"moe2D_BCUT_PEOE_3":2.237,"moe2D_BCUT_SLOGP_0":-2.324,"moe2D_BCUT_SLOGP_1":-0.2485,"moe2D_BCUT_SLOGP_2":0.7249,"moe2D_BCUT_SLOGP_3":2.415,"moe2D_BCUT_SMR_0":-1.987,"moe2D_BCUT_SMR_1":-0.2436,"moe2D_BCUT_SMR_2":0.733,"moe2D_BCUT_SMR_3":2.56,"moe2D_GCUT_PEOE_0":-0.8069,"moe2D_GCUT_PEOE_1":-0.3319,"moe2D_GCUT_PEOE_2":0.02922,"moe2D_GCUT_PEOE_3":2.028,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.1496,"moe2D_GCUT_SLOGP_2":0.24,"moe2D_GCUT_SLOGP_3":2.216,"moe2D_GCUT_SMR_0":-0.4788,"moe2D_GCUT_SMR_1":-0.123,"moe2D_GCUT_SMR_2":0.2432,"moe2D_GCUT_SMR_3":2.345,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.704,"moe2D_KierA1":5.916,"moe2D_KierA2":2.206,"moe2D_KierA3":1.346,"moe2D_KierFlex":1.45,"moe2D_PEOE_PC.":0.6103,"moe2D_PEOE_PC..1":-0.6103,"moe2D_PEOE_RPC.":0.2031,"moe2D_PEOE_RPC..1":0.4933,"moe2D_PEOE_VSA.0":19.5,"moe2D_PEOE_VSA.1":17.32,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":45.47,"moe2D_PEOE_VSA.1.1":41.84,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9551,"moe2D_PEOE_VSA_FNEG":0.6348,"moe2D_PEOE_VSA_FPNEG":0.04494,"moe2D_PEOE_VSA_FPOL":0.04494,"moe2D_PEOE_VSA_FPOS":0.3652,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":141.4,"moe2D_PEOE_VSA_NEG":93.95,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":54.05,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.671,"moe2D_Q_PC..1":-1.67,"moe2D_Q_RPC.":0.2394,"moe2D_Q_RPC..1":0.5388,"moe2D_Q_VSA_FHYD":0.8386,"moe2D_Q_VSA_FNEG":0.5081,"moe2D_Q_VSA_FPNEG":0.04494,"moe2D_Q_VSA_FPOL":0.1614,"moe2D_Q_VSA_FPOS":0.4919,"moe2D_Q_VSA_FPPOS":0.1165,"moe2D_Q_VSA_HYD":124.1,"moe2D_Q_VSA_NEG":75.21,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":72.8,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":4.06,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.686,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":85.83,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":72.47,"moe2D_SlogP":2.231,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":75.23,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.037,"moe2D_VDistMa":6.021,"moe2D_Weight":141.6,"moe2D_a_IC":25.84,"moe2D_a_ICM":1.52,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":17,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":20.93,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":17,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.409,"moe2D_bpol":8.506,"moe2D_chi0":6.853,"moe2D_chi0_C":4.853,"moe2D_chi0v":5.943,"moe2D_chi0v_C":4.232,"moe2D_chi1":4.198,"moe2D_chi1_C":3.044,"moe2D_chi1v":3.094,"moe2D_chi1v_C":2.238,"moeGao_chi2_C":2.39,"moeGao_chi2v_C":1.51,"moeGao_chi3c":0.7601,"moeGao_chi3c_C":0.2887,"moeGao_chi3cv":0.4137,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":2.86,"moeGao_chi3p_C":1.531,"moeGao_chi3pv":1.483,"moeGao_chi3pv_C":0.8127,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.817,"moeGao_chi4ca_C":0.945,"moeGao_chi4cav":0.8673,"moeGao_chi4cav_C":0.4248,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.478,"moeGao_chi4pc_C":0.3708,"moeGao_chi4pcv":0.6411,"moeGao_chi4pcv_C":0.1796,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7699,"moe2D_diameter":5,"moe2D_kS_aaCH":5.579,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.6343,"moe2D_kS_aasC":1.775,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.978,"moe2D_kS_sCl":5.689,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.457,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.159,"moe2D_logS":-2.314,"moe2D_mr":3.96,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":148,"moe2D_vdw_vol":183.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":119.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":84,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"2-chloro-6-fluorobenzaldehyde","moeGao_Abra_L":4.869,"moeGao_Abra_R":0.812,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.414,"moeGao_Abra_pi":1.194,"moe2D_BCUT_PEOE_0":-2.118,"moe2D_BCUT_PEOE_1":-0.6372,"moe2D_BCUT_PEOE_2":0.6343,"moe2D_BCUT_PEOE_3":2.179,"moe2D_BCUT_SLOGP_0":-2.041,"moe2D_BCUT_SLOGP_1":-0.4111,"moe2D_BCUT_SLOGP_2":0.8655,"moe2D_BCUT_SLOGP_3":2.296,"moe2D_BCUT_SMR_0":-1.82,"moe2D_BCUT_SMR_1":-0.4096,"moe2D_BCUT_SMR_2":0.869,"moe2D_BCUT_SMR_3":2.48,"moe2D_GCUT_PEOE_0":-0.7196,"moe2D_GCUT_PEOE_1":-0.4057,"moe2D_GCUT_PEOE_2":0.0476,"moe2D_GCUT_PEOE_3":1.938,"moe2D_GCUT_SLOGP_0":-0.7736,"moe2D_GCUT_SLOGP_1":-0.2096,"moe2D_GCUT_SLOGP_2":0.2922,"moe2D_GCUT_SLOGP_3":2.073,"moe2D_GCUT_SMR_0":-0.3995,"moe2D_GCUT_SMR_1":-0.175,"moe2D_GCUT_SMR_2":0.2806,"moe2D_GCUT_SMR_3":2.234,"moe2D_Kier1":8.1,"moe2D_Kier2":3.408,"moe2D_Kier3":1.75,"moe2D_KierA1":6.445,"moe2D_KierA2":2.635,"moe2D_KierA3":1.321,"moe2D_KierFlex":1.698,"moe2D_PEOE_PC.":0.7089,"moe2D_PEOE_PC..1":-0.7089,"moe2D_PEOE_RPC.":0.2178,"moe2D_PEOE_RPC..1":0.4169,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":19.52,"moe2D_PEOE_VSA.2":13.29,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":41.84,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":11.91,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.822,"moe2D_PEOE_VSA_FNEG":0.6415,"moe2D_PEOE_VSA_FPNEG":0.178,"moe2D_PEOE_VSA_FPOL":0.178,"moe2D_PEOE_VSA_FPOS":0.3585,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":117.7,"moe2D_PEOE_VSA_NEG":91.82,"moe2D_PEOE_VSA_PNEG":25.48,"moe2D_PEOE_VSA_POL":25.48,"moe2D_PEOE_VSA_POS":51.32,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.387,"moe2D_Q_PC..1":-1.387,"moe2D_Q_RPC.":0.3056,"moe2D_Q_RPC..1":0.411,"moe2D_Q_VSA_FHYD":0.7759,"moe2D_Q_VSA_FNEG":0.6415,"moe2D_Q_VSA_FPNEG":0.09478,"moe2D_Q_VSA_FPOL":0.2241,"moe2D_Q_VSA_FPOS":0.3585,"moe2D_Q_VSA_FPPOS":0.1293,"moe2D_Q_VSA_HYD":111.1,"moe2D_Q_VSA_NEG":91.82,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":51.32,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":3.68,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":14.96,"moe2D_SMR_VSA2":9.121,"moe2D_SMR_VSA3":6.686,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":59.29,"moe2D_SlogP":2.292,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":29.27,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":54.11,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.082,"moe2D_VDistMa":6.348,"moe2D_Weight":158.6,"moe2D_a_IC":25.65,"moe2D_a_ICM":1.832,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":1,"moe2D_a_nF":1,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":18.53,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":1,"moe2D_b_heavy":10,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.509,"moe2D_bpol":6.954,"moe2D_chi0":7.56,"moe2D_chi0_C":4.56,"moe2D_chi0v":5.73,"moe2D_chi0v_C":3.809,"moe2D_chi1":4.753,"moe2D_chi1_C":2.891,"moe2D_chi1v":3.024,"moe2D_chi1v_C":2.033,"moeGao_chi2_C":2.066,"moeGao_chi2v_C":1.228,"moeGao_chi3c":0.6075,"moeGao_chi3c_C":0.1361,"moeGao_chi3cv":0.2904,"moeGao_chi3cv_C":0.07217,"moeGao_chi3p":3.252,"moeGao_chi3p_C":1.347,"moeGao_chi3pv":1.447,"moeGao_chi3pv_C":0.6701,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.556,"moeGao_chi4ca_C":0.8779,"moeGao_chi4cav":0.8309,"moeGao_chi4cav_C":0.3656,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.54,"moeGao_chi4pc_C":0.1925,"moeGao_chi4pcv":0.583,"moeGao_chi4pcv_C":0.08333,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9135,"moe2D_diameter":5,"moe2D_kS_aaCH":4.106,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":-0.4329,"moe2D_kS_aasC":-0.07948,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.12,"moe2D_kS_dsCH":0.4005,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.458,"moe2D_kS_sF":12.54,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.574,"moe2D_logS":-2.42,"moe2D_mr":3.856,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":143.1,"moe2D_vdw_vol":173.6,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":104.7,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":112,"moe2D_weinerPol":13,"moe2D_zagreb":46}
{"Molecule":"2-chlorotoluene","moeGao_Abra_L":4.244,"moeGao_Abra_R":0.799,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.122,"moeGao_Abra_pi":0.686,"moe2D_BCUT_PEOE_0":-2.265,"moe2D_BCUT_PEOE_1":-0.5682,"moe2D_BCUT_PEOE_2":0.6161,"moe2D_BCUT_PEOE_3":2.225,"moe2D_BCUT_SLOGP_0":-2.102,"moe2D_BCUT_SLOGP_1":-0.419,"moe2D_BCUT_SLOGP_2":0.7646,"moe2D_BCUT_SLOGP_3":2.402,"moe2D_BCUT_SMR_0":-1.975,"moe2D_BCUT_SMR_1":-0.3921,"moe2D_BCUT_SMR_2":0.7968,"moe2D_BCUT_SMR_3":2.534,"moe2D_GCUT_PEOE_0":-0.7501,"moe2D_GCUT_PEOE_1":-0.3598,"moe2D_GCUT_PEOE_2":0.0562,"moe2D_GCUT_PEOE_3":1.96,"moe2D_GCUT_SLOGP_0":-0.6009,"moe2D_GCUT_SLOGP_1":-0.2162,"moe2D_GCUT_SLOGP_2":0.2013,"moe2D_GCUT_SLOGP_3":2.154,"moe2D_GCUT_SMR_0":-0.4788,"moe2D_GCUT_SMR_1":-0.1658,"moe2D_GCUT_SMR_2":0.2223,"moe2D_GCUT_SMR_3":2.271,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.488,"moe2D_KierA1":5.345,"moe2D_KierA2":2.151,"moe2D_KierA3":1.245,"moe2D_KierFlex":1.437,"moe2D_PEOE_PC.":0.3761,"moe2D_PEOE_PC..1":-0.3761,"moe2D_PEOE_RPC.":0.1681,"moe2D_PEOE_RPC..1":0.2214,"moe2D_PEOE_VSA.0":17.32,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":33.21,"moe2D_PEOE_VSA.1.1":66.35,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7433,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2567,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":133.9,"moe2D_PEOE_VSA_NEG":99.56,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":34.38,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.9205,"moe2D_Q_PC..1":-0.9205,"moe2D_Q_RPC.":0.1923,"moe2D_Q_RPC..1":0.1923,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.6034,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.3966,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":133.9,"moe2D_Q_VSA_NEG":80.81,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":53.13,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.619,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.686,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":72.47,"moe2D_SlogP":2.648,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":72.47,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.835,"moe2D_VDistMa":5.673,"moe2D_Weight":126.6,"moe2D_a_IC":19.3,"moe2D_a_ICM":1.287,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":15,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":19.17,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":2.357,"moe2D_bpol":8.072,"moe2D_chi0":5.983,"moe2D_chi0_C":4.983,"moe2D_chi0v":5.443,"moe2D_chi0v_C":4.309,"moe2D_chi1":3.805,"moe2D_chi1_C":3.227,"moe2D_chi1v":2.894,"moe2D_chi1v_C":2.327,"moeGao_chi2_C":2.497,"moeGao_chi2v_C":1.546,"moeGao_chi3c":0.4714,"moeGao_chi3c_C":0.2357,"moeGao_chi3cv":0.308,"moeGao_chi3cv_C":0.1443,"moeGao_chi3p":2.54,"moeGao_chi3p_C":1.683,"moeGao_chi3pv":1.501,"moeGao_chi3pv_C":0.8646,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.502,"moeGao_chi4ca_C":1.131,"moeGao_chi4cav":0.6867,"moeGao_chi4cav_C":0.4831,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.138,"moeGao_chi4pc_C":0.3333,"moeGao_chi4pcv":0.683,"moeGao_chi4pcv_C":0.1667,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7479,"moe2D_diameter":4,"moe2D_kS_aaCH":7.774,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.8403,"moe2D_kS_aasC":1.133,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.988,"moe2D_kS_sCl":5.709,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.794,"moe2D_logS":-2.28,"moe2D_mr":3.675,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":133.9,"moe2D_vdw_vol":169.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":129,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":60,"moe2D_weinerPol":8,"moe2D_zagreb":36}
{"Molecule":"2-cyano-6-methyl-benzonitrile(3-chloro-2-toluonitrile)","moeGao_Abra_L":5.463,"moeGao_Abra_R":0.951,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.242,"moeGao_Abra_pi":1.161,"moe2D_BCUT_PEOE_0":-2.257,"moe2D_BCUT_PEOE_1":-0.5369,"moe2D_BCUT_PEOE_2":0.5751,"moe2D_BCUT_PEOE_3":2.241,"moe2D_BCUT_SLOGP_0":-2.116,"moe2D_BCUT_SLOGP_1":-0.353,"moe2D_BCUT_SLOGP_2":0.7374,"moe2D_BCUT_SLOGP_3":2.391,"moe2D_BCUT_SMR_0":-1.976,"moe2D_BCUT_SMR_1":-0.3013,"moe2D_BCUT_SMR_2":0.7766,"moe2D_BCUT_SMR_3":2.541,"moe2D_GCUT_PEOE_0":-0.7458,"moe2D_GCUT_PEOE_1":-0.3607,"moe2D_GCUT_PEOE_2":0.05154,"moe2D_GCUT_PEOE_3":2.012,"moe2D_GCUT_SLOGP_0":-0.6069,"moe2D_GCUT_SLOGP_1":-0.2212,"moe2D_GCUT_SLOGP_2":0.1873,"moe2D_GCUT_SLOGP_3":2.175,"moe2D_GCUT_SMR_0":-0.4788,"moe2D_GCUT_SMR_1":-0.15,"moe2D_GCUT_SMR_2":0.2783,"moe2D_GCUT_SMR_3":2.316,"moe2D_Kier1":8.1,"moe2D_Kier2":3.408,"moe2D_Kier3":1.75,"moe2D_KierA1":6.177,"moe2D_KierA2":2.511,"moe2D_KierA3":1.253,"moe2D_KierFlex":1.551,"moe2D_PEOE_PC.":0.5028,"moe2D_PEOE_PC..1":-0.5028,"moe2D_PEOE_RPC.":0.2006,"moe2D_PEOE_RPC..1":0.3795,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":19.52,"moe2D_PEOE_VSA.2":20.3,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":33.21,"moe2D_PEOE_VSA.1.1":54.09,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":17.74,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6663,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3337,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":157.7,"moe2D_PEOE_VSA_NEG":105,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":52.62,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.328,"moe2D_Q_PC..1":-1.328,"moe2D_Q_RPC.":0.3646,"moe2D_Q_RPC..1":0.4196,"moe2D_Q_VSA_FHYD":0.7587,"moe2D_Q_VSA_FNEG":0.5473,"moe2D_Q_VSA_FPNEG":0.1125,"moe2D_Q_VSA_FPOL":0.2413,"moe2D_Q_VSA_FPOS":0.4527,"moe2D_Q_VSA_FPPOS":0.1288,"moe2D_Q_VSA_HYD":119.6,"moe2D_Q_VSA_NEG":86.3,"moe2D_Q_VSA_PNEG":17.74,"moe2D_Q_VSA_POL":38.04,"moe2D_Q_VSA_POS":71.37,"moe2D_Q_VSA_PPOS":20.3,"moe2D_SMR":4.09,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":31.06,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":26.47,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":72.47,"moe2D_SlogP":2.52,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":47.66,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":72.47,"moe2D_TPSA":23.79,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.082,"moe2D_VDistMa":6.348,"moe2D_Weight":151.6,"moe2D_a_IC":24.49,"moe2D_a_ICM":1.531,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":21.36,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":16,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1,"moe2D_b_single":9,"moe2D_b_triple":1,"moe2D_balabanJ":2.511,"moe2D_bpol":7.639,"moe2D_chi0":7.56,"moe2D_chi0_C":5.56,"moe2D_chi0v":6.313,"moe2D_chi0v_C":4.732,"moe2D_chi1":4.753,"moe2D_chi1_C":3.469,"moe2D_chi1v":3.285,"moe2D_chi1v_C":2.494,"moeGao_chi2_C":2.808,"moeGao_chi2v_C":1.728,"moeGao_chi3c":0.6075,"moeGao_chi3c_C":0.3718,"moeGao_chi3cv":0.3705,"moeGao_chi3cv_C":0.2068,"moeGao_chi3p":3.252,"moeGao_chi3p_C":2.064,"moeGao_chi3pv":1.649,"moeGao_chi3pv_C":1.064,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.556,"moeGao_chi4ca_C":1.218,"moeGao_chi4cav":1.038,"moeGao_chi4cav_C":0.5211,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.54,"moeGao_chi4pc_C":0.7979,"moeGao_chi4pcv":0.7193,"moeGao_chi4pcv_C":0.3623,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7787,"moe2D_diameter":5,"moe2D_kS_aaCH":5.413,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.5301,"moe2D_kS_aasC":1.499,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.866,"moe2D_kS_sCl":5.707,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":8.565,"moe2D_kS_tsC":2.032,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.452,"moe2D_logS":-2.944,"moe2D_mr":4.291,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":157.7,"moe2D_vdw_vol":194.7,"moe2D_vsa_acc":17.74,"moe2D_vsa_don":0,"moe2D_vsa_hyd":115.4,"moe2D_vsa_other":20.3,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":112,"moe2D_weinerPol":13,"moe2D_zagreb":46}
{"Molecule":"2-decanone","moeGao_Abra_L":5.384,"moeGao_Abra_R":0.179,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.419,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.695,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.03414,"moe2D_BCUT_PEOE_3":2.636,"moe2D_BCUT_SLOGP_0":-2.535,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.799,"moe2D_BCUT_SMR_0":-2.445,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.889,"moe2D_GCUT_PEOE_0":-0.8022,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.1259,"moe2D_GCUT_PEOE_3":2.423,"moe2D_GCUT_SLOGP_0":-0.8108,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.556,"moe2D_GCUT_SMR_0":-0.5319,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.639,"moe2D_Kier1":11,"moe2D_Kier2":8.1,"moe2D_Kier3":10,"moe2D_KierA1":10.07,"moe2D_KierA2":7.342,"moe2D_KierA3":8.986,"moe2D_KierFlex":6.72,"moe2D_PEOE_PC.":0.6834,"moe2D_PEOE_PC..1":-0.6834,"moe2D_PEOE_RPC.":0.1907,"moe2D_PEOE_RPC..1":0.4356,"moe2D_PEOE_VSA.0":94.01,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":62.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9341,"moe2D_PEOE_VSA_FNEG":0.502,"moe2D_PEOE_VSA_FPNEG":0.06594,"moe2D_PEOE_VSA_FPOL":0.06594,"moe2D_PEOE_VSA_FPOS":0.498,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":192.2,"moe2D_PEOE_VSA_NEG":103.3,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":102.5,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8929,"moe2D_Q_VSA_FNEG":0.06594,"moe2D_Q_VSA_FPNEG":0.06594,"moe2D_Q_VSA_FPOL":0.1071,"moe2D_Q_VSA_FPOS":0.9341,"moe2D_Q_VSA_FPPOS":0.04111,"moe2D_Q_VSA_HYD":183.7,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":192.2,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":4.867,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":132.1,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":3.326,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":132.1,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.6468,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":3.018,"moe2D_VDistMa":6.516,"moe2D_Weight":156.3,"moe2D_a_IC":33.92,"moe2D_a_ICM":1.094,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":31,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":20,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":31.74,"moe2D_b_1rotN":7,"moe2D_b_1rotR":0.7,"moe2D_b_ar":0,"moe2D_b_count":30,"moe2D_b_double":1,"moe2D_b_heavy":10,"moe2D_b_rotN":7,"moe2D_b_rotR":0.7,"moe2D_b_single":29,"moe2D_b_triple":0,"moe2D_balabanJ":2.803,"moe2D_bpol":22.82,"moe2D_chi0":8.527,"moe2D_chi0_C":7.527,"moe2D_chi0v":7.858,"moe2D_chi0v_C":7.45,"moe2D_chi1":5.27,"moe2D_chi1_C":4.693,"moe2D_chi1v":4.765,"moe2D_chi1v_C":4.561,"moeGao_chi2_C":2.965,"moeGao_chi2v_C":2.871,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1443,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.135,"moeGao_chi3p_C":1.846,"moeGao_chi3pv":1.882,"moeGao_chi3pv_C":1.78,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.333,"moeGao_chi4ca_C":1.129,"moeGao_chi4cav":1.154,"moeGao_chi4cav_C":1.082,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1021,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6025,"moe2D_diameter":9,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.53,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.3338,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.89,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":8.41,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.224,"moe2D_logS":-3.23,"moe2D_mr":4.97,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":7,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":205.7,"moe2D_vdw_vol":259.4,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":169.5,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":212,"moe2D_weinerPol":8,"moe2D_zagreb":40}
{"Molecule":"2-dimethylaminopyridine(2-pyridinamidenn-dimethyl-)","moeGao_Abra_L":4.864,"moeGao_Abra_R":1.069,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.729,"moeGao_Abra_pi":1.044,"moe2D_BCUT_PEOE_0":-2.452,"moe2D_BCUT_PEOE_1":-0.5262,"moe2D_BCUT_PEOE_2":0.5718,"moe2D_BCUT_PEOE_3":2.343,"moe2D_BCUT_SLOGP_0":-2.538,"moe2D_BCUT_SLOGP_1":-0.4393,"moe2D_BCUT_SLOGP_2":0.6605,"moe2D_BCUT_SLOGP_3":2.338,"moe2D_BCUT_SMR_0":-2.14,"moe2D_BCUT_SMR_1":-0.3782,"moe2D_BCUT_SMR_2":0.7179,"moe2D_BCUT_SMR_3":2.654,"moe2D_GCUT_PEOE_0":-0.8268,"moe2D_GCUT_PEOE_1":-0.3451,"moe2D_GCUT_PEOE_2":0.01688,"moe2D_GCUT_PEOE_3":2.058,"moe2D_GCUT_SLOGP_0":-0.9809,"moe2D_GCUT_SLOGP_1":-0.2533,"moe2D_GCUT_SLOGP_2":0.1236,"moe2D_GCUT_SLOGP_3":2.139,"moe2D_GCUT_SMR_0":-0.4799,"moe2D_GCUT_SMR_1":-0.1817,"moe2D_GCUT_SMR_2":0.1549,"moe2D_GCUT_SMR_3":2.348,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":2,"moe2D_KierA1":4.859,"moe2D_KierA2":2.093,"moe2D_KierA3":1.222,"moe2D_KierFlex":1.13,"moe2D_PEOE_PC.":0.648,"moe2D_PEOE_PC..1":-0.648,"moe2D_PEOE_RPC.":0.1678,"moe2D_PEOE_RPC..1":0.4088,"moe2D_PEOE_VSA.0":42.34,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":11.19,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":70.99,"moe2D_PEOE_VSA.1.1":12.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":5.683,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9644,"moe2D_PEOE_VSA_FNEG":0.5575,"moe2D_PEOE_VSA_FPNEG":0.03562,"moe2D_PEOE_VSA_FPOL":0.03562,"moe2D_PEOE_VSA_FPOS":0.4425,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":153.8,"moe2D_PEOE_VSA_NEG":88.92,"moe2D_PEOE_VSA_PNEG":5.683,"moe2D_PEOE_VSA_POL":5.683,"moe2D_PEOE_VSA_POS":70.59,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.908,"moe2D_Q_PC..1":-1.908,"moe2D_Q_RPC.":0.2149,"moe2D_Q_RPC..1":0.4393,"moe2D_Q_VSA_FHYD":0.6029,"moe2D_Q_VSA_FNEG":0.2661,"moe2D_Q_VSA_FPNEG":0.03562,"moe2D_Q_VSA_FPOL":0.3971,"moe2D_Q_VSA_FPOS":0.7339,"moe2D_Q_VSA_FPPOS":0.3615,"moe2D_Q_VSA_HYD":96.16,"moe2D_Q_VSA_NEG":42.45,"moe2D_Q_VSA_PNEG":5.683,"moe2D_Q_VSA_POL":63.35,"moe2D_Q_VSA_POS":117.1,"moe2D_Q_VSA_PPOS":57.67,"moe2D_SMR":3.856,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":3.124,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":2.328,"moe2D_SMR_VSA5":70.14,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":65.79,"moe2D_SlogP":1.148,"moe2D_SlogP_VSA0":3.124,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":65.79,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.14,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":2.328,"moe2D_TPSA":16.13,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.15,"moe2D_VDistMa":6.005,"moe2D_Weight":122.2,"moe2D_a_IC":25.84,"moe2D_a_ICM":1.36,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":19,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":2,"moe2D_a_nO":0,"moe2D_apol":21.19,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":19,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.277,"moe2D_bpol":14.23,"moe2D_chi0":6.69,"moe2D_chi0_C":5.406,"moe2D_chi0v":5.704,"moe2D_chi0v_C":4.809,"moe2D_chi1":4.305,"moe2D_chi1_C":1.908,"moe2D_chi1v":2.889,"moe2D_chi1v_C":1.289,"moeGao_chi2_C":0.9958,"moeGao_chi2v_C":0.5516,"moeGao_chi3c":0.5,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2813,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.593,"moeGao_chi3p_C":0.4541,"moeGao_chi3pv":1.107,"moeGao_chi3pv_C":0.2073,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.801,"moeGao_chi4ca_C":0.1443,"moeGao_chi4cav":0.6183,"moeGao_chi4cav_C":0.05556,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.04,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.4112,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6549,"moe2D_diameter":5,"moe2D_kS_aaCH":7.644,"moe2D_kS_aaN":4.104,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.9977,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.949,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":1.972,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.994,"moe2D_logS":-0.3654,"moe2D_mr":3.792,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":159.5,"moe2D_vdw_vol":186.6,"moe2D_vsa_acc":5.683,"moe2D_vsa_don":0,"moe2D_vsa_hyd":135.5,"moe2D_vsa_other":11.19,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":88,"moe2D_weinerPol":9,"moe2D_zagreb":40}
{"Molecule":"2-dodecanone","moeGao_Abra_L":6.382,"moeGao_Abra_R":0.179,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.419,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.717,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.03414,"moe2D_BCUT_PEOE_3":2.653,"moe2D_BCUT_SLOGP_0":-2.551,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.821,"moe2D_BCUT_SMR_0":-2.465,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.907,"moe2D_GCUT_PEOE_0":-0.8027,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.1259,"moe2D_GCUT_PEOE_3":2.515,"moe2D_GCUT_SLOGP_0":-0.8108,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.655,"moe2D_GCUT_SMR_0":-0.5336,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.731,"moe2D_Kier1":13,"moe2D_Kier2":10.08,"moe2D_Kier3":12,"moe2D_KierA1":12.07,"moe2D_KierA2":9.302,"moe2D_KierA3":11.01,"moe2D_KierFlex":8.639,"moe2D_PEOE_PC.":0.7895,"moe2D_PEOE_PC..1":-0.7895,"moe2D_PEOE_RPC.":0.1651,"moe2D_PEOE_RPC..1":0.3771,"moe2D_PEOE_VSA.0":111.1,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":79.66,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9435,"moe2D_PEOE_VSA_FNEG":0.5024,"moe2D_PEOE_VSA_FPNEG":0.05648,"moe2D_PEOE_VSA_FPOL":0.05648,"moe2D_PEOE_VSA_FPOS":0.4976,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":226.6,"moe2D_PEOE_VSA_NEG":120.7,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":119.5,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.9083,"moe2D_Q_VSA_FNEG":0.05648,"moe2D_Q_VSA_FPNEG":0.05648,"moe2D_Q_VSA_FPOL":0.0917,"moe2D_Q_VSA_FPOS":0.9435,"moe2D_Q_VSA_FPPOS":0.03521,"moe2D_Q_VSA_HYD":218.2,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":226.6,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":5.791,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":169.8,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":4.106,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":169.8,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.5895,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":3.294,"moe2D_VDistMa":7.002,"moe2D_Weight":184.3,"moe2D_a_IC":39.69,"moe2D_a_ICM":1.073,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":37,"moe2D_a_don":0,"moe2D_a_heavy":13,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":24,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":37.93,"moe2D_b_1rotN":9,"moe2D_b_1rotR":0.75,"moe2D_b_ar":0,"moe2D_b_count":36,"moe2D_b_double":1,"moe2D_b_heavy":12,"moe2D_b_rotN":9,"moe2D_b_rotR":0.75,"moe2D_b_single":35,"moe2D_b_triple":0,"moe2D_balabanJ":2.839,"moe2D_bpol":27.19,"moe2D_chi0":9.941,"moe2D_chi0_C":8.941,"moe2D_chi0v":9.272,"moe2D_chi0v_C":8.864,"moe2D_chi1":6.27,"moe2D_chi1_C":5.693,"moe2D_chi1v":5.765,"moe2D_chi1v_C":5.561,"moeGao_chi2_C":3.672,"moeGao_chi2v_C":3.578,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1443,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.635,"moeGao_chi3p_C":2.346,"moeGao_chi3pv":2.382,"moeGao_chi3pv_C":2.28,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.686,"moeGao_chi4ca_C":1.482,"moeGao_chi4cav":1.508,"moeGao_chi4cav_C":1.436,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1021,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.598,"moe2D_diameter":11,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.62,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.3389,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.925,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":11.29,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.108,"moe2D_logS":-4.26,"moe2D_mr":5.892,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":9,"moe2D_opr_violation":0,"moe2D_petitjean":0.4545,"moe2D_petitjeanSC":0.8333,"moe2D_radius":6,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":240.2,"moe2D_vdw_vol":308.2,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":201.1,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":354,"moe2D_weinerPol":10,"moe2D_zagreb":48}
{"Molecule":"2-ethoxyethylacetate(ethylene","moeGao_Abra_L":3.718,"moeGao_Abra_R":0.32,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.635,"moeGao_Abra_pi":0.743,"moe2D_BCUT_PEOE_0":-2.494,"moe2D_BCUT_PEOE_1":-0.181,"moe2D_BCUT_PEOE_2":0.05848,"moe2D_BCUT_PEOE_3":2.47,"moe2D_BCUT_SLOGP_0":-2.564,"moe2D_BCUT_SLOGP_1":-0.01205,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.419,"moe2D_BCUT_SMR_0":-2.26,"moe2D_BCUT_SMR_1":0.08624,"moe2D_BCUT_SMR_2":0.1062,"moe2D_BCUT_SMR_3":2.689,"moe2D_GCUT_PEOE_0":-0.8116,"moe2D_GCUT_PEOE_1":-0.3398,"moe2D_GCUT_PEOE_2":-0.1015,"moe2D_GCUT_PEOE_3":2.042,"moe2D_GCUT_SLOGP_0":-0.8856,"moe2D_GCUT_SLOGP_1":-0.2197,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.014,"moe2D_GCUT_SMR_0":-0.5188,"moe2D_GCUT_SMR_1":-0.1106,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.244,"moe2D_Kier1":9,"moe2D_Kier2":6.125,"moe2D_Kier3":8,"moe2D_KierA1":8.06,"moe2D_KierA2":5.401,"moe2D_KierA3":6.949,"moe2D_KierFlex":4.837,"moe2D_PEOE_PC.":0.9977,"moe2D_PEOE_PC..1":-0.9977,"moe2D_PEOE_RPC.":0.2597,"moe2D_PEOE_RPC..1":0.3786,"moe2D_PEOE_VSA.0":59.29,"moe2D_PEOE_VSA.1":55.49,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.8005,"moe2D_PEOE_VSA_FNEG":0.2237,"moe2D_PEOE_VSA_FPNEG":0.1113,"moe2D_PEOE_VSA_FPOL":0.1995,"moe2D_PEOE_VSA_FPOS":0.7763,"moe2D_PEOE_VSA_FPPOS":0.08817,"moe2D_PEOE_VSA_HYD":133.5,"moe2D_PEOE_VSA_NEG":37.32,"moe2D_PEOE_VSA_PNEG":18.57,"moe2D_PEOE_VSA_POL":33.28,"moe2D_PEOE_VSA_POS":129.5,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1.56,"moe2D_Q_PC..1":-1.56,"moe2D_Q_RPC.":0.4224,"moe2D_Q_RPC..1":0.3654,"moe2D_Q_VSA_FHYD":0.5316,"moe2D_Q_VSA_FNEG":0.1113,"moe2D_Q_VSA_FPNEG":0.1113,"moe2D_Q_VSA_FPOL":0.4684,"moe2D_Q_VSA_FPOS":0.8887,"moe2D_Q_VSA_FPPOS":0.3571,"moe2D_Q_VSA_HYD":88.68,"moe2D_Q_VSA_NEG":18.57,"moe2D_Q_VSA_PNEG":18.57,"moe2D_Q_VSA_POL":78.14,"moe2D_Q_VSA_POS":148.2,"moe2D_Q_VSA_PPOS":59.56,"moe2D_SMR":3.313,"moe2D_SMR_VSA0":45.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":70.52,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.586,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":45.86,"moe2D_SlogP_VSA3":62.78,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":35.53,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.673,"moe2D_VDistMa":5.931,"moe2D_Weight":132.2,"moe2D_a_IC":28.95,"moe2D_a_ICM":1.379,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":21,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":3,"moe2D_apol":20.97,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":20,"moe2D_b_double":1,"moe2D_b_heavy":8,"moe2D_b_rotN":5,"moe2D_b_rotR":0.625,"moe2D_b_single":19,"moe2D_b_triple":0,"moe2D_balabanJ":2.76,"moe2D_bpol":17.91,"moe2D_chi0":7.113,"moe2D_chi0_C":4.699,"moe2D_chi0v":5.846,"moe2D_chi0v_C":4.621,"moe2D_chi1":4.27,"moe2D_chi1_C":1.784,"moe2D_chi1v":2.981,"moe2D_chi1v_C":1.707,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.08333,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.635,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.7371,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.9794,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.3887,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.05893,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7223,"moe2D_diameter":7,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.13,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.2549,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.277,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.528,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":9.487,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.1957,"moe2D_logS":-0.4759,"moe2D_mr":3.477,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":166.8,"moe2D_vdw_vol":183,"moe2D_vsa_acc":16.07,"moe2D_vsa_don":0,"moe2D_vsa_hyd":125,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":16.07,"moe2D_weinerPath":114,"moe2D_weinerPol":6,"moe2D_zagreb":32}
{"Molecule":"2-ethyl-1-hexanol","moeGao_Abra_L":4.438,"moeGao_Abra_R":0.19,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.403,"moeGao_Abra_pi":0.41,"moe2D_BCUT_PEOE_0":-2.72,"moe2D_BCUT_PEOE_1":-0.1638,"moe2D_BCUT_PEOE_2":0.2352,"moe2D_BCUT_PEOE_3":2.667,"moe2D_BCUT_SLOGP_0":-2.637,"moe2D_BCUT_SLOGP_1":-0.07684,"moe2D_BCUT_SLOGP_2":0.2706,"moe2D_BCUT_SLOGP_3":2.782,"moe2D_BCUT_SMR_0":-2.474,"moe2D_BCUT_SMR_1":-0.07362,"moe2D_BCUT_SMR_2":0.3029,"moe2D_BCUT_SMR_3":2.913,"moe2D_GCUT_PEOE_0":-0.8023,"moe2D_GCUT_PEOE_1":-0.2089,"moe2D_GCUT_PEOE_2":-0.04861,"moe2D_GCUT_PEOE_3":2.415,"moe2D_GCUT_SLOGP_0":-0.8805,"moe2D_GCUT_SLOGP_1":-0.1163,"moe2D_GCUT_SLOGP_2":-0.02479,"moe2D_GCUT_SLOGP_3":2.519,"moe2D_GCUT_SMR_0":-0.5334,"moe2D_GCUT_SMR_1":-0.1082,"moe2D_GCUT_SMR_2":0.01629,"moe2D_GCUT_SMR_3":2.625,"moe2D_Kier1":9,"moe2D_Kier2":6.125,"moe2D_Kier3":4.5,"moe2D_KierA1":9,"moe2D_KierA2":6.125,"moe2D_KierA3":4.5,"moe2D_KierFlex":6.125,"moe2D_PEOE_PC.":0.751,"moe2D_PEOE_PC..1":-0.751,"moe2D_PEOE_RPC.":0.2788,"moe2D_PEOE_RPC..1":0.5256,"moe2D_PEOE_VSA.0":78.93,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":63.6,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8983,"moe2D_PEOE_VSA_FNEG":0.4502,"moe2D_PEOE_VSA_FPNEG":0.04367,"moe2D_PEOE_VSA_FPOL":0.1017,"moe2D_PEOE_VSA_FPOS":0.5498,"moe2D_PEOE_VSA_FPPOS":0.05805,"moe2D_PEOE_VSA_HYD":159.8,"moe2D_PEOE_VSA_NEG":80.07,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":97.79,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8142,"moe2D_Q_VSA_FNEG":0.04367,"moe2D_Q_VSA_FPNEG":0.04367,"moe2D_Q_VSA_FPOL":0.1858,"moe2D_Q_VSA_FPOS":0.9563,"moe2D_Q_VSA_FPPOS":0.1421,"moe2D_Q_VSA_HYD":144.8,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":170.1,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":4.039,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":4.411,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.195,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":4.411,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.461,"moe2D_VDistMa":5.975,"moe2D_Weight":130.2,"moe2D_a_IC":29.32,"moe2D_a_ICM":1.086,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":27,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":18,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":26.88,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.625,"moe2D_b_ar":0,"moe2D_b_count":26,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":5,"moe2D_b_rotR":0.625,"moe2D_b_single":26,"moe2D_b_triple":0,"moe2D_balabanJ":3.092,"moe2D_bpol":19.68,"moe2D_chi0":7.113,"moe2D_chi0_C":6.113,"moe2D_chi0v":6.56,"moe2D_chi0v_C":6.113,"moe2D_chi1":4.346,"moe2D_chi1_C":3.639,"moe2D_chi1v":3.955,"moe2D_chi1v_C":3.639,"moeGao_chi2_C":2.417,"moeGao_chi2v_C":2.417,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.2041,"moeGao_chi3cv_C":0.2041,"moeGao_chi3p":2.121,"moeGao_chi3p_C":1.543,"moeGao_chi3pv":1.801,"moeGao_chi3pv_C":1.543,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.19,"moeGao_chi4ca_C":0.6969,"moeGao_chi4cav":0.9173,"moeGao_chi4cav_C":0.6969,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.5526,"moeGao_chi4pc_C":0.3485,"moeGao_chi4pcv":0.4397,"moeGao_chi4pcv_C":0.3485,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.5978,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.32,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.753,"moe2D_kS_ssCH2":5.2,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.5601,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.677,"moe2D_logS":-2.18,"moe2D_mr":4.094,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":177.9,"moe2D_vdw_vol":217.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":146.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":104,"moe2D_weinerPol":8,"moe2D_zagreb":32}
{"Molecule":"2-fluorobenzaldehyde","moeGao_Abra_L":4.071,"moeGao_Abra_R":0.677,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.46,"moeGao_Abra_pi":1.099,"moe2D_BCUT_PEOE_0":-2.133,"moe2D_BCUT_PEOE_1":-0.6276,"moe2D_BCUT_PEOE_2":0.6448,"moe2D_BCUT_PEOE_3":2.165,"moe2D_BCUT_SLOGP_0":-2.06,"moe2D_BCUT_SLOGP_1":-0.4767,"moe2D_BCUT_SLOGP_2":0.7961,"moe2D_BCUT_SLOGP_3":2.256,"moe2D_BCUT_SMR_0":-1.835,"moe2D_BCUT_SMR_1":-0.4626,"moe2D_BCUT_SMR_2":0.8066,"moe2D_BCUT_SMR_3":2.462,"moe2D_GCUT_PEOE_0":-0.7347,"moe2D_GCUT_PEOE_1":-0.404,"moe2D_GCUT_PEOE_2":0.05909,"moe2D_GCUT_PEOE_3":1.927,"moe2D_GCUT_SLOGP_0":-0.7739,"moe2D_GCUT_SLOGP_1":-0.2432,"moe2D_GCUT_SLOGP_2":0.2085,"moe2D_GCUT_SLOGP_3":2.03,"moe2D_GCUT_SMR_0":-0.4026,"moe2D_GCUT_SMR_1":-0.2041,"moe2D_GCUT_SMR_2":0.1814,"moe2D_GCUT_SMR_3":2.211,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":1.704,"moe2D_KierA1":4.569,"moe2D_KierA2":1.948,"moe2D_KierA3":0.9594,"moe2D_KierFlex":0.9889,"moe2D_PEOE_PC.":0.6948,"moe2D_PEOE_PC..1":-0.6948,"moe2D_PEOE_RPC.":0.2201,"moe2D_PEOE_RPC..1":0.4254,"moe2D_PEOE_VSA.0":2.209,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":13.29,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":24.51,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":11.91,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.7971,"moe2D_PEOE_VSA_FNEG":0.5933,"moe2D_PEOE_VSA_FPNEG":0.2029,"moe2D_PEOE_VSA_FPOL":0.2029,"moe2D_PEOE_VSA_FPOS":0.4067,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":100.1,"moe2D_PEOE_VSA_NEG":74.5,"moe2D_PEOE_VSA_PNEG":25.48,"moe2D_PEOE_VSA_POL":25.48,"moe2D_PEOE_VSA_POS":51.06,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.36,"moe2D_Q_PC..1":-1.36,"moe2D_Q_RPC.":0.3116,"moe2D_Q_RPC..1":0.4191,"moe2D_Q_VSA_FHYD":0.7446,"moe2D_Q_VSA_FNEG":0.5933,"moe2D_Q_VSA_FPNEG":0.1081,"moe2D_Q_VSA_FPOL":0.2554,"moe2D_Q_VSA_FPOS":0.4067,"moe2D_Q_VSA_FPPOS":0.1474,"moe2D_Q_VSA_HYD":93.48,"moe2D_Q_VSA_NEG":74.5,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":51.06,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":3.179,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":14.96,"moe2D_SMR_VSA2":9.121,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":20.15,"moe2D_SlogP":1.638,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":29.27,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":14.96,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.075,"moe2D_VDistMa":6.017,"moe2D_Weight":124.1,"moe2D_a_IC":22.04,"moe2D_a_ICM":1.574,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":1,"moe2D_a_nH":5,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":17.01,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":1,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.363,"moe2D_bpol":7.627,"moe2D_chi0":6.69,"moe2D_chi0_C":4.69,"moe2D_chi0v":4.673,"moe2D_chi0v_C":3.887,"moe2D_chi1":4.343,"moe2D_chi1_C":3.058,"moe2D_chi1v":2.541,"moe2D_chi1v_C":2.116,"moeGao_chi2_C":2.28,"moeGao_chi2v_C":1.318,"moeGao_chi3c":0.4024,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.1379,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":2.813,"moeGao_chi3p_C":1.529,"moeGao_chi3pv":1.032,"moeGao_chi3pv_C":0.7331,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2,"moeGao_chi4ca_C":1.022,"moeGao_chi4cav":0.5707,"moeGao_chi4cav_C":0.4072,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.069,"moeGao_chi4pc_C":0.2357,"moeGao_chi4pcv":0.2562,"moeGao_chi4pcv_C":0.09623,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7874,"moe2D_diameter":5,"moe2D_kS_aaCH":5.848,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":-0.4653,"moe2D_kS_aasC":0.1088,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.987,"moe2D_kS_dsCH":0.4954,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":12.36,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.984,"moe2D_logS":-1.686,"moe2D_mr":3.381,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":125.6,"moe2D_vdw_vol":157.6,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":86.37,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":86,"moe2D_weinerPol":10,"moe2D_zagreb":40}
{"Molecule":"2-heptanone","moeGao_Abra_L":3.887,"moeGao_Abra_R":0.179,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.419,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.626,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.03414,"moe2D_BCUT_PEOE_3":2.585,"moe2D_BCUT_SLOGP_0":-2.49,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.73,"moe2D_BCUT_SMR_0":-2.38,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.834,"moe2D_GCUT_PEOE_0":-0.7964,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.1259,"moe2D_GCUT_PEOE_3":2.219,"moe2D_GCUT_SLOGP_0":-0.8108,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.333,"moe2D_GCUT_SMR_0":-0.5308,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.436,"moe2D_Kier1":8,"moe2D_Kier2":5.143,"moe2D_Kier3":7.2,"moe2D_KierA1":7.054,"moe2D_KierA2":4.443,"moe2D_KierA3":6.108,"moe2D_KierFlex":3.917,"moe2D_PEOE_PC.":0.5243,"moe2D_PEOE_PC..1":-0.5243,"moe2D_PEOE_RPC.":0.2486,"moe2D_PEOE_RPC..1":0.5679,"moe2D_PEOE_VSA.0":68.42,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":36.15,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9119,"moe2D_PEOE_VSA_FNEG":0.5009,"moe2D_PEOE_VSA_FPNEG":0.08807,"moe2D_PEOE_VSA_FPOL":0.08807,"moe2D_PEOE_VSA_FPOS":0.4991,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":140.5,"moe2D_PEOE_VSA_NEG":77.17,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":76.88,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.857,"moe2D_Q_VSA_FNEG":0.08807,"moe2D_Q_VSA_FPNEG":0.08807,"moe2D_Q_VSA_FPOL":0.143,"moe2D_Q_VSA_FPOS":0.9119,"moe2D_Q_VSA_FPPOS":0.05491,"moe2D_Q_VSA_HYD":132,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":140.5,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":3.482,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.156,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":2.462,"moe2D_VDistMa":5.587,"moe2D_Weight":114.2,"moe2D_a_IC":25.15,"moe2D_a_ICM":1.143,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":22,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":22.46,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.5714,"moe2D_b_ar":0,"moe2D_b_count":21,"moe2D_b_double":1,"moe2D_b_heavy":7,"moe2D_b_rotN":4,"moe2D_b_rotR":0.5714,"moe2D_b_single":20,"moe2D_b_triple":0,"moe2D_balabanJ":2.737,"moe2D_bpol":16.26,"moe2D_chi0":6.406,"moe2D_chi0_C":5.406,"moe2D_chi0v":5.737,"moe2D_chi0v_C":5.328,"moe2D_chi1":3.77,"moe2D_chi1_C":3.193,"moe2D_chi1v":3.265,"moe2D_chi1v_C":3.061,"moeGao_chi2_C":1.904,"moeGao_chi2v_C":1.811,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1443,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.385,"moeGao_chi3p_C":1.096,"moeGao_chi3pv":1.132,"moeGao_chi3pv_C":1.03,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.8026,"moeGao_chi4ca_C":0.5985,"moeGao_chi4cav":0.6239,"moeGao_chi4cav_C":0.5518,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1021,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6137,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.32,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.318,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.787,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":4.243,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.898,"moe2D_logS":-1.684,"moe2D_mr":3.584,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":154,"moe2D_vdw_vol":186.1,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":122.1,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":79,"moe2D_weinerPol":5,"moe2D_zagreb":28}
{"Molecule":"2-hexanone-methyl-n-butyl","moeGao_Abra_L":3.388,"moeGao_Abra_R":0.179,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.419,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.581,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.03414,"moe2D_BCUT_PEOE_3":2.553,"moe2D_BCUT_SLOGP_0":-2.462,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.684,"moe2D_BCUT_SMR_0":-2.339,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.799,"moe2D_GCUT_PEOE_0":-0.7897,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.1259,"moe2D_GCUT_PEOE_3":2.123,"moe2D_GCUT_SLOGP_0":-0.8108,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.225,"moe2D_GCUT_SMR_0":-0.5285,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.341,"moe2D_Kier1":7,"moe2D_Kier2":4.167,"moe2D_Kier3":6,"moe2D_KierA1":6.047,"moe2D_KierA2":3.498,"moe2D_KierA3":4.877,"moe2D_KierFlex":3.021,"moe2D_PEOE_PC.":0.4712,"moe2D_PEOE_PC..1":-0.4712,"moe2D_PEOE_RPC.":0.2766,"moe2D_PEOE_RPC..1":0.6318,"moe2D_PEOE_VSA.0":59.89,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":27.45,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9008,"moe2D_PEOE_VSA_FNEG":0.5004,"moe2D_PEOE_VSA_FPNEG":0.09917,"moe2D_PEOE_VSA_FPOL":0.09917,"moe2D_PEOE_VSA_FPOS":0.4996,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":123.2,"moe2D_PEOE_VSA_NEG":68.46,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":68.34,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.839,"moe2D_Q_VSA_FNEG":0.09917,"moe2D_Q_VSA_FPNEG":0.09917,"moe2D_Q_VSA_FPOL":0.161,"moe2D_Q_VSA_FPOS":0.9008,"moe2D_Q_VSA_FPPOS":0.06183,"moe2D_Q_VSA_HYD":114.8,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":123.2,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":3.021,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":56.61,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":1.766,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":56.61,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":2.213,"moe2D_VDistMa":5.196,"moe2D_Weight":100.2,"moe2D_a_IC":22.18,"moe2D_a_ICM":1.167,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":19,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":19.36,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":18,"moe2D_b_double":1,"moe2D_b_heavy":6,"moe2D_b_rotN":3,"moe2D_b_rotR":0.5,"moe2D_b_single":17,"moe2D_b_triple":0,"moe2D_balabanJ":2.714,"moe2D_bpol":14.08,"moe2D_chi0":5.699,"moe2D_chi0_C":4.699,"moe2D_chi0v":5.03,"moe2D_chi0v_C":4.621,"moe2D_chi1":3.27,"moe2D_chi1_C":2.693,"moe2D_chi1v":2.765,"moe2D_chi1v_C":2.561,"moeGao_chi2_C":1.55,"moeGao_chi2v_C":1.457,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1443,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.135,"moeGao_chi3p_C":0.8464,"moeGao_chi3pv":0.8824,"moeGao_chi3pv_C":0.7803,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6124,"moeGao_chi4ca_C":0.4082,"moeGao_chi4cav":0.4257,"moeGao_chi4cav_C":0.3536,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1021,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6196,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.2,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.3073,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.721,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":2.936,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.456,"moe2D_logS":-1.169,"moe2D_mr":3.121,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":136.8,"moe2D_vdw_vol":161.6,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":106.2,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":52,"moe2D_weinerPol":4,"moe2D_zagreb":24}
{"Molecule":"2-hydroxy-46-dimethoxybenzaldehyde","moeGao_Abra_L":5.487,"moeGao_Abra_R":0.984,"moeGao_Abra_acidity":0.155,"moeGao_Abra_basicity":0.302,"moeGao_Abra_pi":0.878,"moe2D_BCUT_PEOE_0":-2.285,"moe2D_BCUT_PEOE_1":-0.4871,"moe2D_BCUT_PEOE_2":0.4115,"moe2D_BCUT_PEOE_3":2.27,"moe2D_BCUT_SLOGP_0":-2.272,"moe2D_BCUT_SLOGP_1":-0.4385,"moe2D_BCUT_SLOGP_2":0.4864,"moe2D_BCUT_SLOGP_3":2.444,"moe2D_BCUT_SMR_0":-2.003,"moe2D_BCUT_SMR_1":-0.2497,"moe2D_BCUT_SMR_2":0.6099,"moe2D_BCUT_SMR_3":2.559,"moe2D_GCUT_PEOE_0":-0.7906,"moe2D_GCUT_PEOE_1":-0.4405,"moe2D_GCUT_PEOE_2":-0.06907,"moe2D_GCUT_PEOE_3":2.168,"moe2D_GCUT_SLOGP_0":-0.8903,"moe2D_GCUT_SLOGP_1":-0.3571,"moe2D_GCUT_SLOGP_2":0.06029,"moe2D_GCUT_SLOGP_3":2.328,"moe2D_GCUT_SMR_0":-0.4871,"moe2D_GCUT_SMR_1":-0.1797,"moe2D_GCUT_SMR_2":0.09957,"moe2D_GCUT_SMR_3":2.444,"moe2D_Kier1":11.08,"moe2D_Kier2":5.024,"moe2D_Kier3":2.479,"moe2D_KierA1":8.411,"moe2D_KierA2":3.718,"moe2D_KierA3":1.795,"moe2D_KierFlex":2.406,"moe2D_PEOE_PC.":1.351,"moe2D_PEOE_PC..1":-1.351,"moe2D_PEOE_RPC.":0.1609,"moe2D_PEOE_RPC..1":0.2657,"moe2D_PEOE_VSA.0":50,"moe2D_PEOE_VSA.1":61.71,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":12.78,"moe2D_PEOE_VSA_FHYD":0.8126,"moe2D_PEOE_VSA_FNEG":0.2599,"moe2D_PEOE_VSA_FPNEG":0.1346,"moe2D_PEOE_VSA_FPOL":0.1874,"moe2D_PEOE_VSA_FPOS":0.7401,"moe2D_PEOE_VSA_FPPOS":0.05277,"moe2D_PEOE_VSA_HYD":159,"moe2D_PEOE_VSA_NEG":50.85,"moe2D_PEOE_VSA_PNEG":26.34,"moe2D_PEOE_VSA_POL":36.67,"moe2D_PEOE_VSA_POS":144.8,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":2.127,"moe2D_Q_PC..1":-2.127,"moe2D_Q_RPC.":0.2115,"moe2D_Q_RPC..1":0.2679,"moe2D_Q_VSA_FHYD":0.4625,"moe2D_Q_VSA_FNEG":0.2599,"moe2D_Q_VSA_FPNEG":0.1346,"moe2D_Q_VSA_FPOL":0.5375,"moe2D_Q_VSA_FPOS":0.7401,"moe2D_Q_VSA_FPPOS":0.4029,"moe2D_Q_VSA_HYD":90.48,"moe2D_Q_VSA_NEG":50.85,"moe2D_Q_VSA_PNEG":26.34,"moe2D_Q_VSA_POL":105.2,"moe2D_Q_VSA_POS":144.8,"moe2D_Q_VSA_PPOS":78.82,"moe2D_SMR":4.66,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":47.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":18.92,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":35.29,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":90.91,"moe2D_SlogP":1.222,"moe2D_SlogP_VSA0":47.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":70.77,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":35.29,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":15.73,"moe2D_TPSA":55.76,"moe2D_VAdjEq":0.6194,"moe2D_VAdjMa":4.7,"moe2D_VDistEq":2.496,"moe2D_VDistMa":7.117,"moe2D_Weight":182.2,"moe2D_a_IC":34.29,"moe2D_a_ICM":1.491,"moe2D_a_acc":4,"moe2D_a_aro":6,"moe2D_a_count":23,"moe2D_a_don":1,"moe2D_a_heavy":13,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":25.72,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.2308,"moe2D_b_ar":6,"moe2D_b_count":23,"moe2D_b_double":1,"moe2D_b_heavy":13,"moe2D_b_rotN":3,"moe2D_b_rotR":0.2308,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":2.601,"moe2D_bpol":15.72,"moe2D_chi0":9.845,"moe2D_chi0_C":6.431,"moe2D_chi0v":7.404,"moe2D_chi0v_C":5.732,"moe2D_chi1":6.223,"moe2D_chi1_C":2.708,"moe2D_chi1v":3.627,"moe2D_chi1v_C":1.943,"moeGao_chi2_C":1.895,"moeGao_chi2v_C":1.158,"moeGao_chi3c":0.7426,"moeGao_chi3c_C":0.1361,"moeGao_chi3cv":0.2637,"moeGao_chi3cv_C":0.07217,"moeGao_chi3p":4.251,"moeGao_chi3p_C":1.211,"moeGao_chi3pv":1.667,"moeGao_chi3pv_C":0.622,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.403,"moeGao_chi4ca_C":0.7345,"moeGao_chi4cav":0.9925,"moeGao_chi4cav_C":0.3222,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.916,"moeGao_chi4pc_C":0.1925,"moeGao_chi4pcv":0.5643,"moeGao_chi4pcv_C":0.08333,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7813,"moe2D_diameter":7,"moe2D_kS_aaCH":2.885,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.7234,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.53,"moe2D_kS_dsCH":0.5353,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.885,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.343,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":9.769,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.507,"moe2D_logS":-1.13,"moe2D_mr":4.721,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":195.6,"moe2D_vdw_vol":233.2,"moe2D_vsa_acc":18.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":130.5,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":32.14,"moe2D_weinerPath":238,"moe2D_weinerPol":19,"moe2D_zagreb":60}
{"Molecule":"2-hydroxy-5-bromobenzaldehyde","moeGao_Abra_L":5.839,"moeGao_Abra_R":1.276,"moeGao_Abra_acidity":0.331,"moeGao_Abra_basicity":0.335,"moeGao_Abra_pi":1.214,"moe2D_BCUT_PEOE_0":-2.16,"moe2D_BCUT_PEOE_1":-0.6549,"moe2D_BCUT_PEOE_2":0.6746,"moe2D_BCUT_PEOE_3":2.175,"moe2D_BCUT_SLOGP_0":-2.035,"moe2D_BCUT_SLOGP_1":-0.4181,"moe2D_BCUT_SLOGP_2":0.8873,"moe2D_BCUT_SLOGP_3":2.361,"moe2D_BCUT_SMR_0":-1.84,"moe2D_BCUT_SMR_1":-0.3437,"moe2D_BCUT_SMR_2":1.001,"moe2D_BCUT_SMR_3":2.502,"moe2D_GCUT_PEOE_0":-0.759,"moe2D_GCUT_PEOE_1":-0.4135,"moe2D_GCUT_PEOE_2":0.09446,"moe2D_GCUT_PEOE_3":1.96,"moe2D_GCUT_SLOGP_0":-0.7744,"moe2D_GCUT_SLOGP_1":-0.2423,"moe2D_GCUT_SLOGP_2":0.2617,"moe2D_GCUT_SLOGP_3":2.146,"moe2D_GCUT_SMR_0":-0.4275,"moe2D_GCUT_SMR_1":-0.1748,"moe2D_GCUT_SMR_2":0.4041,"moe2D_GCUT_SMR_3":2.283,"moe2D_Kier1":8.1,"moe2D_Kier2":3.408,"moe2D_Kier3":1.991,"moe2D_KierA1":7.34,"moe2D_KierA2":3.052,"moe2D_KierA3":1.765,"moe2D_KierFlex":2.24,"moe2D_PEOE_PC.":0.8156,"moe2D_PEOE_PC..1":-0.8156,"moe2D_PEOE_RPC.":0.2665,"moe2D_PEOE_RPC..1":0.4403,"moe2D_PEOE_VSA.0":4.461,"moe2D_PEOE_VSA.1":21.25,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":43.62,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8028,"moe2D_PEOE_VSA_FNEG":0.6337,"moe2D_PEOE_VSA_FPNEG":0.1329,"moe2D_PEOE_VSA_FPOL":0.1972,"moe2D_PEOE_VSA_FPOS":0.3663,"moe2D_PEOE_VSA_FPPOS":0.06431,"moe2D_PEOE_VSA_HYD":128.9,"moe2D_PEOE_VSA_NEG":101.7,"moe2D_PEOE_VSA_PNEG":21.33,"moe2D_PEOE_VSA_POL":31.66,"moe2D_PEOE_VSA_POS":58.81,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.663,"moe2D_Q_PC..1":-1.663,"moe2D_Q_RPC.":0.2705,"moe2D_Q_RPC..1":0.3427,"moe2D_Q_VSA_FHYD":0.6875,"moe2D_Q_VSA_FNEG":0.6337,"moe2D_Q_VSA_FPNEG":0.1329,"moe2D_Q_VSA_FPOL":0.3125,"moe2D_Q_VSA_FPOS":0.3663,"moe2D_Q_VSA_FPPOS":0.1796,"moe2D_Q_VSA_HYD":110.4,"moe2D_Q_VSA_NEG":101.7,"moe2D_Q_VSA_PNEG":21.33,"moe2D_Q_VSA_POL":50.16,"moe2D_Q_VSA_POS":58.81,"moe2D_Q_VSA_PPOS":28.83,"moe2D_SMR":4.119,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":3.055,"moe2D_SMR_VSA3":8.429,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.1,"moe2D_SlogP":1.967,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":3.055,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":51.2,"moe2D_TPSA":37.3,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.186,"moe2D_VDistMa":6.333,"moe2D_Weight":201,"moe2D_a_IC":25.34,"moe2D_a_ICM":1.689,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":15,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":7,"moe2D_a_nBr":1,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":20.31,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1,"moe2D_b_ar":6,"moe2D_b_count":15,"moe2D_b_double":1,"moe2D_b_heavy":10,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.431,"moe2D_bpol":7.714,"moe2D_chi0":7.56,"moe2D_chi0_C":4.56,"moe2D_chi0v":6.629,"moe2D_chi0v_C":3.809,"moe2D_chi1":4.736,"moe2D_chi1_C":2.875,"moe2D_chi1v":3.468,"moe2D_chi1v_C":2.027,"moeGao_chi2_C":2.098,"moeGao_chi2v_C":1.244,"moeGao_chi3c":0.691,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.4752,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":3.149,"moeGao_chi3p_C":1.34,"moeGao_chi3pv":1.61,"moeGao_chi3pv_C":0.6684,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.219,"moeGao_chi4ca_C":0.8779,"moeGao_chi4cav":0.9986,"moeGao_chi4cav_C":0.3656,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.418,"moeGao_chi4pc_C":0.2141,"moeGao_chi4pcv":0.6255,"moeGao_chi4pcv_C":0.08978,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.047,"moe2D_diameter":5,"moe2D_kS_aaCH":4.693,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.7846,"moe2D_kS_aasC":0.3126,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.2,"moe2D_kS_dsCH":0.6112,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":3.167,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.983,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.358,"moe2D_logS":-2.119,"moe2D_mr":4.189,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":160.5,"moe2D_vdw_vol":192,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":104,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":115,"moe2D_weinerPol":12,"moe2D_zagreb":46}
{"Molecule":"2-hydroxy-5-chlorobenzaldehyde","moeGao_Abra_L":5.411,"moeGao_Abra_R":1.103,"moeGao_Abra_acidity":0.331,"moeGao_Abra_basicity":0.346,"moeGao_Abra_pi":1.135,"moe2D_BCUT_PEOE_0":-2.157,"moe2D_BCUT_PEOE_1":-0.6602,"moe2D_BCUT_PEOE_2":0.6705,"moe2D_BCUT_PEOE_3":2.177,"moe2D_BCUT_SLOGP_0":-2.034,"moe2D_BCUT_SLOGP_1":-0.4312,"moe2D_BCUT_SLOGP_2":0.8638,"moe2D_BCUT_SLOGP_3":2.359,"moe2D_BCUT_SMR_0":-1.841,"moe2D_BCUT_SMR_1":-0.3875,"moe2D_BCUT_SMR_2":0.9393,"moe2D_BCUT_SMR_3":2.495,"moe2D_GCUT_PEOE_0":-0.7589,"moe2D_GCUT_PEOE_1":-0.4186,"moe2D_GCUT_PEOE_2":0.0901,"moe2D_GCUT_PEOE_3":1.962,"moe2D_GCUT_SLOGP_0":-0.7744,"moe2D_GCUT_SLOGP_1":-0.2405,"moe2D_GCUT_SLOGP_2":0.2587,"moe2D_GCUT_SLOGP_3":2.14,"moe2D_GCUT_SMR_0":-0.4275,"moe2D_GCUT_SMR_1":-0.1747,"moe2D_GCUT_SMR_2":0.3479,"moe2D_GCUT_SMR_3":2.269,"moe2D_Kier1":8.1,"moe2D_Kier2":3.408,"moe2D_Kier3":1.991,"moe2D_KierA1":6.578,"moe2D_KierA2":2.696,"moe2D_KierA3":1.542,"moe2D_KierFlex":1.774,"moe2D_PEOE_PC.":0.8398,"moe2D_PEOE_PC..1":-0.8398,"moe2D_PEOE_RPC.":0.2588,"moe2D_PEOE_RPC..1":0.4277,"moe2D_PEOE_VSA.0":6.728,"moe2D_PEOE_VSA.1":21.25,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":29.58,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.7872,"moe2D_PEOE_VSA_FNEG":0.5894,"moe2D_PEOE_VSA_FPNEG":0.1434,"moe2D_PEOE_VSA_FPOL":0.2128,"moe2D_PEOE_VSA_FPOS":0.4106,"moe2D_PEOE_VSA_FPPOS":0.0694,"moe2D_PEOE_VSA_HYD":117.1,"moe2D_PEOE_VSA_NEG":87.68,"moe2D_PEOE_VSA_PNEG":21.33,"moe2D_PEOE_VSA_POL":31.66,"moe2D_PEOE_VSA_POS":61.08,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.729,"moe2D_Q_PC..1":-1.73,"moe2D_Q_RPC.":0.2602,"moe2D_Q_RPC..1":0.3296,"moe2D_Q_VSA_FHYD":0.6628,"moe2D_Q_VSA_FNEG":0.5894,"moe2D_Q_VSA_FPNEG":0.1434,"moe2D_Q_VSA_FPOL":0.3372,"moe2D_Q_VSA_FPOS":0.4106,"moe2D_Q_VSA_FPPOS":0.1938,"moe2D_Q_VSA_HYD":98.6,"moe2D_Q_VSA_NEG":87.68,"moe2D_Q_VSA_PNEG":21.33,"moe2D_Q_VSA_POL":50.16,"moe2D_Q_VSA_POS":61.08,"moe2D_Q_VSA_PPOS":28.83,"moe2D_SMR":3.85,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":11.93,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":59.29,"moe2D_SlogP":1.858,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":44.39,"moe2D_TPSA":37.3,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.186,"moe2D_VDistMa":6.333,"moe2D_Weight":156.6,"moe2D_a_IC":25.34,"moe2D_a_ICM":1.689,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":15,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":19.44,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1,"moe2D_b_ar":6,"moe2D_b_count":15,"moe2D_b_double":1,"moe2D_b_heavy":10,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.431,"moe2D_bpol":6.844,"moe2D_chi0":7.56,"moe2D_chi0_C":4.56,"moe2D_chi0v":5.799,"moe2D_chi0v_C":3.809,"moe2D_chi1":4.736,"moe2D_chi1_C":2.875,"moe2D_chi1v":3.053,"moe2D_chi1v_C":2.027,"moeGao_chi2_C":2.098,"moeGao_chi2v_C":1.244,"moeGao_chi3c":0.691,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.3369,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":3.149,"moeGao_chi3p_C":1.34,"moeGao_chi3pv":1.352,"moeGao_chi3pv_C":0.6684,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.219,"moeGao_chi4ca_C":0.8779,"moeGao_chi4cav":0.8003,"moeGao_chi4cav_C":0.3656,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.418,"moeGao_chi4pc_C":0.2141,"moeGao_chi4pcv":0.4765,"moeGao_chi4pcv_C":0.08978,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8749,"moe2D_diameter":5,"moe2D_kS_aaCH":4.305,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.4444,"moe2D_kS_aasC":0.1731,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.16,"moe2D_kS_dsCH":0.5568,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.526,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.945,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.152,"moe2D_logS":-1.763,"moe2D_mr":3.94,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":148.8,"moe2D_vdw_vol":179,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":92.19,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":115,"moe2D_weinerPol":12,"moe2D_zagreb":46}
{"Molecule":"2-hydroxybenzaldehyde(salicylaldehyde)","moeGao_Abra_L":4.587,"moeGao_Abra_R":0.968,"moeGao_Abra_acidity":0.155,"moeGao_Abra_basicity":0.38,"moeGao_Abra_pi":1.002,"moe2D_BCUT_PEOE_0":-2.169,"moe2D_BCUT_PEOE_1":-0.6389,"moe2D_BCUT_PEOE_2":0.6907,"moe2D_BCUT_PEOE_3":2.166,"moe2D_BCUT_SLOGP_0":-2.046,"moe2D_BCUT_SLOGP_1":-0.5514,"moe2D_BCUT_SLOGP_2":0.7537,"moe2D_BCUT_SLOGP_3":2.332,"moe2D_BCUT_SMR_0":-1.853,"moe2D_BCUT_SMR_1":-0.4924,"moe2D_BCUT_SMR_2":0.8345,"moe2D_BCUT_SMR_3":2.482,"moe2D_GCUT_PEOE_0":-0.7592,"moe2D_GCUT_PEOE_1":-0.4063,"moe2D_GCUT_PEOE_2":0.1162,"moe2D_GCUT_PEOE_3":1.953,"moe2D_GCUT_SLOGP_0":-0.7744,"moe2D_GCUT_SLOGP_1":-0.2729,"moe2D_GCUT_SLOGP_2":0.1542,"moe2D_GCUT_SLOGP_3":2.104,"moe2D_GCUT_SMR_0":-0.4276,"moe2D_GCUT_SMR_1":-0.2131,"moe2D_GCUT_SMR_2":0.2221,"moe2D_GCUT_SMR_3":2.25,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":1.704,"moe2D_KierA1":4.682,"moe2D_KierA2":2.004,"moe2D_KierA3":0.9912,"moe2D_KierFlex":1.043,"moe2D_PEOE_PC.":0.8553,"moe2D_PEOE_PC..1":-0.8553,"moe2D_PEOE_RPC.":0.2541,"moe2D_PEOE_RPC..1":0.4199,"moe2D_PEOE_VSA.0":2.209,"moe2D_PEOE_VSA.1":25.52,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":24.51,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.7587,"moe2D_PEOE_VSA_FNEG":0.5363,"moe2D_PEOE_VSA_FPNEG":0.1626,"moe2D_PEOE_VSA_FPOL":0.2413,"moe2D_PEOE_VSA_FPOS":0.4637,"moe2D_PEOE_VSA_FPPOS":0.0787,"moe2D_PEOE_VSA_HYD":99.52,"moe2D_PEOE_VSA_NEG":70.35,"moe2D_PEOE_VSA_PNEG":21.33,"moe2D_PEOE_VSA_POL":31.66,"moe2D_PEOE_VSA_POS":60.82,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.702,"moe2D_Q_PC..1":-1.703,"moe2D_Q_RPC.":0.2643,"moe2D_Q_RPC..1":0.3348,"moe2D_Q_VSA_FHYD":0.6176,"moe2D_Q_VSA_FNEG":0.5363,"moe2D_Q_VSA_FPNEG":0.1626,"moe2D_Q_VSA_FPOL":0.3824,"moe2D_Q_VSA_FPOS":0.4637,"moe2D_Q_VSA_FPPOS":0.2198,"moe2D_Q_VSA_HYD":81.01,"moe2D_Q_VSA_NEG":70.35,"moe2D_Q_VSA_PNEG":21.33,"moe2D_Q_VSA_POL":50.16,"moe2D_Q_VSA_POS":60.82,"moe2D_Q_VSA_PPOS":28.83,"moe2D_SMR":3.349,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":8.429,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":20.15,"moe2D_SlogP":1.205,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":5.243,"moe2D_TPSA":37.3,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.075,"moe2D_VDistMa":6.017,"moe2D_Weight":122.1,"moe2D_a_IC":21.44,"moe2D_a_ICM":1.429,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":15,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":17.92,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":15,"moe2D_b_double":1,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.363,"moe2D_bpol":7.517,"moe2D_chi0":6.69,"moe2D_chi0_C":4.69,"moe2D_chi0v":4.742,"moe2D_chi0v_C":3.887,"moe2D_chi1":4.343,"moe2D_chi1_C":3.058,"moe2D_chi1v":2.575,"moe2D_chi1v_C":2.116,"moeGao_chi2_C":2.28,"moeGao_chi2v_C":1.318,"moeGao_chi3c":0.4024,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.1479,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":2.813,"moeGao_chi3p_C":1.529,"moeGao_chi3pv":1.064,"moeGao_chi3pv_C":0.7331,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2,"moeGao_chi4ca_C":1.022,"moeGao_chi4cav":0.5872,"moeGao_chi4cav_C":0.4072,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.069,"moeGao_chi4pc_C":0.2357,"moeGao_chi4pcv":0.2793,"moeGao_chi4pcv_C":0.09623,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7492,"moe2D_diameter":5,"moe2D_kS_aaCH":6.401,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.3657,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.07,"moe2D_kS_dsCH":0.6204,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.879,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.523,"moe2D_logS":-1.029,"moe2D_mr":3.464,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":131.2,"moe2D_vdw_vol":163,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":73.9,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":86,"moe2D_weinerPol":10,"moe2D_zagreb":40}
{"Molecule":"2-hydroxyethylacrylate","moeGao_Abra_L":3.53,"moeGao_Abra_R":0.627,"moeGao_Abra_acidity":0.286,"moeGao_Abra_basicity":0.747,"moeGao_Abra_pi":0.853,"moe2D_BCUT_PEOE_0":-2.384,"moe2D_BCUT_PEOE_1":-0.6141,"moe2D_BCUT_PEOE_2":0.6211,"moe2D_BCUT_PEOE_3":2.4,"moe2D_BCUT_SLOGP_0":-2.519,"moe2D_BCUT_SLOGP_1":-0.5636,"moe2D_BCUT_SLOGP_2":0.5769,"moe2D_BCUT_SLOGP_3":2.264,"moe2D_BCUT_SMR_0":-2.167,"moe2D_BCUT_SMR_1":-0.4471,"moe2D_BCUT_SMR_2":0.7788,"moe2D_BCUT_SMR_3":2.607,"moe2D_GCUT_PEOE_0":-0.7896,"moe2D_GCUT_PEOE_1":-0.4145,"moe2D_GCUT_PEOE_2":0.09256,"moe2D_GCUT_PEOE_3":1.865,"moe2D_GCUT_SLOGP_0":-0.9091,"moe2D_GCUT_SLOGP_1":-0.3006,"moe2D_GCUT_SLOGP_2":-0.00041,"moe2D_GCUT_SLOGP_3":1.801,"moe2D_GCUT_SMR_0":-0.5151,"moe2D_GCUT_SMR_1":-0.2211,"moe2D_GCUT_SMR_2":0.2229,"moe2D_GCUT_SMR_3":2.083,"moe2D_Kier1":8,"moe2D_Kier2":5.143,"moe2D_Kier3":5,"moe2D_KierA1":6.297,"moe2D_KierA2":3.889,"moe2D_KierA3":3.65,"moe2D_KierFlex":3.062,"moe2D_PEOE_PC.":1.055,"moe2D_PEOE_PC..1":-1.055,"moe2D_PEOE_RPC.":0.2711,"moe2D_PEOE_RPC..1":0.3722,"moe2D_PEOE_VSA.0":12.25,"moe2D_PEOE_VSA.1":59.76,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":22.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":10.27,"moe2D_PEOE_VSA_FHYD":0.6587,"moe2D_PEOE_VSA_FNEG":0.3222,"moe2D_PEOE_VSA_FPNEG":0.1665,"moe2D_PEOE_VSA_FPOL":0.3413,"moe2D_PEOE_VSA_FPOS":0.6778,"moe2D_PEOE_VSA_FPPOS":0.1748,"moe2D_PEOE_VSA_HYD":94.32,"moe2D_PEOE_VSA_NEG":46.14,"moe2D_PEOE_VSA_PNEG":23.84,"moe2D_PEOE_VSA_POL":48.87,"moe2D_PEOE_VSA_POS":97.05,"moe2D_PEOE_VSA_PPOS":25.03,"moe2D_Q_PC.":2.116,"moe2D_Q_PC..1":-2.116,"moe2D_Q_RPC.":0.3335,"moe2D_Q_RPC..1":0.3214,"moe2D_Q_VSA_FHYD":0.2941,"moe2D_Q_VSA_FNEG":0.4078,"moe2D_Q_VSA_FPNEG":0.3222,"moe2D_Q_VSA_FPOL":0.7059,"moe2D_Q_VSA_FPOS":0.5922,"moe2D_Q_VSA_FPPOS":0.3837,"moe2D_Q_VSA_HYD":42.11,"moe2D_Q_VSA_NEG":58.39,"moe2D_Q_VSA_PNEG":46.14,"moe2D_Q_VSA_POL":101.1,"moe2D_Q_VSA_POS":84.79,"moe2D_Q_VSA_PPOS":54.94,"moe2D_SMR":2.824,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":17.64,"moe2D_SMR_VSA6":49.6,"moe2D_SMR_VSA7":32.1,"moe2D_SlogP":-0.2921,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":17.64,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":32.1,"moe2D_TPSA":46.53,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":2.394,"moe2D_VDistMa":5.605,"moe2D_Weight":116.1,"moe2D_a_IC":23.64,"moe2D_a_ICM":1.477,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":3,"moe2D_apol":16.54,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.4286,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":2,"moe2D_b_heavy":7,"moe2D_b_rotN":4,"moe2D_b_rotR":0.5714,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.907,"moe2D_bpol":11.62,"moe2D_chi0":6.406,"moe2D_chi0_C":3.699,"moe2D_chi0v":4.462,"moe2D_chi0v_C":3.199,"moe2D_chi1":3.808,"moe2D_chi1_C":1.615,"moe2D_chi1v":2.21,"moe2D_chi1v_C":1.197,"moeGao_chi2_C":0.4082,"moeGao_chi2v_C":0.2041,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.04811,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.747,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.5023,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.7567,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2052,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.06804,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7715,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":3.157,"moe2D_kS_dO":10.12,"moe2D_kS_dsCH":1.051,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.5009,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.099,"moe2D_kS_ssCH2":-0.09282,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.333,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.027,"moe2D_logS":-0.2924,"moe2D_mr":2.941,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":143.2,"moe2D_vdw_vol":150.5,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":89.33,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":76,"moe2D_weinerPol":6,"moe2D_zagreb":28}
{"Molecule":"2-hydroxyethylmethacrylate","moeGao_Abra_L":4.006,"moeGao_Abra_R":0.635,"moeGao_Abra_acidity":0.286,"moeGao_Abra_basicity":0.743,"moeGao_Abra_pi":0.829,"moe2D_BCUT_PEOE_0":-2.394,"moe2D_BCUT_PEOE_1":-0.228,"moe2D_BCUT_PEOE_2":0.05888,"moe2D_BCUT_PEOE_3":2.411,"moe2D_BCUT_SLOGP_0":-2.522,"moe2D_BCUT_SLOGP_1":-0.1009,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.346,"moe2D_BCUT_SMR_0":-2.173,"moe2D_BCUT_SMR_1":0.04056,"moe2D_BCUT_SMR_2":0.1987,"moe2D_BCUT_SMR_3":2.628,"moe2D_GCUT_PEOE_0":-0.7896,"moe2D_GCUT_PEOE_1":-0.3568,"moe2D_GCUT_PEOE_2":-0.1011,"moe2D_GCUT_PEOE_3":1.98,"moe2D_GCUT_SLOGP_0":-0.9091,"moe2D_GCUT_SLOGP_1":-0.2699,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.966,"moe2D_GCUT_SMR_0":-0.5155,"moe2D_GCUT_SMR_1":-0.1308,"moe2D_GCUT_SMR_2":-0.02502,"moe2D_GCUT_SMR_3":2.207,"moe2D_Kier1":9,"moe2D_Kier2":4.84,"moe2D_Kier3":4.5,"moe2D_KierA1":7.3,"moe2D_KierA2":3.809,"moe2D_KierA3":3.44,"moe2D_KierFlex":3.09,"moe2D_PEOE_PC.":1.086,"moe2D_PEOE_PC..1":-1.086,"moe2D_PEOE_RPC.":0.266,"moe2D_PEOE_RPC..1":0.3615,"moe2D_PEOE_VSA.0":15,"moe2D_PEOE_VSA.1":55.49,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":22.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":10.27,"moe2D_PEOE_VSA_FHYD":0.6954,"moe2D_PEOE_VSA_FNEG":0.4045,"moe2D_PEOE_VSA_FPNEG":0.1486,"moe2D_PEOE_VSA_FPOL":0.3046,"moe2D_PEOE_VSA_FPOS":0.5955,"moe2D_PEOE_VSA_FPPOS":0.156,"moe2D_PEOE_VSA_HYD":111.5,"moe2D_PEOE_VSA_NEG":64.89,"moe2D_PEOE_VSA_PNEG":23.84,"moe2D_PEOE_VSA_POL":48.87,"moe2D_PEOE_VSA_POS":95.53,"moe2D_PEOE_VSA_PPOS":25.03,"moe2D_Q_PC.":2.104,"moe2D_Q_PC..1":-2.104,"moe2D_Q_RPC.":0.3354,"moe2D_Q_RPC..1":0.3232,"moe2D_Q_VSA_FHYD":0.3699,"moe2D_Q_VSA_FNEG":0.3014,"moe2D_Q_VSA_FPNEG":0.2876,"moe2D_Q_VSA_FPOL":0.6301,"moe2D_Q_VSA_FPOS":0.6986,"moe2D_Q_VSA_FPPOS":0.3424,"moe2D_Q_VSA_HYD":59.34,"moe2D_Q_VSA_NEG":48.35,"moe2D_Q_VSA_PNEG":46.14,"moe2D_Q_VSA_POL":101.1,"moe2D_Q_VSA_POS":112.1,"moe2D_Q_VSA_PPOS":54.94,"moe2D_SMR":3.286,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":49.6,"moe2D_SMR_VSA7":65.43,"moe2D_SlogP":0.098,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":3.186,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":65.43,"moe2D_TPSA":46.53,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.444,"moe2D_VDistMa":5.971,"moe2D_Weight":130.1,"moe2D_a_IC":27.23,"moe2D_a_ICM":1.433,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":3,"moe2D_apol":19.63,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.375,"moe2D_b_ar":0,"moe2D_b_count":18,"moe2D_b_double":2,"moe2D_b_heavy":8,"moe2D_b_rotN":4,"moe2D_b_rotR":0.5,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":3.201,"moe2D_bpol":13.81,"moe2D_chi0":7.276,"moe2D_chi0_C":4.569,"moe2D_chi0v":5.385,"moe2D_chi0v_C":4.121,"moe2D_chi1":4.181,"moe2D_chi1_C":1.988,"moe2D_chi1v":2.617,"moe2D_chi1v_C":1.604,"moeGao_chi2_C":1.244,"moeGao_chi2v_C":0.7803,"moeGao_chi3c":0.569,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.2184,"moeGao_chi3cv_C":0.1768,"moeGao_chi3p":2.151,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.6729,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.8594,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2615,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.207,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2449,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.744,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":3.352,"moe2D_kS_dO":10.47,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.1042,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.555,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.19,"moe2D_kS_ssCH2":-0.09255,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.464,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.071,"moe2D_logS":-0.3094,"moe2D_mr":3.384,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":160.4,"moe2D_vdw_vol":174.9,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":105.1,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":102,"moe2D_weinerPol":8,"moe2D_zagreb":34}
{"Molecule":"2-hydroxypropylacrylate-(propylene","moeGao_Abra_L":3.851,"moeGao_Abra_R":0.612,"moeGao_Abra_acidity":0.286,"moeGao_Abra_basicity":0.765,"moeGao_Abra_pi":0.814,"moe2D_BCUT_PEOE_0":-2.5,"moe2D_BCUT_PEOE_1":-0.4933,"moe2D_BCUT_PEOE_2":0.5944,"moe2D_BCUT_PEOE_3":2.51,"moe2D_BCUT_SLOGP_0":-2.596,"moe2D_BCUT_SLOGP_1":-0.5428,"moe2D_BCUT_SLOGP_2":0.4803,"moe2D_BCUT_SLOGP_3":2.439,"moe2D_BCUT_SMR_0":-2.281,"moe2D_BCUT_SMR_1":-0.3981,"moe2D_BCUT_SMR_2":0.6767,"moe2D_BCUT_SMR_3":2.72,"moe2D_GCUT_PEOE_0":-0.7917,"moe2D_GCUT_PEOE_1":-0.4144,"moe2D_GCUT_PEOE_2":0.09062,"moe2D_GCUT_PEOE_3":2.02,"moe2D_GCUT_SLOGP_0":-0.9096,"moe2D_GCUT_SLOGP_1":-0.3006,"moe2D_GCUT_SLOGP_2":-0.00838,"moe2D_GCUT_SLOGP_3":1.979,"moe2D_GCUT_SMR_0":-0.5236,"moe2D_GCUT_SMR_1":-0.2207,"moe2D_GCUT_SMR_2":0.1642,"moe2D_GCUT_SMR_3":2.229,"moe2D_Kier1":9,"moe2D_Kier2":4.84,"moe2D_Kier3":5.878,"moe2D_KierA1":7.3,"moe2D_KierA2":3.809,"moe2D_KierA3":4.493,"moe2D_KierFlex":3.09,"moe2D_PEOE_PC.":1.089,"moe2D_PEOE_PC..1":-1.089,"moe2D_PEOE_RPC.":0.2628,"moe2D_PEOE_RPC..1":0.358,"moe2D_PEOE_VSA.0":25.05,"moe2D_PEOE_VSA.1":45.45,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":22.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":10.27,"moe2D_PEOE_VSA_FHYD":0.6954,"moe2D_PEOE_VSA_FNEG":0.4045,"moe2D_PEOE_VSA_FPNEG":0.1486,"moe2D_PEOE_VSA_FPOL":0.3046,"moe2D_PEOE_VSA_FPOS":0.5955,"moe2D_PEOE_VSA_FPPOS":0.156,"moe2D_PEOE_VSA_HYD":111.5,"moe2D_PEOE_VSA_NEG":64.89,"moe2D_PEOE_VSA_PNEG":23.84,"moe2D_PEOE_VSA_POL":48.87,"moe2D_PEOE_VSA_POS":95.53,"moe2D_PEOE_VSA_PPOS":25.03,"moe2D_Q_PC.":2.116,"moe2D_Q_PC..1":-2.116,"moe2D_Q_RPC.":0.3335,"moe2D_Q_RPC..1":0.3214,"moe2D_Q_VSA_FHYD":0.4326,"moe2D_Q_VSA_FNEG":0.364,"moe2D_Q_VSA_FPNEG":0.2876,"moe2D_Q_VSA_FPOL":0.5674,"moe2D_Q_VSA_FPOS":0.636,"moe2D_Q_VSA_FPPOS":0.2798,"moe2D_Q_VSA_HYD":69.39,"moe2D_Q_VSA_NEG":58.39,"moe2D_Q_VSA_PNEG":46.14,"moe2D_Q_VSA_POL":91.03,"moe2D_Q_VSA_POS":102,"moe2D_Q_VSA_PPOS":44.89,"moe2D_SMR":3.284,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.469,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":17.64,"moe2D_SMR_VSA6":28.67,"moe2D_SMR_VSA7":65.43,"moe2D_SlogP":0.0964,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":41.33,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":17.64,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":65.43,"moe2D_TPSA":46.53,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.464,"moe2D_VDistMa":5.966,"moe2D_Weight":130.1,"moe2D_a_IC":27.23,"moe2D_a_ICM":1.433,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":3,"moe2D_apol":19.63,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.375,"moe2D_b_ar":0,"moe2D_b_count":18,"moe2D_b_double":2,"moe2D_b_heavy":8,"moe2D_b_rotN":4,"moe2D_b_rotR":0.5,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":3.092,"moe2D_bpol":13.81,"moe2D_chi0":7.276,"moe2D_chi0_C":4.569,"moe2D_chi0v":5.333,"moe2D_chi0v_C":4.069,"moe2D_chi1":4.164,"moe2D_chi1_C":2.101,"moe2D_chi1v":2.638,"moe2D_chi1v_C":1.683,"moeGao_chi2_C":0.8165,"moeGao_chi2v_C":0.6124,"moeGao_chi3c":0.6969,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2307,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.934,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.6335,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.822,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2617,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.7815,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1426,"moeGao_chi4pcv_C":0,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.744,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":3.182,"moe2D_kS_dO":10.26,"moe2D_kS_dsCH":1.058,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.5038,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.538,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.585,"moe2D_kS_ssCH2":0.03259,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.446,"moe2D_kS_sssCH":-0.6029,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.489,"moe2D_logS":-0.6196,"moe2D_mr":3.375,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":160.4,"moe2D_vdw_vol":174.9,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":105.1,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":104,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"2-methoxyethylamine(ethanamine2-methoxy)","moeGao_Abra_L":2.59,"moeGao_Abra_R":0.243,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.77,"moeGao_Abra_pi":0.562,"moe2D_BCUT_PEOE_0":-2.482,"moe2D_BCUT_PEOE_1":-0.1049,"moe2D_BCUT_PEOE_2":0.09793,"moe2D_BCUT_PEOE_3":2.415,"moe2D_BCUT_SLOGP_0":-2.701,"moe2D_BCUT_SLOGP_1":0.05313,"moe2D_BCUT_SLOGP_2":0.1838,"moe2D_BCUT_SLOGP_3":2.287,"moe2D_BCUT_SMR_0":-2.227,"moe2D_BCUT_SMR_1":0.09941,"moe2D_BCUT_SMR_2":0.1067,"moe2D_BCUT_SMR_3":2.655,"moe2D_GCUT_PEOE_0":-0.833,"moe2D_GCUT_PEOE_1":-0.2664,"moe2D_GCUT_PEOE_2":-0.06207,"moe2D_GCUT_PEOE_3":1.835,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.1501,"moe2D_GCUT_SLOGP_2":0.0238,"moe2D_GCUT_SLOGP_3":1.761,"moe2D_GCUT_SMR_0":-0.5125,"moe2D_GCUT_SMR_1":-0.09096,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.045,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":4,"moe2D_KierA3":4,"moe2D_KierFlex":4,"moe2D_PEOE_PC.":0.7096,"moe2D_PEOE_PC..1":-0.7096,"moe2D_PEOE_RPC.":0.1667,"moe2D_PEOE_RPC..1":0.5379,"moe2D_PEOE_VSA.0":46.72,"moe2D_PEOE_VSA.1":36.28,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":9.155,"moe2D_PEOE_VSA_FHYD":0.9163,"moe2D_PEOE_VSA_FNEG":0.08369,"moe2D_PEOE_VSA_FPNEG":0.08369,"moe2D_PEOE_VSA_FPOL":0.08369,"moe2D_PEOE_VSA_FPOS":0.9163,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":100.2,"moe2D_PEOE_VSA_NEG":9.155,"moe2D_PEOE_VSA_PNEG":9.155,"moe2D_PEOE_VSA_POL":9.155,"moe2D_PEOE_VSA_POS":100.2,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.55,"moe2D_Q_PC..1":-1.55,"moe2D_Q_RPC.":0.2323,"moe2D_Q_RPC..1":0.6387,"moe2D_Q_VSA_FHYD":0.2729,"moe2D_Q_VSA_FNEG":0.08369,"moe2D_Q_VSA_FPNEG":0.08369,"moe2D_Q_VSA_FPOL":0.7271,"moe2D_Q_VSA_FPOS":0.9163,"moe2D_Q_VSA_FPPOS":0.6434,"moe2D_Q_VSA_HYD":29.86,"moe2D_Q_VSA_NEG":9.155,"moe2D_Q_VSA_PNEG":9.155,"moe2D_Q_VSA_POL":79.53,"moe2D_Q_VSA_POS":100.2,"moe2D_Q_VSA_PPOS":70.38,"moe2D_SMR":2.093,"moe2D_SMR_VSA0":11,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":39.37,"moe2D_SMR_VSA7":35.38,"moe2D_SlogP":-0.4085,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":39.37,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":35.38,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":35.25,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":75.11,"moe2D_a_IC":20.02,"moe2D_a_ICM":1.43,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":9,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":13.18,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.191,"moe2D_bpol":11.09,"moe2D_chi0":4.121,"moe2D_chi0_C":2.414,"moe2D_chi0v":3.4,"moe2D_chi0v_C":2.414,"moe2D_chi1":2.414,"moe2D_chi1_C":0.5,"moe2D_chi1v":1.605,"moe2D_chi1v_C":0.5,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.322,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.1179,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6676,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.632,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.014,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.288,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.566,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.708,"moe2D_logS":0.5755,"moe2D_mr":2.126,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":109.4,"moe2D_vdw_vol":112.5,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":78.02,"moe2D_vsa_other":0,"moe2D_vsa_pol":20.25,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"2-methyl-1-propanol-(isobutyl","moeGao_Abra_L":2.442,"moeGao_Abra_R":0.19,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.403,"moeGao_Abra_pi":0.41,"moe2D_BCUT_PEOE_0":-2.593,"moe2D_BCUT_PEOE_1":-0.1779,"moe2D_BCUT_PEOE_2":0.2513,"moe2D_BCUT_PEOE_3":2.549,"moe2D_BCUT_SLOGP_0":-2.563,"moe2D_BCUT_SLOGP_1":-0.09974,"moe2D_BCUT_SLOGP_2":0.2717,"moe2D_BCUT_SLOGP_3":2.609,"moe2D_BCUT_SMR_0":-2.356,"moe2D_BCUT_SMR_1":-0.08726,"moe2D_BCUT_SMR_2":0.3179,"moe2D_BCUT_SMR_3":2.784,"moe2D_GCUT_PEOE_0":-0.8028,"moe2D_GCUT_PEOE_1":-0.2152,"moe2D_GCUT_PEOE_2":-0.04219,"moe2D_GCUT_PEOE_3":2.007,"moe2D_GCUT_SLOGP_0":-0.8803,"moe2D_GCUT_SLOGP_1":-0.1334,"moe2D_GCUT_SLOGP_2":-0.02479,"moe2D_GCUT_SLOGP_3":2.066,"moe2D_GCUT_SMR_0":-0.5312,"moe2D_GCUT_SMR_1":-0.1142,"moe2D_GCUT_SMR_2":0.02281,"moe2D_GCUT_SMR_3":2.21,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":2.25,"moe2D_KierA3":4,"moe2D_KierFlex":2.25,"moe2D_PEOE_PC.":0.5394,"moe2D_PEOE_PC..1":-0.5394,"moe2D_PEOE_RPC.":0.3882,"moe2D_PEOE_RPC..1":0.7318,"moe2D_PEOE_VSA.0":44.81,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":37.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8339,"moe2D_PEOE_VSA_FNEG":0.4155,"moe2D_PEOE_VSA_FPNEG":0.07131,"moe2D_PEOE_VSA_FPOL":0.1661,"moe2D_PEOE_VSA_FPOS":0.5845,"moe2D_PEOE_VSA_FPPOS":0.09478,"moe2D_PEOE_VSA_HYD":90.84,"moe2D_PEOE_VSA_NEG":45.26,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":63.66,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.6966,"moe2D_Q_VSA_FNEG":0.07131,"moe2D_Q_VSA_FPNEG":0.07131,"moe2D_Q_VSA_FPOL":0.3034,"moe2D_Q_VSA_FPOS":0.9287,"moe2D_Q_VSA_FPPOS":0.232,"moe2D_Q_VSA_HYD":75.88,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":101.2,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":2.192,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":4.411,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.6347,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":4.411,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":74.12,"moe2D_a_IC":17.38,"moe2D_a_ICM":1.159,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":15,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":14.51,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.54,"moe2D_bpol":10.93,"moe2D_chi0":4.284,"moe2D_chi0_C":3.284,"moe2D_chi0v":3.732,"moe2D_chi0v_C":3.284,"moe2D_chi1":2.27,"moe2D_chi1_C":1.563,"moe2D_chi1v":1.879,"moe2D_chi1v_C":1.563,"moeGao_chi2_C":1.394,"moeGao_chi2v_C":1.394,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0.4082,"moeGao_chi3cv":0.4082,"moeGao_chi3cv_C":0.4082,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.3651,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1826,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.617,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.944,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.144,"moe2D_kS_ssCH2":0.3056,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.4398,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.909,"moe2D_logS":-0.1187,"moe2D_mr":2.229,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":108.9,"moe2D_vdw_vol":120.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":83.08,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"2-methyl-2-propanol-(tert-butyl","moeGao_Abra_L":2.208,"moeGao_Abra_R":0.184,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.436,"moeGao_Abra_pi":0.37,"moe2D_BCUT_PEOE_0":-2.598,"moe2D_BCUT_PEOE_1":0.0257,"moe2D_BCUT_PEOE_2":0.04906,"moe2D_BCUT_PEOE_3":2.565,"moe2D_BCUT_SLOGP_0":-2.587,"moe2D_BCUT_SLOGP_1":0.04324,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.6,"moe2D_BCUT_SMR_0":-2.363,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1281,"moe2D_BCUT_SMR_3":2.797,"moe2D_GCUT_PEOE_0":-0.8066,"moe2D_GCUT_PEOE_1":-0.1458,"moe2D_GCUT_PEOE_2":-0.1343,"moe2D_GCUT_PEOE_3":2.025,"moe2D_GCUT_SLOGP_0":-0.8746,"moe2D_GCUT_SLOGP_1":-0.1241,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.076,"moe2D_GCUT_SMR_0":-0.5292,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.05205,"moe2D_GCUT_SMR_3":2.226,"moe2D_Kier1":5,"moe2D_Kier2":1,"moe2D_Kier3":0,"moe2D_KierA1":5,"moe2D_KierA2":1,"moe2D_KierA3":0,"moe2D_KierFlex":1,"moe2D_PEOE_PC.":0.4992,"moe2D_PEOE_PC..1":-0.4992,"moe2D_PEOE_RPC.":0.4209,"moe2D_PEOE_RPC..1":0.78,"moe2D_PEOE_VSA.0":38.39,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":56.24,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8395,"moe2D_PEOE_VSA_FNEG":0.5679,"moe2D_PEOE_VSA_FPNEG":0.06891,"moe2D_PEOE_VSA_FPOL":0.1605,"moe2D_PEOE_VSA_FPOS":0.4321,"moe2D_PEOE_VSA_FPPOS":0.09159,"moe2D_PEOE_VSA_HYD":94.63,"moe2D_PEOE_VSA_NEG":64.01,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":48.71,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8395,"moe2D_Q_VSA_FNEG":0.06891,"moe2D_Q_VSA_FPNEG":0.06891,"moe2D_Q_VSA_FPOL":0.1605,"moe2D_Q_VSA_FPOS":0.9311,"moe2D_Q_VSA_FPPOS":0.09159,"moe2D_Q_VSA_HYD":94.63,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":105,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":2.197,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":0.7772,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":0.971,"moe2D_VDistMa":4.25,"moe2D_Weight":74.12,"moe2D_a_IC":17.38,"moe2D_a_ICM":1.159,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":15,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":14.51,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":3.024,"moe2D_bpol":10.93,"moe2D_chi0":4.5,"moe2D_chi0_C":3.5,"moe2D_chi0v":3.947,"moe2D_chi0v_C":3.5,"moe2D_chi1":2,"moe2D_chi1_C":1.5,"moe2D_chi1v":1.724,"moe2D_chi1v_C":1.5,"moeGao_chi2_C":1.5,"moeGao_chi2v_C":1.5,"moeGao_chi3c":2,"moeGao_chi3c_C":0.5,"moeGao_chi3cv":1.171,"moeGao_chi3cv_C":0.5,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0.5,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.2236,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.617,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":5.229,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.521,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-0.5,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.806,"moe2D_logS":-0.3696,"moe2D_mr":2.163,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":112.7,"moe2D_vdw_vol":120.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":88.23,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":16,"moe2D_weinerPol":0,"moe2D_zagreb":20}
{"Molecule":"2-methylpyridine","moeGao_Abra_L":3.525,"moeGao_Abra_R":0.642,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.443,"moeGao_Abra_pi":0.726,"moe2D_BCUT_PEOE_0":-2.227,"moe2D_BCUT_PEOE_1":-0.4891,"moe2D_BCUT_PEOE_2":0.5296,"moe2D_BCUT_PEOE_3":2.198,"moe2D_BCUT_SLOGP_0":-2.12,"moe2D_BCUT_SLOGP_1":-0.412,"moe2D_BCUT_SLOGP_2":0.6071,"moe2D_BCUT_SLOGP_3":2.314,"moe2D_BCUT_SMR_0":-1.96,"moe2D_BCUT_SMR_1":-0.3396,"moe2D_BCUT_SMR_2":0.6826,"moe2D_BCUT_SMR_3":2.474,"moe2D_GCUT_PEOE_0":-0.7554,"moe2D_GCUT_PEOE_1":-0.3371,"moe2D_GCUT_PEOE_2":0.02411,"moe2D_GCUT_PEOE_3":1.884,"moe2D_GCUT_SLOGP_0":-0.7301,"moe2D_GCUT_SLOGP_1":-0.2434,"moe2D_GCUT_SLOGP_2":0.09286,"moe2D_GCUT_SLOGP_3":2.004,"moe2D_GCUT_SMR_0":-0.4798,"moe2D_GCUT_SMR_1":-0.1735,"moe2D_GCUT_SMR_2":0.141,"moe2D_GCUT_SMR_3":2.167,"moe2D_Kier1":5.143,"moe2D_Kier2":2.344,"moe2D_Kier3":1.5,"moe2D_KierA1":3.384,"moe2D_KierA2":1.414,"moe2D_KierA3":0.8185,"moe2D_KierFlex":0.6837,"moe2D_PEOE_PC.":0.4254,"moe2D_PEOE_PC..1":-0.4254,"moe2D_PEOE_RPC.":0.195,"moe2D_PEOE_RPC..1":0.6116,"moe2D_PEOE_VSA.0":36.24,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":43.26,"moe2D_PEOE_VSA.1.1":12.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":5.683,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9504,"moe2D_PEOE_VSA_FNEG":0.5345,"moe2D_PEOE_VSA_FPNEG":0.04963,"moe2D_PEOE_VSA_FPOL":0.04963,"moe2D_PEOE_VSA_FPOS":0.4655,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":108.8,"moe2D_PEOE_VSA_NEG":61.19,"moe2D_PEOE_VSA_PNEG":5.683,"moe2D_PEOE_VSA_POL":5.683,"moe2D_PEOE_VSA_POS":53.3,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.07,"moe2D_Q_PC..1":-1.07,"moe2D_Q_RPC.":0.1556,"moe2D_Q_RPC..1":0.5794,"moe2D_Q_VSA_FHYD":0.9504,"moe2D_Q_VSA_FNEG":0.3707,"moe2D_Q_VSA_FPNEG":0.04963,"moe2D_Q_VSA_FPOL":0.04963,"moe2D_Q_VSA_FPOS":0.6293,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":108.8,"moe2D_Q_VSA_NEG":42.45,"moe2D_Q_VSA_PNEG":5.683,"moe2D_Q_VSA_POL":5.683,"moe2D_Q_VSA_POS":72.05,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":2.897,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":2.757,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.14,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.39,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":2.757,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.14,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":12.89,"moe2D_VAdjEq":0.8631,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.761,"moe2D_VDistMa":5.255,"moe2D_Weight":93.13,"moe2D_a_IC":18.14,"moe2D_a_ICM":1.296,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":16.33,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.215,"moe2D_bpol":8.972,"moe2D_chi0":5.113,"moe2D_chi0_C":4.406,"moe2D_chi0v":4.257,"moe2D_chi0v_C":3.809,"moe2D_chi1":3.394,"moe2D_chi1_C":2.486,"moe2D_chi1v":2.27,"moe2D_chi1v_C":1.789,"moeGao_chi2_C":1.404,"moeGao_chi2v_C":0.8402,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1291,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.894,"moeGao_chi3p_C":0.7428,"moeGao_chi3pv":0.8128,"moeGao_chi3pv_C":0.374,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.307,"moeGao_chi4ca_C":0.3485,"moeGao_chi4cav":0.4481,"moeGao_chi4cav_C":0.1518,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1491,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6457,"moe2D_diameter":4,"moe2D_kS_aaCH":7.644,"moe2D_kS_aaN":3.979,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.072,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.972,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.104,"moe2D_logS":-0.4401,"moe2D_mr":3.046,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":114.5,"moe2D_vdw_vol":144.2,"moe2D_vsa_acc":5.683,"moe2D_vsa_don":0,"moe2D_vsa_hyd":103.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":42,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"2-naphthol(betanaphthol)","moeGao_Abra_L":6.197,"moeGao_Abra_R":1.565,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.493,"moeGao_Abra_pi":1.217,"moe2D_BCUT_PEOE_0":-2.214,"moe2D_BCUT_PEOE_1":-0.7181,"moe2D_BCUT_PEOE_2":0.7665,"moe2D_BCUT_PEOE_3":2.164,"moe2D_BCUT_SLOGP_0":-1.996,"moe2D_BCUT_SLOGP_1":-0.6091,"moe2D_BCUT_SLOGP_2":0.831,"moe2D_BCUT_SLOGP_3":2.402,"moe2D_BCUT_SMR_0":-1.865,"moe2D_BCUT_SMR_1":-0.5578,"moe2D_BCUT_SMR_2":0.9318,"moe2D_BCUT_SMR_3":2.522,"moe2D_GCUT_PEOE_0":-0.7653,"moe2D_GCUT_PEOE_1":-0.4248,"moe2D_GCUT_PEOE_2":0.1101,"moe2D_GCUT_PEOE_3":2.151,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.2902,"moe2D_GCUT_SLOGP_2":0.1669,"moe2D_GCUT_SLOGP_3":2.368,"moe2D_GCUT_SMR_0":-0.43,"moe2D_GCUT_SMR_1":-0.2315,"moe2D_GCUT_SMR_2":0.2361,"moe2D_GCUT_SMR_3":2.485,"moe2D_Kier1":7.639,"moe2D_Kier2":3.164,"moe2D_Kier3":1.6,"moe2D_KierA1":5.099,"moe2D_KierA2":2.015,"moe2D_KierA3":0.9764,"moe2D_KierFlex":0.9339,"moe2D_PEOE_PC.":0.7305,"moe2D_PEOE_PC..1":-0.7305,"moe2D_PEOE_RPC.":0.2975,"moe2D_PEOE_RPC..1":0.4926,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":38.32,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":28.93,"moe2D_PEOE_VSA.1.1":61.27,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8766,"moe2D_PEOE_VSA_FNEG":0.6682,"moe2D_PEOE_VSA_FPNEG":0.05298,"moe2D_PEOE_VSA_FPOL":0.1234,"moe2D_PEOE_VSA_FPOS":0.3318,"moe2D_PEOE_VSA_FPPOS":0.07042,"moe2D_PEOE_VSA_HYD":128.5,"moe2D_PEOE_VSA_NEG":97.97,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":48.64,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.582,"moe2D_Q_PC..1":-1.583,"moe2D_Q_RPC.":0.2844,"moe2D_Q_RPC..1":0.3365,"moe2D_Q_VSA_FHYD":0.8766,"moe2D_Q_VSA_FNEG":0.6381,"moe2D_Q_VSA_FPNEG":0.05298,"moe2D_Q_VSA_FPOL":0.1234,"moe2D_Q_VSA_FPOS":0.3619,"moe2D_Q_VSA_FPPOS":0.07042,"moe2D_Q_VSA_HYD":128.5,"moe2D_Q_VSA_NEG":93.55,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":53.06,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":4.561,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.243,"moe2D_SMR_VSA4":5.146,"moe2D_SMR_VSA5":123.5,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":2.545,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":128.6,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":5.243,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7186,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.285,"moe2D_VDistMa":6.611,"moe2D_Weight":144.2,"moe2D_a_IC":23.49,"moe2D_a_ICM":1.236,"moe2D_a_acc":1,"moe2D_a_aro":10,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":23.74,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":11,"moe2D_b_count":20,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":1.972,"moe2D_bpol":8.746,"moe2D_chi0":7.682,"moe2D_chi0_C":6.682,"moe2D_chi0v":5.989,"moe2D_chi0v_C":5.541,"moe2D_chi1":5.36,"moe2D_chi1_C":4.783,"moe2D_chi1v":3.539,"moe2D_chi1v_C":3.315,"moeGao_chi2_C":3.906,"moeGao_chi2v_C":2.273,"moeGao_chi3c":0.622,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.2412,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":3.802,"moeGao_chi3p_C":3.277,"moeGao_chi3pv":1.733,"moeGao_chi3pv_C":1.594,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.108,"moeGao_chi4ca_C":2.639,"moeGao_chi4cav":1.177,"moeGao_chi4cav_C":1.07,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.292,"moeGao_chi4pc_C":0.9212,"moeGao_chi4pcv":0.4588,"moeGao_chi4pcv_C":0.3785,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6885,"moe2D_diameter":6,"moe2D_kS_aaCH":13.31,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":2.234,"moe2D_kS_aasC":0.3229,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.13,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.857,"moe2D_logS":-2.901,"moe2D_mr":4.506,"moe2D_opr_brigid":11,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":146.6,"moe2D_vdw_vol":209.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":123.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":144,"moe2D_weinerPol":14,"moe2D_zagreb":56}
{"Molecule":"2-nonanone","moeGao_Abra_L":4.885,"moeGao_Abra_R":0.179,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.419,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.679,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.03414,"moe2D_BCUT_PEOE_3":2.624,"moe2D_BCUT_SLOGP_0":-2.524,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.783,"moe2D_BCUT_SMR_0":-2.43,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.875,"moe2D_GCUT_PEOE_0":-0.8014,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.1259,"moe2D_GCUT_PEOE_3":2.365,"moe2D_GCUT_SLOGP_0":-0.8108,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.494,"moe2D_GCUT_SMR_0":-0.5319,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.582,"moe2D_Kier1":10,"moe2D_Kier2":7.111,"moe2D_Kier3":9.143,"moe2D_KierA1":9.064,"moe2D_KierA2":6.368,"moe2D_KierA3":8.107,"moe2D_KierFlex":5.772,"moe2D_PEOE_PC.":0.6304,"moe2D_PEOE_PC..1":-0.6304,"moe2D_PEOE_RPC.":0.2067,"moe2D_PEOE_RPC..1":0.4723,"moe2D_PEOE_VSA.0":85.48,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":53.55,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.928,"moe2D_PEOE_VSA_FNEG":0.5017,"moe2D_PEOE_VSA_FPNEG":0.07197,"moe2D_PEOE_VSA_FPOL":0.07197,"moe2D_PEOE_VSA_FPOS":0.4983,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":174.9,"moe2D_PEOE_VSA_NEG":94.57,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":93.94,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8832,"moe2D_Q_VSA_FNEG":0.07197,"moe2D_Q_VSA_FPNEG":0.07197,"moe2D_Q_VSA_FPOL":0.1168,"moe2D_Q_VSA_FPOS":0.928,"moe2D_Q_VSA_FPPOS":0.04487,"moe2D_Q_VSA_HYD":166.5,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":174.9,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":4.406,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":113.2,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.936,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":113.2,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.857,"moe2D_VDistMa":6.238,"moe2D_Weight":142.2,"moe2D_a_IC":31.02,"moe2D_a_ICM":1.108,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":28,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":18,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":28.64,"moe2D_b_1rotN":6,"moe2D_b_1rotR":0.6667,"moe2D_b_ar":0,"moe2D_b_count":27,"moe2D_b_double":1,"moe2D_b_heavy":9,"moe2D_b_rotN":6,"moe2D_b_rotR":0.6667,"moe2D_b_single":26,"moe2D_b_triple":0,"moe2D_balabanJ":2.782,"moe2D_bpol":20.64,"moe2D_chi0":7.82,"moe2D_chi0_C":6.82,"moe2D_chi0v":7.151,"moe2D_chi0v_C":6.743,"moe2D_chi1":4.77,"moe2D_chi1_C":4.193,"moe2D_chi1v":4.265,"moe2D_chi1v_C":4.061,"moeGao_chi2_C":2.611,"moeGao_chi2v_C":2.518,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1443,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.885,"moeGao_chi3p_C":1.596,"moeGao_chi3pv":1.632,"moeGao_chi3pv_C":1.53,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.156,"moeGao_chi4ca_C":0.952,"moeGao_chi4cav":0.9775,"moeGao_chi4cav_C":0.9053,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1021,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6054,"moe2D_diameter":8,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.48,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.3301,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.866,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":6.994,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.782,"moe2D_logS":-2.714,"moe2D_mr":4.508,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":6,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":188.5,"moe2D_vdw_vol":234.9,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":153.7,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":158,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"2-octanone","moeGao_Abra_L":4.386,"moeGao_Abra_R":0.179,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.419,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.657,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.03414,"moe2D_BCUT_PEOE_3":2.608,"moe2D_BCUT_SLOGP_0":-2.51,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.761,"moe2D_BCUT_SMR_0":-2.409,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.858,"moe2D_GCUT_PEOE_0":-0.7997,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.1259,"moe2D_GCUT_PEOE_3":2.298,"moe2D_GCUT_SLOGP_0":-0.8108,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.421,"moe2D_GCUT_SMR_0":-0.5317,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.515,"moe2D_Kier1":9,"moe2D_Kier2":6.125,"moe2D_Kier3":8,"moe2D_KierA1":8.06,"moe2D_KierA2":5.401,"moe2D_KierA3":6.949,"moe2D_KierFlex":4.837,"moe2D_PEOE_PC.":0.5773,"moe2D_PEOE_PC..1":-0.5773,"moe2D_PEOE_RPC.":0.2257,"moe2D_PEOE_RPC..1":0.5157,"moe2D_PEOE_VSA.0":76.95,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":44.85,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9208,"moe2D_PEOE_VSA_FNEG":0.5013,"moe2D_PEOE_VSA_FPNEG":0.07921,"moe2D_PEOE_VSA_FPOL":0.07921,"moe2D_PEOE_VSA_FPOS":0.4987,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":157.7,"moe2D_PEOE_VSA_NEG":85.87,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":85.41,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8714,"moe2D_Q_VSA_FNEG":0.07921,"moe2D_Q_VSA_FPNEG":0.07921,"moe2D_Q_VSA_FPOL":0.1286,"moe2D_Q_VSA_FPOS":0.9208,"moe2D_Q_VSA_FPPOS":0.04939,"moe2D_Q_VSA_HYD":149.2,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":157.7,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":3.944,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":94.34,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.546,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":94.34,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.673,"moe2D_VDistMa":5.931,"moe2D_Weight":128.2,"moe2D_a_IC":28.1,"moe2D_a_ICM":1.124,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":25,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":16,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":25.55,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.625,"moe2D_b_ar":0,"moe2D_b_count":24,"moe2D_b_double":1,"moe2D_b_heavy":8,"moe2D_b_rotN":5,"moe2D_b_rotR":0.625,"moe2D_b_single":23,"moe2D_b_triple":0,"moe2D_balabanJ":2.76,"moe2D_bpol":18.45,"moe2D_chi0":7.113,"moe2D_chi0_C":6.113,"moe2D_chi0v":6.444,"moe2D_chi0v_C":6.036,"moe2D_chi1":4.27,"moe2D_chi1_C":3.693,"moe2D_chi1v":3.765,"moe2D_chi1v_C":3.561,"moeGao_chi2_C":2.258,"moeGao_chi2v_C":2.164,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1443,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.635,"moeGao_chi3p_C":1.346,"moeGao_chi3pv":1.382,"moeGao_chi3pv_C":1.28,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.9794,"moeGao_chi4ca_C":0.7752,"moeGao_chi4cav":0.8007,"moeGao_chi4cav_C":0.7286,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1021,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6091,"moe2D_diameter":7,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.41,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.3251,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.833,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":5.602,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.34,"moe2D_logS":-2.199,"moe2D_mr":4.046,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":171.3,"moe2D_vdw_vol":210.5,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":137.9,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":114,"moe2D_weinerPol":6,"moe2D_zagreb":32}
{"Molecule":"2-pentanone","moeGao_Abra_L":2.889,"moeGao_Abra_R":0.179,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.419,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.512,"moe2D_BCUT_PEOE_1":0.02299,"moe2D_BCUT_PEOE_2":0.03413,"moe2D_BCUT_PEOE_3":2.505,"moe2D_BCUT_SLOGP_0":-2.421,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.613,"moe2D_BCUT_SMR_0":-2.275,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.749,"moe2D_GCUT_PEOE_0":-0.7757,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.1259,"moe2D_GCUT_PEOE_3":2.005,"moe2D_GCUT_SLOGP_0":-0.8108,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.089,"moe2D_GCUT_SMR_0":-0.5231,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.223,"moe2D_Kier1":6,"moe2D_Kier2":3.2,"moe2D_Kier3":5.333,"moe2D_KierA1":5.037,"moe2D_KierA2":2.574,"moe2D_KierA3":4.107,"moe2D_KierFlex":2.16,"moe2D_PEOE_PC.":0.4179,"moe2D_PEOE_PC..1":-0.4179,"moe2D_PEOE_RPC.":0.3118,"moe2D_PEOE_RPC..1":0.7124,"moe2D_PEOE_VSA.0":51.36,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.8865,"moe2D_PEOE_VSA_FNEG":0.4998,"moe2D_PEOE_VSA_FPNEG":0.1135,"moe2D_PEOE_VSA_FPOL":0.1135,"moe2D_PEOE_VSA_FPOS":0.5002,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":106,"moe2D_PEOE_VSA_NEG":59.76,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":59.81,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8158,"moe2D_Q_VSA_FNEG":0.1135,"moe2D_Q_VSA_FPNEG":0.1135,"moe2D_Q_VSA_FPOL":0.1842,"moe2D_Q_VSA_FPOS":0.8865,"moe2D_Q_VSA_FPPOS":0.07074,"moe2D_Q_VSA_HYD":97.55,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":106,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":2.559,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":1.376,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.909,"moe2D_VDistMa":4.742,"moe2D_Weight":86.13,"moe2D_a_IC":19.17,"moe2D_a_ICM":1.198,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":16.27,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.4,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":1,"moe2D_b_heavy":5,"moe2D_b_rotN":2,"moe2D_b_rotR":0.4,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.693,"moe2D_bpol":11.89,"moe2D_chi0":4.992,"moe2D_chi0_C":3.992,"moe2D_chi0v":4.322,"moe2D_chi0v_C":3.914,"moe2D_chi1":2.77,"moe2D_chi1_C":2.193,"moe2D_chi1v":2.265,"moe2D_chi1v_C":2.061,"moeGao_chi2_C":1.197,"moeGao_chi2v_C":1.104,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1443,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.866,"moeGao_chi3p_C":0.5774,"moeGao_chi3pv":0.6021,"moeGao_chi3pv_C":0.5,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.5774,"moeGao_chi4ca_C":0.2887,"moeGao_chi4cav":0.3521,"moeGao_chi4cav_C":0.25,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1021,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6277,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.04,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.2894,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.616,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.718,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.014,"moe2D_logS":-0.6536,"moe2D_mr":2.658,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":119.6,"moe2D_vdw_vol":137.2,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":90.43,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":32,"moe2D_weinerPol":3,"moe2D_zagreb":20}
{"Molecule":"2-phenoxyethanol","moeGao_Abra_L":4.697,"moeGao_Abra_R":0.858,"moeGao_Abra_acidity":0.286,"moeGao_Abra_basicity":0.433,"moeGao_Abra_pi":0.808,"moe2D_BCUT_PEOE_0":-2.402,"moe2D_BCUT_PEOE_1":-0.6283,"moe2D_BCUT_PEOE_2":0.6758,"moe2D_BCUT_PEOE_3":2.391,"moe2D_BCUT_SLOGP_0":-2.531,"moe2D_BCUT_SLOGP_1":-0.5357,"moe2D_BCUT_SLOGP_2":0.6935,"moe2D_BCUT_SLOGP_3":2.366,"moe2D_BCUT_SMR_0":-2.171,"moe2D_BCUT_SMR_1":-0.4779,"moe2D_BCUT_SMR_2":0.8309,"moe2D_BCUT_SMR_3":2.611,"moe2D_GCUT_PEOE_0":-0.7934,"moe2D_GCUT_PEOE_1":-0.383,"moe2D_GCUT_PEOE_2":0.0751,"moe2D_GCUT_PEOE_3":2.055,"moe2D_GCUT_SLOGP_0":-0.9316,"moe2D_GCUT_SLOGP_1":-0.3485,"moe2D_GCUT_SLOGP_2":0.1365,"moe2D_GCUT_SLOGP_3":2.179,"moe2D_GCUT_SMR_0":-0.5151,"moe2D_GCUT_SMR_1":-0.2135,"moe2D_GCUT_SMR_2":0.1848,"moe2D_GCUT_SMR_3":2.325,"moe2D_Kier1":8.1,"moe2D_Kier2":4.76,"moe2D_Kier3":3.111,"moe2D_KierA1":6.23,"moe2D_KierA2":3.541,"moe2D_KierA3":2.252,"moe2D_KierFlex":2.206,"moe2D_PEOE_PC.":0.9788,"moe2D_PEOE_PC..1":-0.9788,"moe2D_PEOE_RPC.":0.214,"moe2D_PEOE_RPC..1":0.4012,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":76.75,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":10.27,"moe2D_PEOE_VSA_FHYD":0.8702,"moe2D_PEOE_VSA_FNEG":0.4511,"moe2D_PEOE_VSA_FPNEG":0.06475,"moe2D_PEOE_VSA_FPOL":0.1298,"moe2D_PEOE_VSA_FPOS":0.5489,"moe2D_PEOE_VSA_FPPOS":0.06509,"moe2D_PEOE_VSA_HYD":138,"moe2D_PEOE_VSA_NEG":71.55,"moe2D_PEOE_VSA_PNEG":10.27,"moe2D_PEOE_VSA_POL":20.6,"moe2D_PEOE_VSA_POS":87.07,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.793,"moe2D_Q_PC..1":-1.793,"moe2D_Q_RPC.":0.2232,"moe2D_Q_RPC..1":0.3794,"moe2D_Q_VSA_FHYD":0.6816,"moe2D_Q_VSA_FNEG":0.4511,"moe2D_Q_VSA_FPNEG":0.06475,"moe2D_Q_VSA_FPOL":0.3184,"moe2D_Q_VSA_FPOS":0.5489,"moe2D_Q_VSA_FPPOS":0.2536,"moe2D_Q_VSA_HYD":108.1,"moe2D_Q_VSA_NEG":71.55,"moe2D_Q_VSA_PNEG":10.27,"moe2D_Q_VSA_POL":50.5,"moe2D_Q_VSA_POS":87.07,"moe2D_Q_VSA_PPOS":40.23,"moe2D_SMR":3.902,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":36.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.243,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":41.85,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.058,"moe2D_SlogP_VSA0":36.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":5.243,"moe2D_TPSA":29.46,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.566,"moe2D_VDistMa":6.273,"moe2D_Weight":138.2,"moe2D_a_IC":27.22,"moe2D_a_ICM":1.361,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":20,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":22.35,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.3,"moe2D_b_ar":6,"moe2D_b_count":20,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":3,"moe2D_b_rotR":0.3,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.047,"moe2D_bpol":12.85,"moe2D_chi0":7.234,"moe2D_chi0_C":5.527,"moe2D_chi0v":5.656,"moe2D_chi0v_C":4.801,"moe2D_chi1":4.932,"moe2D_chi1_C":3.316,"moe2D_chi1v":3.22,"moe2D_chi1v_C":2.411,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.077,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.06804,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.691,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":1.103,"moeGao_chi3pv_C":0.6071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.969,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":0.6802,"moeGao_chi4cav_C":0.3419,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.433,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1267,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7017,"moe2D_diameter":7,"moe2D_kS_aaCH":9.427,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.8024,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.403,"moe2D_kS_ssCH2":0.4295,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":5.105,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.168,"moe2D_logS":-1.233,"moe2D_mr":4.031,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":158.6,"moe2D_vdw_vol":196.9,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":131.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":16.07,"moe2D_weinerPath":133,"moe2D_weinerPol":9,"moe2D_zagreb":42}
{"Molecule":"2-pyridinecarbonitrile","moeGao_Abra_L":4.268,"moeGao_Abra_R":0.786,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.567,"moeGao_Abra_pi":1.225,"moe2D_BCUT_PEOE_0":-2.072,"moe2D_BCUT_PEOE_1":-0.6023,"moe2D_BCUT_PEOE_2":0.6607,"moe2D_BCUT_PEOE_3":2.062,"moe2D_BCUT_SLOGP_0":-1.971,"moe2D_BCUT_SLOGP_1":-0.5208,"moe2D_BCUT_SLOGP_2":0.74,"moe2D_BCUT_SLOGP_3":2.177,"moe2D_BCUT_SMR_0":-1.769,"moe2D_BCUT_SMR_1":-0.4451,"moe2D_BCUT_SMR_2":0.817,"moe2D_BCUT_SMR_3":2.362,"moe2D_GCUT_PEOE_0":-0.7304,"moe2D_GCUT_PEOE_1":-0.404,"moe2D_GCUT_PEOE_2":0.1058,"moe2D_GCUT_PEOE_3":1.787,"moe2D_GCUT_SLOGP_0":-0.7301,"moe2D_GCUT_SLOGP_1":-0.3169,"moe2D_GCUT_SLOGP_2":0.1797,"moe2D_GCUT_SLOGP_3":1.884,"moe2D_GCUT_SMR_0":-0.4031,"moe2D_GCUT_SMR_1":-0.1969,"moe2D_GCUT_SMR_2":0.2498,"moe2D_GCUT_SMR_3":2.075,"moe2D_Kier1":6.125,"moe2D_Kier2":3.111,"moe2D_Kier3":1.8,"moe2D_KierA1":3.401,"moe2D_KierA2":1.554,"moe2D_KierA3":0.8173,"moe2D_KierFlex":0.6609,"moe2D_PEOE_PC.":0.5609,"moe2D_PEOE_PC..1":-0.5609,"moe2D_PEOE_RPC.":0.2496,"moe2D_PEOE_RPC..1":0.4362,"moe2D_PEOE_VSA.0":16.75,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":27,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":12.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":17.74,"moe2D_PEOE_VSA.4.1":5.683,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.953,"moe2D_PEOE_VSA_FNEG":0.4975,"moe2D_PEOE_VSA_FPNEG":0.04696,"moe2D_PEOE_VSA_FPOL":0.04696,"moe2D_PEOE_VSA_FPOS":0.5025,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":115.3,"moe2D_PEOE_VSA_NEG":60.19,"moe2D_PEOE_VSA_PNEG":5.683,"moe2D_PEOE_VSA_POL":5.683,"moe2D_PEOE_VSA_POS":60.81,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.627,"moe2D_Q_PC..1":-1.627,"moe2D_Q_RPC.":0.2975,"moe2D_Q_RPC..1":0.381,"moe2D_Q_VSA_FHYD":0.5833,"moe2D_Q_VSA_FNEG":0.4975,"moe2D_Q_VSA_FPNEG":0.1936,"moe2D_Q_VSA_FPOL":0.4167,"moe2D_Q_VSA_FPOS":0.5025,"moe2D_Q_VSA_FPPOS":0.2231,"moe2D_Q_VSA_HYD":70.57,"moe2D_Q_VSA_NEG":60.19,"moe2D_Q_VSA_PNEG":23.43,"moe2D_Q_VSA_POL":50.42,"moe2D_Q_VSA_POS":60.81,"moe2D_Q_VSA_PPOS":27,"moe2D_SMR":2.895,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":47.84,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":19.36,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.14,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":0.9533,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":47.66,"moe2D_SlogP_VSA4":2.757,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.14,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":36.68,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.06,"moe2D_VDistMa":5.642,"moe2D_Weight":104.1,"moe2D_a_IC":17.51,"moe2D_a_ICM":1.459,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":2,"moe2D_a_nO":0,"moe2D_apol":15.43,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":1,"moe2D_b_rotR":0.125,"moe2D_b_single":5,"moe2D_b_triple":1,"moe2D_balabanJ":2.203,"moe2D_bpol":6.353,"moe2D_chi0":5.82,"moe2D_chi0_C":4.113,"moe2D_chi0v":4.204,"moe2D_chi0v_C":3.309,"moe2D_chi1":3.932,"moe2D_chi1_C":2.316,"moe2D_chi1v":2.244,"moe2D_chi1v_C":1.539,"moeGao_chi2_C":1.284,"moeGao_chi2v_C":0.6959,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.06455,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.302,"moeGao_chi3p_C":0.6582,"moeGao_chi3pv":0.7794,"moeGao_chi3pv_C":0.2907,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.595,"moeGao_chi4ca_C":0.2887,"moeGao_chi4cav":0.4289,"moeGao_chi4cav_C":0.1037,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1034,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7169,"moe2D_diameter":5,"moe2D_kS_aaCH":6.824,"moe2D_kS_aaN":3.736,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.4653,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":8.225,"moe2D_kS_tsC":1.916,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.295,"moe2D_logS":-0.6306,"moe2D_mr":3.176,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":121,"moe2D_vdw_vol":145.2,"moe2D_vsa_acc":23.43,"moe2D_vsa_don":0,"moe2D_vsa_hyd":74.42,"moe2D_vsa_other":20.3,"moe2D_vsa_pol":23.43,"moe2D_weinerPath":64,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"33'-dichlorobenzidine","moeGao_Abra_L":8.514,"moeGao_Abra_R":1.748,"moeGao_Abra_acidity":0.524,"moeGao_Abra_basicity":0.749,"moeGao_Abra_pi":1.825,"moe2D_BCUT_PEOE_0":-2.273,"moe2D_BCUT_PEOE_1":-0.6615,"moe2D_BCUT_PEOE_2":0.6877,"moe2D_BCUT_PEOE_3":2.225,"moe2D_BCUT_SLOGP_0":-2.325,"moe2D_BCUT_SLOGP_1":-0.438,"moe2D_BCUT_SLOGP_2":0.9082,"moe2D_BCUT_SLOGP_3":2.451,"moe2D_BCUT_SMR_0":-1.913,"moe2D_BCUT_SMR_1":-0.4164,"moe2D_BCUT_SMR_2":0.9434,"moe2D_BCUT_SMR_3":2.587,"moe2D_GCUT_PEOE_0":-0.8071,"moe2D_GCUT_PEOE_1":-0.3994,"moe2D_GCUT_PEOE_2":0.06249,"moe2D_GCUT_PEOE_3":2.267,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.1883,"moe2D_GCUT_SLOGP_2":0.3223,"moe2D_GCUT_SLOGP_3":2.484,"moe2D_GCUT_SMR_0":-0.4063,"moe2D_GCUT_SMR_1":-0.155,"moe2D_GCUT_SMR_2":0.3313,"moe2D_GCUT_SMR_3":2.608,"moe2D_Kier1":12.46,"moe2D_Kier2":5.104,"moe2D_Kier3":2.831,"moe2D_KierA1":10.2,"moe2D_KierA2":4.119,"moe2D_KierA3":2.26,"moe2D_KierFlex":2.625,"moe2D_PEOE_PC.":1.056,"moe2D_PEOE_PC..1":-1.056,"moe2D_PEOE_RPC.":0.1174,"moe2D_PEOE_RPC..1":0.2851,"moe2D_PEOE_VSA.0":13.4,"moe2D_PEOE_VSA.1":34.63,"moe2D_PEOE_VSA.2":34.48,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":53.44,"moe2D_PEOE_VSA.1.1":83.67,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":13.3,"moe2D_PEOE_VSA_FHYD":0.9429,"moe2D_PEOE_VSA_FNEG":0.6458,"moe2D_PEOE_VSA_FPNEG":0.05711,"moe2D_PEOE_VSA_FPOL":0.05711,"moe2D_PEOE_VSA_FPOS":0.3542,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":219.6,"moe2D_PEOE_VSA_NEG":150.4,"moe2D_PEOE_VSA_PNEG":13.3,"moe2D_PEOE_VSA_POL":13.3,"moe2D_PEOE_VSA_POS":82.51,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":3.054,"moe2D_Q_PC..1":-3.054,"moe2D_Q_RPC.":0.131,"moe2D_Q_RPC..1":0.2947,"moe2D_Q_VSA_FHYD":0.7949,"moe2D_Q_VSA_FNEG":0.6268,"moe2D_Q_VSA_FPNEG":0.05711,"moe2D_Q_VSA_FPOL":0.2051,"moe2D_Q_VSA_FPOS":0.3732,"moe2D_Q_VSA_FPPOS":0.148,"moe2D_Q_VSA_HYD":185.1,"moe2D_Q_VSA_NEG":146,"moe2D_Q_VSA_PNEG":13.3,"moe2D_Q_VSA_POL":47.78,"moe2D_Q_VSA_POS":86.92,"moe2D_Q_VSA_PPOS":34.48,"moe2D_SMR":7.072,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":7.001,"moe2D_SMR_VSA4":11.88,"moe2D_SMR_VSA5":171.7,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":3.825,"moe2D_SlogP_VSA0":65.79,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":7.001,"moe2D_SlogP_VSA7":112.2,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":83.81,"moe2D_TPSA":52.04,"moe2D_VAdjEq":0.5651,"moe2D_VAdjMa":5.087,"moe2D_VDistEq":2.891,"moe2D_VDistMa":7.689,"moe2D_Weight":253.1,"moe2D_a_IC":41.97,"moe2D_a_ICM":1.614,"moe2D_a_acc":0,"moe2D_a_aro":12,"moe2D_a_count":26,"moe2D_a_don":2,"moe2D_a_heavy":16,"moe2D_a_hyd":14,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":2,"moe2D_a_nO":0,"moe2D_apol":34.35,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.05882,"moe2D_b_ar":12,"moe2D_b_count":27,"moe2D_b_double":0,"moe2D_b_heavy":17,"moe2D_b_rotN":1,"moe2D_b_rotR":0.05882,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":1.902,"moe2D_bpol":10.45,"moe2D_chi0":11.71,"moe2D_chi0_C":7.707,"moe2D_chi0v":9.887,"moe2D_chi0v_C":6.464,"moe2D_chi1":7.575,"moe2D_chi1_C":5.266,"moe2D_chi1v":5.437,"moe2D_chi1v_C":3.726,"moeGao_chi2_C":4.089,"moeGao_chi2v_C":2.443,"moeGao_chi3c":1.276,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.6607,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":5.944,"moeGao_chi3p_C":3.286,"moeGao_chi3pv":2.989,"moeGao_chi3pv_C":1.648,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":4.035,"moeGao_chi4ca_C":2.49,"moeGao_chi4cav":1.774,"moeGao_chi4cav_C":1.053,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":3.115,"moeGao_chi4pc_C":0.8996,"moeGao_chi4pcv":1.295,"moeGao_chi4pcv_C":0.372,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8297,"moe2D_diameter":9,"moe2D_kS_aaCH":10.92,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":2.984,"moe2D_kS_aasC":1.124,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":11.9,"moe2D_kS_sF":0,"moe2D_kS_sNH2":11.29,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.776,"moe2D_logS":-4.722,"moe2D_mr":6.728,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":232.9,"moe2D_vdw_vol":305.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":35.48,"moe2D_vsa_hyd":180.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":35.48,"moe2D_weinerPath":440,"moe2D_weinerPol":24,"moe2D_zagreb":82}
{"Molecule":"33-dimethyl-2-butanone-(pinacolone)","moeGao_Abra_L":2.976,"moeGao_Abra_R":0.158,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.47,"moeGao_Abra_pi":0.519,"moe2D_BCUT_PEOE_0":-2.617,"moe2D_BCUT_PEOE_1":0.02389,"moe2D_BCUT_PEOE_2":0.0306,"moe2D_BCUT_PEOE_3":2.617,"moe2D_BCUT_SLOGP_0":-2.567,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.683,"moe2D_BCUT_SMR_0":-2.378,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.863,"moe2D_GCUT_PEOE_0":-0.7703,"moe2D_GCUT_PEOE_1":-0.1361,"moe2D_GCUT_PEOE_2":-0.1294,"moe2D_GCUT_PEOE_3":2.213,"moe2D_GCUT_SLOGP_0":-0.8302,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.279,"moe2D_GCUT_SMR_0":-0.5227,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.432,"moe2D_Kier1":7,"moe2D_Kier2":1.852,"moe2D_Kier3":2.667,"moe2D_KierA1":6.047,"moe2D_KierA2":1.554,"moe2D_KierA3":2.168,"moe2D_KierFlex":1.343,"moe2D_PEOE_PC.":0.4627,"moe2D_PEOE_PC..1":-0.4627,"moe2D_PEOE_RPC.":0.2931,"moe2D_PEOE_RPC..1":0.6422,"moe2D_PEOE_VSA.0":51.18,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":56.24,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9085,"moe2D_PEOE_VSA_FNEG":0.5976,"moe2D_PEOE_VSA_FPNEG":0.09154,"moe2D_PEOE_VSA_FPOL":0.09154,"moe2D_PEOE_VSA_FPOS":0.4024,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":134.6,"moe2D_PEOE_VSA_NEG":88.56,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":59.64,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8514,"moe2D_Q_VSA_FNEG":0.09154,"moe2D_Q_VSA_FPNEG":0.09154,"moe2D_Q_VSA_FPOL":0.1486,"moe2D_Q_VSA_FPOS":0.9085,"moe2D_Q_VSA_FPPOS":0.05707,"moe2D_Q_VSA_HYD":126.2,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":134.6,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":3.014,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":133.3,"moe2D_SlogP":1.622,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":133.3,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.557,"moe2D_VDistMa":5.284,"moe2D_Weight":100.2,"moe2D_a_IC":22.18,"moe2D_a_ICM":1.167,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":19,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":19.36,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":18,"moe2D_b_double":1,"moe2D_b_heavy":6,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1667,"moe2D_b_single":17,"moe2D_b_triple":0,"moe2D_balabanJ":3.603,"moe2D_bpol":14.08,"moe2D_chi0":6.077,"moe2D_chi0_C":5.077,"moe2D_chi0v":5.408,"moe2D_chi0v_C":5,"moe2D_chi1":2.943,"moe2D_chi1_C":2.366,"moe2D_chi1v":2.454,"moe2D_chi1v_C":2.25,"moeGao_chi2_C":2.655,"moeGao_chi2v_C":2.5,"moeGao_chi3c":1.655,"moeGao_chi3c_C":1.366,"moeGao_chi3cv":1.352,"moeGao_chi3cv_C":1.25,"moeGao_chi3p":1.732,"moeGao_chi3p_C":0.866,"moeGao_chi3pv":1.056,"moeGao_chi3pv_C":0.75,"moeGao_chi4c":0.2887,"moeGao_chi4c_C":0.2887,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.25,"moeGao_chi4cv_C":0.25,"moeGao_chi4pc":2.598,"moeGao_chi4pc_C":0.866,"moeGao_chi4pcv":1.362,"moeGao_chi4pcv_C":0.75,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6196,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.47,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.2431,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":7.347,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-0.1389,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.298,"moe2D_logS":-0.5419,"moe2D_mr":3.044,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":148.2,"moe2D_vdw_vol":161.6,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":117.6,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":42,"moe2D_weinerPol":6,"moe2D_zagreb":30}
{"Molecule":"33-dimethylbutylamine","moeGao_Abra_L":3.315,"moeGao_Abra_R":0.208,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.61,"moeGao_Abra_pi":0.298,"moe2D_BCUT_PEOE_0":-2.729,"moe2D_BCUT_PEOE_1":0.02349,"moe2D_BCUT_PEOE_2":0.0422,"moe2D_BCUT_PEOE_3":2.661,"moe2D_BCUT_SLOGP_0":-2.718,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.766,"moe2D_BCUT_SMR_0":-2.473,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.917,"moe2D_GCUT_PEOE_0":-0.8409,"moe2D_GCUT_PEOE_1":-0.1365,"moe2D_GCUT_PEOE_2":-0.1178,"moe2D_GCUT_PEOE_3":2.324,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.413,"moe2D_GCUT_SMR_0":-0.5334,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.543,"moe2D_Kier1":7,"moe2D_Kier2":2.344,"moe2D_Kier3":6,"moe2D_KierA1":7,"moe2D_KierA2":2.344,"moe2D_KierA3":6,"moe2D_KierFlex":2.344,"moe2D_PEOE_PC.":0.5887,"moe2D_PEOE_PC..1":-0.5887,"moe2D_PEOE_RPC.":0.2008,"moe2D_PEOE_RPC..1":0.5605,"moe2D_PEOE_VSA.0":55.45,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":56.24,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9578,"moe2D_PEOE_VSA_FNEG":0.5384,"moe2D_PEOE_VSA_FPNEG":0.04224,"moe2D_PEOE_VSA_FPOL":0.04224,"moe2D_PEOE_VSA_FPOS":0.4616,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":150.8,"moe2D_PEOE_VSA_NEG":84.79,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":72.69,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7645,"moe2D_Q_VSA_FNEG":0.04224,"moe2D_Q_VSA_FPNEG":0.04224,"moe2D_Q_VSA_FPOL":0.2355,"moe2D_Q_VSA_FPOS":0.9578,"moe2D_Q_VSA_FPPOS":0.1932,"moe2D_Q_VSA_HYD":120.4,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":150.8,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":3.313,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":1.381,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.904,"moe2D_VDistMa":5.241,"moe2D_Weight":101.2,"moe2D_a_IC":23.99,"moe2D_a_ICM":1.091,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":22,"moe2D_a_don":1,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":15,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":21.66,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1667,"moe2D_b_ar":0,"moe2D_b_count":21,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":2,"moe2D_b_rotR":0.3333,"moe2D_b_single":21,"moe2D_b_triple":0,"moe2D_balabanJ":3.154,"moe2D_bpol":15.74,"moe2D_chi0":5.914,"moe2D_chi0_C":4.914,"moe2D_chi0v":5.492,"moe2D_chi0v_C":4.914,"moe2D_chi1":3.061,"moe2D_chi1_C":2.354,"moe2D_chi1v":2.762,"moe2D_chi1v_C":2.354,"moeGao_chi2_C":2.811,"moeGao_chi2v_C":2.811,"moeGao_chi3c":1.561,"moeGao_chi3c_C":1.561,"moeGao_chi3cv":1.561,"moeGao_chi3cv_C":1.561,"moeGao_chi3p":1,"moeGao_chi3p_C":0.75,"moeGao_chi3pv":0.8943,"moeGao_chi3pv_C":0.75,"moeGao_chi4c":0.3536,"moeGao_chi4c_C":0.3536,"moeGao_chi4ca":0.75,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.433,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.3536,"moeGao_chi4cv_C":0.3536,"moeGao_chi4pc":0.75,"moeGao_chi4pc_C":0.75,"moeGao_chi4pcv":0.75,"moeGao_chi4pcv_C":0.75,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5778,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.583,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.315,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.927,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0.4253,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.528,"moe2D_logS":-1.357,"moe2D_mr":3.222,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":157.5,"moe2D_vdw_vol":175.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":124.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":46,"moe2D_weinerPol":4,"moe2D_zagreb":28}
{"Molecule":"34-dichloroaniline","moeGao_Abra_L":5.589,"moeGao_Abra_R":1.201,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.352,"moeGao_Abra_pi":1.196,"moe2D_BCUT_PEOE_0":-2.201,"moe2D_BCUT_PEOE_1":-0.6305,"moe2D_BCUT_PEOE_2":0.6368,"moe2D_BCUT_PEOE_3":2.146,"moe2D_BCUT_SLOGP_0":-2.322,"moe2D_BCUT_SLOGP_1":-0.3424,"moe2D_BCUT_SLOGP_2":0.9664,"moe2D_BCUT_SLOGP_3":2.368,"moe2D_BCUT_SMR_0":-1.847,"moe2D_BCUT_SMR_1":-0.3327,"moe2D_BCUT_SMR_2":0.9789,"moe2D_BCUT_SMR_3":2.5,"moe2D_GCUT_PEOE_0":-0.812,"moe2D_GCUT_PEOE_1":-0.3918,"moe2D_GCUT_PEOE_2":0.04019,"moe2D_GCUT_PEOE_3":1.906,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.1361,"moe2D_GCUT_SLOGP_2":0.3857,"moe2D_GCUT_SLOGP_3":2.134,"moe2D_GCUT_SMR_0":-0.4062,"moe2D_GCUT_SMR_1":-0.1349,"moe2D_GCUT_SMR_2":0.4116,"moe2D_GCUT_SMR_3":2.246,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.704,"moe2D_KierA1":7.013,"moe2D_KierA2":2.68,"moe2D_KierA3":1.674,"moe2D_KierFlex":2.088,"moe2D_PEOE_PC.":0.5737,"moe2D_PEOE_PC..1":-0.5737,"moe2D_PEOE_RPC.":0.216,"moe2D_PEOE_RPC..1":0.5268,"moe2D_PEOE_VSA.0":6.7,"moe2D_PEOE_VSA.1":21.84,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":59.16,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9552,"moe2D_PEOE_VSA_FNEG":0.6915,"moe2D_PEOE_VSA_FPNEG":0.04483,"moe2D_PEOE_VSA_FPOL":0.04483,"moe2D_PEOE_VSA_FPOS":0.3085,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":141.7,"moe2D_PEOE_VSA_NEG":102.6,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":45.77,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.704,"moe2D_Q_PC..1":-1.704,"moe2D_Q_RPC.":0.2347,"moe2D_Q_RPC..1":0.5282,"moe2D_Q_VSA_FHYD":0.839,"moe2D_Q_VSA_FNEG":0.6915,"moe2D_Q_VSA_FPNEG":0.04483,"moe2D_Q_VSA_FPOL":0.161,"moe2D_Q_VSA_FPOS":0.3085,"moe2D_Q_VSA_FPPOS":0.1162,"moe2D_Q_VSA_HYD":124.5,"moe2D_Q_VSA_NEG":102.6,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":45.77,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":4.087,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":7.001,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":85.83,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":2.576,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":7.001,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":81.05,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.037,"moe2D_VDistMa":6.021,"moe2D_Weight":162,"moe2D_a_IC":24.18,"moe2D_a_ICM":1.727,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":19.35,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.409,"moe2D_bpol":5.646,"moe2D_chi0":6.853,"moe2D_chi0_C":3.853,"moe2D_chi0v":6.077,"moe2D_chi0v_C":3.232,"moe2D_chi1":4.198,"moe2D_chi1_C":2.466,"moe2D_chi1v":3.161,"moe2D_chi1v_C":1.738,"moeGao_chi2_C":1.573,"moeGao_chi2v_C":0.933,"moeGao_chi3c":0.7601,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.4236,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.86,"moeGao_chi3p_C":1.007,"moeGao_chi3pv":1.683,"moeGao_chi3pv_C":0.5017,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.817,"moeGao_chi4ca_C":0.6422,"moeGao_chi4cav":0.8189,"moeGao_chi4cav_C":0.2693,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.478,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.8401,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9234,"moe2D_diameter":5,"moe2D_kS_aaCH":4.983,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.03,"moe2D_kS_aasC":0.6291,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":11.2,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.384,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.453,"moe2D_logS":-2.574,"moe2D_mr":3.957,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":148.4,"moe2D_vdw_vol":175.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":122.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":84,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"34-dichlorotoluene","moeGao_Abra_L":4.987,"moeGao_Abra_R":0.934,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.142,"moeGao_Abra_pi":0.776,"moe2D_BCUT_PEOE_0":-2.264,"moe2D_BCUT_PEOE_1":-0.6026,"moe2D_BCUT_PEOE_2":0.581,"moe2D_BCUT_PEOE_3":2.226,"moe2D_BCUT_SLOGP_0":-2.104,"moe2D_BCUT_SLOGP_1":-0.2175,"moe2D_BCUT_SLOGP_2":0.9091,"moe2D_BCUT_SLOGP_3":2.412,"moe2D_BCUT_SMR_0":-1.976,"moe2D_BCUT_SMR_1":-0.2233,"moe2D_BCUT_SMR_2":0.9243,"moe2D_BCUT_SMR_3":2.538,"moe2D_GCUT_PEOE_0":-0.7558,"moe2D_GCUT_PEOE_1":-0.3862,"moe2D_GCUT_PEOE_2":0.00972,"moe2D_GCUT_PEOE_3":1.968,"moe2D_GCUT_SLOGP_0":-0.6036,"moe2D_GCUT_SLOGP_1":-0.1269,"moe2D_GCUT_SLOGP_2":0.3364,"moe2D_GCUT_SLOGP_3":2.183,"moe2D_GCUT_SMR_0":-0.4787,"moe2D_GCUT_SMR_1":-0.09307,"moe2D_GCUT_SMR_2":0.3474,"moe2D_GCUT_SMR_3":2.287,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.704,"moe2D_KierA1":7.455,"moe2D_KierA2":2.872,"moe2D_KierA3":1.809,"moe2D_KierFlex":2.379,"moe2D_PEOE_PC.":0.3909,"moe2D_PEOE_PC..1":-0.3909,"moe2D_PEOE_RPC.":0.1625,"moe2D_PEOE_RPC..1":0.2099,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":21.84,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":45.47,"moe2D_PEOE_VSA.1.1":71.42,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7714,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2286,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":151.5,"moe2D_PEOE_VSA_NEG":116.9,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":34.63,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.9475,"moe2D_Q_PC..1":-0.9475,"moe2D_Q_RPC.":0.1868,"moe2D_Q_RPC..1":0.1868,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.6477,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.3523,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":151.5,"moe2D_Q_VSA_NEG":98.14,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":53.38,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.12,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.19,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":111.6,"moe2D_SlogP":3.302,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":7.001,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":111.6,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.037,"moe2D_VDistMa":6.021,"moe2D_Weight":161,"moe2D_a_IC":21.44,"moe2D_a_ICM":1.429,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":15,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":20.68,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":2.409,"moe2D_bpol":7.399,"moe2D_chi0":6.853,"moe2D_chi0_C":4.853,"moe2D_chi0v":6.5,"moe2D_chi0v_C":4.232,"moe2D_chi1":4.198,"moe2D_chi1_C":3.044,"moe2D_chi1v":3.372,"moe2D_chi1v_C":2.238,"moeGao_chi2_C":2.39,"moeGao_chi2v_C":1.51,"moeGao_chi3c":0.7601,"moeGao_chi3c_C":0.2887,"moeGao_chi3cv":0.494,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":2.86,"moeGao_chi3p_C":1.531,"moeGao_chi3pv":1.814,"moeGao_chi3pv_C":0.8127,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.817,"moeGao_chi4ca_C":0.945,"moeGao_chi4cav":0.9538,"moeGao_chi4cav_C":0.4248,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.478,"moeGao_chi4pc_C":0.3708,"moeGao_chi4pcv":0.916,"moeGao_chi4pcv_C":0.1796,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8694,"moe2D_diameter":5,"moe2D_kS_aaCH":5.553,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.235,"moe2D_kS_aasC":1.129,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.974,"moe2D_kS_sCl":11.33,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.423,"moe2D_logS":-3.327,"moe2D_mr":4.123,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":151.5,"moe2D_vdw_vol":185.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":147.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":84,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"34-xylenol(34-dimethylphenol)","moeGao_Abra_L":4.723,"moeGao_Abra_R":0.845,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.425,"moeGao_Abra_pi":0.827,"moe2D_BCUT_PEOE_0":-2.35,"moe2D_BCUT_PEOE_1":-0.3677,"moe2D_BCUT_PEOE_2":0.3899,"moe2D_BCUT_PEOE_3":2.298,"moe2D_BCUT_SLOGP_0":-2.194,"moe2D_BCUT_SLOGP_1":-0.2491,"moe2D_BCUT_SLOGP_2":0.5065,"moe2D_BCUT_SLOGP_3":2.465,"moe2D_BCUT_SMR_0":-2.06,"moe2D_BCUT_SMR_1":-0.165,"moe2D_BCUT_SMR_2":0.5909,"moe2D_BCUT_SMR_3":2.599,"moe2D_GCUT_PEOE_0":-0.7651,"moe2D_GCUT_PEOE_1":-0.3315,"moe2D_GCUT_PEOE_2":-0.06687,"moe2D_GCUT_PEOE_3":2.119,"moe2D_GCUT_SLOGP_0":-0.7618,"moe2D_GCUT_SLOGP_1":-0.2139,"moe2D_GCUT_SLOGP_2":0.04032,"moe2D_GCUT_SLOGP_3":2.291,"moe2D_GCUT_SMR_0":-0.4791,"moe2D_GCUT_SMR_1":-0.1398,"moe2D_GCUT_SMR_2":0.11,"moe2D_GCUT_SMR_3":2.406,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.704,"moe2D_KierA1":5.29,"moe2D_KierA2":1.94,"moe2D_KierA3":1.164,"moe2D_KierFlex":1.14,"moe2D_PEOE_PC.":0.6478,"moe2D_PEOE_PC..1":-0.6478,"moe2D_PEOE_RPC.":0.3355,"moe2D_PEOE_RPC..1":0.5555,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":21.25,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":66.42,"moe2D_PEOE_VSA.1.1":12.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.874,"moe2D_PEOE_VSA_FNEG":0.6019,"moe2D_PEOE_VSA_FPNEG":0.05409,"moe2D_PEOE_VSA_FPOL":0.126,"moe2D_PEOE_VSA_FPOS":0.3981,"moe2D_PEOE_VSA_FPPOS":0.07189,"moe2D_PEOE_VSA_HYD":125.5,"moe2D_PEOE_VSA_NEG":86.44,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":57.17,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.27,"moe2D_Q_PC..1":-1.269,"moe2D_Q_RPC.":0.3545,"moe2D_Q_RPC..1":0.4195,"moe2D_Q_VSA_FHYD":0.874,"moe2D_Q_VSA_FNEG":0.3408,"moe2D_Q_VSA_FPNEG":0.05409,"moe2D_Q_VSA_FPOL":0.126,"moe2D_Q_VSA_FPOS":0.6592,"moe2D_Q_VSA_FPPOS":0.07189,"moe2D_Q_VSA_HYD":125.5,"moe2D_Q_VSA_NEG":48.95,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":94.67,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.758,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":11.61,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.009,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":71.9,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.037,"moe2D_VDistMa":6.021,"moe2D_Weight":122.2,"moe2D_a_IC":23.49,"moe2D_a_ICM":1.236,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":21.55,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":19,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.409,"moe2D_bpol":10.93,"moe2D_chi0":6.853,"moe2D_chi0_C":5.853,"moe2D_chi0v":5.679,"moe2D_chi0v_C":5.232,"moe2D_chi1":4.198,"moe2D_chi1_C":3.621,"moe2D_chi1v":2.962,"moe2D_chi1v_C":2.738,"moeGao_chi2_C":3.056,"moeGao_chi2v_C":2.01,"moeGao_chi3c":0.7601,"moeGao_chi3c_C":0.4714,"moeGao_chi3cv":0.3632,"moeGao_chi3cv_C":0.2887,"moeGao_chi3p":2.86,"moeGao_chi3p_C":2.336,"moeGao_chi3pv":1.49,"moeGao_chi3pv_C":1.351,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.817,"moeGao_chi4ca_C":1.278,"moeGao_chi4cav":0.7256,"moeGao_chi4cav_C":0.5915,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.478,"moeGao_chi4pc_C":1.107,"moeGao_chi4pcv":0.6911,"moeGao_chi4pcv_C":0.6108,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6559,"moe2D_diameter":5,"moe2D_kS_aaCH":5.363,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.695,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.004,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.938,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.229,"moe2D_logS":-1.971,"moe2D_mr":3.793,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":143.6,"moe2D_vdw_vol":186.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":119.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":84,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"3-(trifluoromethyl)benzonitrile(alphaalphaalpha-trifluoro-m-toluonitrile)","moeGao_Abra_L":4.221,"moeGao_Abra_R":0.55,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.161,"moeGao_Abra_pi":0.998,"moe2D_BCUT_PEOE_0":-2.186,"moe2D_BCUT_PEOE_1":-0.5748,"moe2D_BCUT_PEOE_2":0.6295,"moe2D_BCUT_PEOE_3":2.351,"moe2D_BCUT_SLOGP_0":-2.06,"moe2D_BCUT_SLOGP_1":-0.471,"moe2D_BCUT_SLOGP_2":0.7245,"moe2D_BCUT_SLOGP_3":2.458,"moe2D_BCUT_SMR_0":-1.974,"moe2D_BCUT_SMR_1":-0.4262,"moe2D_BCUT_SMR_2":0.778,"moe2D_BCUT_SMR_3":2.532,"moe2D_GCUT_PEOE_0":-0.7275,"moe2D_GCUT_PEOE_1":-0.3633,"moe2D_GCUT_PEOE_2":0.07035,"moe2D_GCUT_PEOE_3":2.044,"moe2D_GCUT_SLOGP_0":-0.5803,"moe2D_GCUT_SLOGP_1":-0.2438,"moe2D_GCUT_SLOGP_2":0.2602,"moe2D_GCUT_SLOGP_3":2.183,"moe2D_GCUT_SMR_0":-0.4644,"moe2D_GCUT_SMR_1":-0.1968,"moe2D_GCUT_SMR_2":0.1766,"moe2D_GCUT_SMR_3":2.294,"moe2D_Kier1":10.08,"moe2D_Kier2":3.806,"moe2D_Kier3":2.778,"moe2D_KierA1":6.709,"moe2D_KierA2":2.427,"moe2D_KierA3":1.712,"moe2D_KierFlex":1.357,"moe2D_PEOE_PC.":0.8757,"moe2D_PEOE_PC..1":-0.8757,"moe2D_PEOE_RPC.":0.4767,"moe2D_PEOE_RPC..1":0.218,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":41.78,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":9.046,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":24.51,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":53.47,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.941,"moe2D_PEOE_VSA_FNEG":0.6685,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0.059,"moe2D_PEOE_VSA_FPOS":0.3315,"moe2D_PEOE_VSA_FPPOS":0.059,"moe2D_PEOE_VSA_HYD":144.3,"moe2D_PEOE_VSA_NEG":102.5,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":9.046,"moe2D_PEOE_VSA_POS":50.82,"moe2D_PEOE_VSA_PPOS":9.046,"moe2D_Q_PC.":2.321,"moe2D_Q_PC..1":-2.321,"moe2D_Q_RPC.":0.5014,"moe2D_Q_RPC..1":0.2401,"moe2D_Q_VSA_FHYD":0.4598,"moe2D_Q_VSA_FNEG":0.6829,"moe2D_Q_VSA_FPNEG":0.3488,"moe2D_Q_VSA_FPOL":0.5402,"moe2D_Q_VSA_FPOS":0.3171,"moe2D_Q_VSA_FPPOS":0.1914,"moe2D_Q_VSA_HYD":70.5,"moe2D_Q_VSA_NEG":104.7,"moe2D_Q_VSA_PNEG":53.47,"moe2D_Q_VSA_POL":82.81,"moe2D_Q_VSA_POS":48.62,"moe2D_Q_VSA_PPOS":29.35,"moe2D_SMR":3.628,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":75.94,"moe2D_SMR_VSA2":7.76,"moe2D_SMR_VSA3":22.97,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":2.889,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":47.66,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":7.76,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":44.88,"moe2D_TPSA":23.79,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.44,"moe2D_VDistMa":6.868,"moe2D_Weight":171.1,"moe2D_a_IC":27.25,"moe2D_a_ICM":1.703,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":12,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":3,"moe2D_a_nH":4,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":19.52,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":16,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1667,"moe2D_b_single":9,"moe2D_b_triple":1,"moe2D_balabanJ":2.492,"moe2D_bpol":8.642,"moe2D_chi0":9.19,"moe2D_chi0_C":5.19,"moe2D_chi0v":5.891,"moe2D_chi0v_C":4.309,"moe2D_chi1":5.537,"moe2D_chi1_C":3.33,"moe2D_chi1v":3.112,"moe2D_chi1v_C":2.321,"moeGao_chi2_C":2.73,"moeGao_chi2v_C":1.581,"moeGao_chi3c":1.714,"moeGao_chi3c_C":0.3485,"moeGao_chi3cv":0.3008,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":3.585,"moeGao_chi3p_C":1.783,"moeGao_chi3pv":1.319,"moeGao_chi3pv_C":0.8626,"moeGao_chi4c":0.2887,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.448,"moeGao_chi4ca_C":1.291,"moeGao_chi4cav":0.7651,"moeGao_chi4cav_C":0.5192,"moeGao_chi4cv":0.0135,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.309,"moeGao_chi4pc_C":0.4476,"moeGao_chi4pcv":0.435,"moeGao_chi4pcv_C":0.1796,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9095,"moe2D_diameter":6,"moe2D_kS_aaCH":4.289,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":-0.7719,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":35.98,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-4.368,"moe2D_kS_tCH":0,"moe2D_kS_tNH":8.31,"moe2D_kS_tsC":1.639,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.538,"moe2D_logS":-2.792,"moe2D_mr":3.863,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":153.3,"moe2D_vdw_vol":188.2,"moe2D_vsa_acc":17.74,"moe2D_vsa_don":0,"moe2D_vsa_hyd":112.4,"moe2D_vsa_other":20.3,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":193,"moe2D_weinerPol":15,"moe2D_zagreb":58}
{"Molecule":"3-chloro-1-propanolol","moeGao_Abra_L":2.968,"moeGao_Abra_R":0.332,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.378,"moeGao_Abra_pi":0.606,"moe2D_BCUT_PEOE_0":-2.474,"moe2D_BCUT_PEOE_1":-0.2821,"moe2D_BCUT_PEOE_2":0.2906,"moe2D_BCUT_PEOE_3":2.466,"moe2D_BCUT_SLOGP_0":-2.493,"moe2D_BCUT_SLOGP_1":-0.1716,"moe2D_BCUT_SLOGP_2":0.5136,"moe2D_BCUT_SLOGP_3":2.48,"moe2D_BCUT_SMR_0":-2.242,"moe2D_BCUT_SMR_1":-0.1258,"moe2D_BCUT_SMR_2":0.5641,"moe2D_BCUT_SMR_3":2.699,"moe2D_GCUT_PEOE_0":-0.7998,"moe2D_GCUT_PEOE_1":-0.2906,"moe2D_GCUT_PEOE_2":-0.00561,"moe2D_GCUT_PEOE_3":1.82,"moe2D_GCUT_SLOGP_0":-0.8737,"moe2D_GCUT_SLOGP_1":-0.1541,"moe2D_GCUT_SLOGP_2":0.0768,"moe2D_GCUT_SLOGP_3":1.868,"moe2D_GCUT_SMR_0":-0.5193,"moe2D_GCUT_SMR_1":-0.1259,"moe2D_GCUT_SMR_2":0.2338,"moe2D_GCUT_SMR_3":2.04,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":6.77,"moe2D_KierA2":5.913,"moe2D_KierA3":6.719,"moe2D_KierFlex":8.007,"moe2D_PEOE_PC.":0.5366,"moe2D_PEOE_PC..1":-0.5366,"moe2D_PEOE_RPC.":0.3903,"moe2D_PEOE_RPC..1":0.7361,"moe2D_PEOE_VSA.0":43.03,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":29.58,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8324,"moe2D_PEOE_VSA_FNEG":0.4267,"moe2D_PEOE_VSA_FPNEG":0.07197,"moe2D_PEOE_VSA_FPOL":0.1676,"moe2D_PEOE_VSA_FPOS":0.5733,"moe2D_PEOE_VSA_FPPOS":0.09566,"moe2D_PEOE_VSA_HYD":89.84,"moe2D_PEOE_VSA_NEG":46.05,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":61.88,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.97,"moe2D_Q_PC..1":-0.97,"moe2D_Q_RPC.":0.4124,"moe2D_Q_RPC..1":0.701,"moe2D_Q_VSA_FHYD":0.3177,"moe2D_Q_VSA_FNEG":0.346,"moe2D_Q_VSA_FPNEG":0.346,"moe2D_Q_VSA_FPOL":0.6823,"moe2D_Q_VSA_FPOS":0.654,"moe2D_Q_VSA_FPPOS":0.3362,"moe2D_Q_VSA_HYD":34.29,"moe2D_Q_VSA_NEG":37.35,"moe2D_Q_VSA_PNEG":37.35,"moe2D_Q_VSA_POL":73.64,"moe2D_Q_VSA_POS":70.58,"moe2D_Q_VSA_PPOS":36.29,"moe2D_SMR":2.242,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":40.11,"moe2D_SMR_VSA7":39.15,"moe2D_SlogP":0.6076,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":40.11,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":39.15,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":94.54,"moe2D_a_IC":18.61,"moe2D_a_ICM":1.551,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":12,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":12.93,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":11,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.191,"moe2D_bpol":8.072,"moe2D_chi0":4.121,"moe2D_chi0_C":2.121,"moe2D_chi0v":3.702,"moe2D_chi0v_C":2.121,"moe2D_chi1":2.414,"moe2D_chi1_C":1,"moe2D_chi1v":2.118,"moe2D_chi1v_C":1,"moeGao_chi2_C":0.3536,"moeGao_chi2v_C":0.3536,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.559,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.1793,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8467,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.142,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":7.982,"moe2D_kS_ssCH2":1.488,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.592,"moe2D_logS":-0.3551,"moe2D_mr":2.303,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":107.9,"moe2D_vdw_vol":111.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":85.57,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"3-methoxy-4-hydroxybenzaldehyde(vanillin)","moeGao_Abra_L":5.285,"moeGao_Abra_R":0.907,"moeGao_Abra_acidity":0.322,"moeGao_Abra_basicity":0.715,"moeGao_Abra_pi":1.042,"moe2D_BCUT_PEOE_0":-2.253,"moe2D_BCUT_PEOE_1":-0.6516,"moe2D_BCUT_PEOE_2":0.631,"moe2D_BCUT_PEOE_3":2.227,"moe2D_BCUT_SLOGP_0":-2.246,"moe2D_BCUT_SLOGP_1":-0.5744,"moe2D_BCUT_SLOGP_2":0.7334,"moe2D_BCUT_SLOGP_3":2.408,"moe2D_BCUT_SMR_0":-1.971,"moe2D_BCUT_SMR_1":-0.4504,"moe2D_BCUT_SMR_2":0.8204,"moe2D_BCUT_SMR_3":2.525,"moe2D_GCUT_PEOE_0":-0.7819,"moe2D_GCUT_PEOE_1":-0.4409,"moe2D_GCUT_PEOE_2":0.03588,"moe2D_GCUT_PEOE_3":2.065,"moe2D_GCUT_SLOGP_0":-0.8869,"moe2D_GCUT_SLOGP_1":-0.3115,"moe2D_GCUT_SLOGP_2":0.1387,"moe2D_GCUT_SLOGP_3":2.226,"moe2D_GCUT_SMR_0":-0.4833,"moe2D_GCUT_SMR_1":-0.2175,"moe2D_GCUT_SMR_2":0.1701,"moe2D_GCUT_SMR_3":2.35,"moe2D_Kier1":9.091,"moe2D_Kier2":4.133,"moe2D_Kier3":2.215,"moe2D_KierA1":6.523,"moe2D_KierA2":2.855,"moe2D_KierA3":1.478,"moe2D_KierFlex":1.693,"moe2D_PEOE_PC.":1.095,"moe2D_PEOE_PC..1":-1.095,"moe2D_PEOE_RPC.":0.1986,"moe2D_PEOE_RPC..1":0.3263,"moe2D_PEOE_VSA.0":27.21,"moe2D_PEOE_VSA.1":25.59,"moe2D_PEOE_VSA.2":21.18,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":10.27,"moe2D_PEOE_VSA_FHYD":0.7909,"moe2D_PEOE_VSA_FNEG":0.3709,"moe2D_PEOE_VSA_FPNEG":0.1459,"moe2D_PEOE_VSA_FPOL":0.2091,"moe2D_PEOE_VSA_FPOS":0.6291,"moe2D_PEOE_VSA_FPPOS":0.06318,"moe2D_PEOE_VSA_HYD":129.3,"moe2D_PEOE_VSA_NEG":60.6,"moe2D_PEOE_VSA_PNEG":23.84,"moe2D_PEOE_VSA_POL":34.16,"moe2D_PEOE_VSA_POS":102.8,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.915,"moe2D_Q_PC..1":-1.915,"moe2D_Q_RPC.":0.235,"moe2D_Q_RPC..1":0.2977,"moe2D_Q_VSA_FHYD":0.5247,"moe2D_Q_VSA_FNEG":0.3709,"moe2D_Q_VSA_FPNEG":0.1459,"moe2D_Q_VSA_FPOL":0.4753,"moe2D_Q_VSA_FPOS":0.6291,"moe2D_Q_VSA_FPPOS":0.3294,"moe2D_Q_VSA_HYD":85.75,"moe2D_Q_VSA_NEG":60.6,"moe2D_Q_VSA_PNEG":23.84,"moe2D_Q_VSA_POL":77.66,"moe2D_Q_VSA_POS":102.8,"moe2D_Q_VSA_PPOS":53.83,"moe2D_SMR":4.005,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":36.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":13.67,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":55.53,"moe2D_SlogP":1.213,"moe2D_SlogP_VSA0":36.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":35.38,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":10.49,"moe2D_TPSA":46.53,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.385,"moe2D_VDistMa":6.607,"moe2D_Weight":152.1,"moe2D_a_IC":27.96,"moe2D_a_ICM":1.471,"moe2D_a_acc":3,"moe2D_a_aro":6,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":3,"moe2D_apol":21.82,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1818,"moe2D_b_ar":6,"moe2D_b_count":19,"moe2D_b_double":1,"moe2D_b_heavy":11,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1818,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2.416,"moe2D_bpol":11.62,"moe2D_chi0":8.268,"moe2D_chi0_C":5.56,"moe2D_chi0v":6.073,"moe2D_chi0v_C":4.809,"moe2D_chi1":5.274,"moe2D_chi1_C":2.875,"moe2D_chi1v":3.098,"moe2D_chi1v_C":2.027,"moeGao_chi2_C":2.15,"moeGao_chi2v_C":1.266,"moeGao_chi3c":0.6065,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.2197,"moeGao_chi3cv_C":0.09623,"moeGao_chi3p":3.573,"moeGao_chi3p_C":1.378,"moeGao_chi3pv":1.34,"moeGao_chi3pv_C":0.6813,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.452,"moeGao_chi4ca_C":0.8563,"moeGao_chi4cav":0.7675,"moeGao_chi4cav_C":0.3591,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.514,"moeGao_chi4pc_C":0.2622,"moeGao_chi4pcv":0.3926,"moeGao_chi4pcv_C":0.1037,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7681,"moe2D_diameter":6,"moe2D_kS_aaCH":4.412,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.8401,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.25,"moe2D_kS_dsCH":0.6964,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.434,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.09,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.779,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.516,"moe2D_logS":-1.079,"moe2D_mr":4.092,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":163.4,"moe2D_vdw_vol":198.1,"moe2D_vsa_acc":16.07,"moe2D_vsa_don":0,"moe2D_vsa_hyd":102.2,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":29.64,"moe2D_weinerPath":154,"moe2D_weinerPol":14,"moe2D_zagreb":50}
{"Molecule":"3-methyl-2-butanone-(isopropyl","moeGao_Abra_L":2.711,"moeGao_Abra_R":0.164,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.437,"moeGao_Abra_pi":0.559,"moe2D_BCUT_PEOE_0":-2.523,"moe2D_BCUT_PEOE_1":0.02363,"moe2D_BCUT_PEOE_2":0.03059,"moe2D_BCUT_PEOE_3":2.531,"moe2D_BCUT_SLOGP_0":-2.488,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.583,"moe2D_BCUT_SMR_0":-2.288,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.774,"moe2D_GCUT_PEOE_0":-0.7613,"moe2D_GCUT_PEOE_1":-0.1364,"moe2D_GCUT_PEOE_2":-0.1294,"moe2D_GCUT_PEOE_3":2.039,"moe2D_GCUT_SLOGP_0":-0.8303,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.092,"moe2D_GCUT_SMR_0":-0.5194,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.257,"moe2D_Kier1":6,"moe2D_Kier2":2.222,"moe2D_Kier3":3,"moe2D_KierA1":5.037,"moe2D_KierA2":1.787,"moe2D_KierA3":2.31,"moe2D_KierFlex":1.5,"moe2D_PEOE_PC.":0.4152,"moe2D_PEOE_PC..1":-0.4152,"moe2D_PEOE_RPC.":0.32,"moe2D_PEOE_RPC..1":0.7164,"moe2D_PEOE_VSA.0":42.65,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":37.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.8878,"moe2D_PEOE_VSA_FNEG":0.5773,"moe2D_PEOE_VSA_FPNEG":0.1122,"moe2D_PEOE_VSA_FPOL":0.1122,"moe2D_PEOE_VSA_FPOS":0.4227,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":107.4,"moe2D_PEOE_VSA_NEG":69.81,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":51.11,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8179,"moe2D_Q_VSA_FNEG":0.1122,"moe2D_Q_VSA_FPNEG":0.1122,"moe2D_Q_VSA_FPOL":0.1821,"moe2D_Q_VSA_FPOS":0.8878,"moe2D_Q_VSA_FPPOS":0.06995,"moe2D_Q_VSA_HYD":98.9,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":107.4,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":2.552,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":4.411,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":1.231,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":4.411,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.566,"moe2D_VDistMa":4.788,"moe2D_Weight":86.13,"moe2D_a_IC":19.17,"moe2D_a_ICM":1.198,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":16.27,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.2,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":1,"moe2D_b_heavy":5,"moe2D_b_rotN":1,"moe2D_b_rotR":0.2,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":3.077,"moe2D_bpol":11.89,"moe2D_chi0":5.155,"moe2D_chi0_C":4.155,"moe2D_chi0v":4.486,"moe2D_chi0v_C":4.077,"moe2D_chi1":2.643,"moe2D_chi1_C":2.065,"moe2D_chi1v":2.147,"moe2D_chi1v_C":1.943,"moeGao_chi2_C":1.577,"moeGao_chi2v_C":1.443,"moeGao_chi3c":0.6667,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.4065,"moeGao_chi3cv_C":0.2887,"moeGao_chi3p":1.333,"moeGao_chi3p_C":0.6667,"moeGao_chi3pv":0.8131,"moeGao_chi3pv_C":0.5774,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.333,"moeGao_chi4pc_C":0.3333,"moeGao_chi4pcv":0.6422,"moeGao_chi4pcv_C":0.2887,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6277,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.14,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.2593,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":5.384,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.213,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.942,"moe2D_logS":-0.3402,"moe2D_mr":2.627,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":120.9,"moe2D_vdw_vol":137.2,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":90.43,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":29,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"3-methyl-3-pentanol","moeGao_Abra_L":3.206,"moeGao_Abra_R":0.184,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.436,"moeGao_Abra_pi":0.37,"moe2D_BCUT_PEOE_0":-2.685,"moe2D_BCUT_PEOE_1":0.02307,"moe2D_BCUT_PEOE_2":0.04972,"moe2D_BCUT_PEOE_3":2.652,"moe2D_BCUT_SLOGP_0":-2.649,"moe2D_BCUT_SLOGP_1":0.05135,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.714,"moe2D_BCUT_SMR_0":-2.446,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1258,"moe2D_BCUT_SMR_3":2.888,"moe2D_GCUT_PEOE_0":-0.8048,"moe2D_GCUT_PEOE_1":-0.1451,"moe2D_GCUT_PEOE_2":-0.131,"moe2D_GCUT_PEOE_3":2.278,"moe2D_GCUT_SLOGP_0":-0.8748,"moe2D_GCUT_SLOGP_1":-0.112,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.353,"moe2D_GCUT_SMR_0":-0.5315,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.05223,"moe2D_GCUT_SMR_3":2.484,"moe2D_Kier1":7,"moe2D_Kier2":2.344,"moe2D_Kier3":2.667,"moe2D_KierA1":7,"moe2D_KierA2":2.344,"moe2D_KierA3":2.667,"moe2D_KierFlex":2.344,"moe2D_PEOE_PC.":0.6046,"moe2D_PEOE_PC..1":-0.6046,"moe2D_PEOE_RPC.":0.3476,"moe2D_PEOE_RPC..1":0.6432,"moe2D_PEOE_VSA.0":55.45,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.15,"moe2D_PEOE_VSA.1.1":37.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8771,"moe2D_PEOE_VSA_FNEG":0.5531,"moe2D_PEOE_VSA_FPNEG":0.05277,"moe2D_PEOE_VSA_FPOL":0.1229,"moe2D_PEOE_VSA_FPOS":0.4469,"moe2D_PEOE_VSA_FPPOS":0.07014,"moe2D_PEOE_VSA_HYD":129.1,"moe2D_PEOE_VSA_NEG":81.41,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":65.77,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8771,"moe2D_Q_VSA_FNEG":0.05277,"moe2D_Q_VSA_FPNEG":0.05277,"moe2D_Q_VSA_FPOL":0.1229,"moe2D_Q_VSA_FPOS":0.9472,"moe2D_Q_VSA_FPPOS":0.07014,"moe2D_Q_VSA_HYD":129.1,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":139.4,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.121,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":1.557,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.772,"moe2D_VDistMa":5.266,"moe2D_Weight":102.2,"moe2D_a_IC":23.43,"moe2D_a_ICM":1.116,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":21,"moe2D_a_don":1,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":20.7,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":20,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":2,"moe2D_b_rotR":0.3333,"moe2D_b_single":20,"moe2D_b_triple":0,"moe2D_balabanJ":3.36,"moe2D_bpol":15.3,"moe2D_chi0":5.914,"moe2D_chi0_C":4.914,"moe2D_chi0v":5.361,"moe2D_chi0v_C":4.914,"moe2D_chi1":3.121,"moe2D_chi1_C":2.621,"moe2D_chi1v":2.845,"moe2D_chi1v_C":2.621,"moeGao_chi2_C":1.664,"moeGao_chi2v_C":1.664,"moeGao_chi3c":1.207,"moeGao_chi3c_C":0.25,"moeGao_chi3cv":0.678,"moeGao_chi3cv_C":0.25,"moeGao_chi3p":1.914,"moeGao_chi3p_C":1.207,"moeGao_chi3pv":1.523,"moeGao_chi3pv_C":1.207,"moeGao_chi4c":0.25,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.25,"moeGao_chi4ca_C":0.25,"moeGao_chi4cav":0.25,"moeGao_chi4cav_C":0.25,"moeGao_chi4cv":0.1118,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.707,"moeGao_chi4pc_C":0.5,"moeGao_chi4pcv":1.04,"moeGao_chi4pcv_C":0.5,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6046,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":5.833,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.132,"moe2D_kS_ssCH2":1.701,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-0.4167,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.034,"moe2D_logS":-0.7732,"moe2D_mr":3.112,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":147.2,"moe2D_vdw_vol":169,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":119.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":44,"moe2D_weinerPol":6,"moe2D_zagreb":28}
{"Molecule":"3-methyl-butanal(isovalerylaldehyde)","moeGao_Abra_L":2.734,"moeGao_Abra_R":0.156,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.441,"moeGao_Abra_pi":0.583,"moe2D_BCUT_PEOE_0":-2.595,"moe2D_BCUT_PEOE_1":-0.1571,"moe2D_BCUT_PEOE_2":0.03412,"moe2D_BCUT_PEOE_3":2.56,"moe2D_BCUT_SLOGP_0":-2.501,"moe2D_BCUT_SLOGP_1":-0.06208,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.66,"moe2D_BCUT_SMR_0":-2.353,"moe2D_BCUT_SMR_1":0.03607,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.805,"moe2D_GCUT_PEOE_0":-0.7892,"moe2D_GCUT_PEOE_1":-0.2219,"moe2D_GCUT_PEOE_2":-0.1259,"moe2D_GCUT_PEOE_3":2.063,"moe2D_GCUT_SLOGP_0":-0.8086,"moe2D_GCUT_SLOGP_1":-0.1832,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.149,"moe2D_GCUT_SMR_0":-0.5297,"moe2D_GCUT_SMR_1":-0.09973,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.278,"moe2D_Kier1":6,"moe2D_Kier2":3.2,"moe2D_Kier3":5.333,"moe2D_KierA1":5.037,"moe2D_KierA2":2.574,"moe2D_KierA3":4.107,"moe2D_KierFlex":2.16,"moe2D_PEOE_PC.":0.4659,"moe2D_PEOE_PC..1":-0.4659,"moe2D_PEOE_RPC.":0.2587,"moe2D_PEOE_RPC..1":0.6461,"moe2D_PEOE_VSA.0":47.09,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":22.77,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":37.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":13.57,"moe2D_PEOE_VSA_FHYD":0.8878,"moe2D_PEOE_VSA_FNEG":0.4223,"moe2D_PEOE_VSA_FPNEG":0.1122,"moe2D_PEOE_VSA_FPOL":0.1122,"moe2D_PEOE_VSA_FPOS":0.5777,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":107.4,"moe2D_PEOE_VSA_NEG":51.06,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":69.86,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.7877,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7348,"moe2D_Q_VSA_FNEG":0.1122,"moe2D_Q_VSA_FPNEG":0.1122,"moe2D_Q_VSA_FPOL":0.2652,"moe2D_Q_VSA_FPOS":0.8878,"moe2D_Q_VSA_FPPOS":0.153,"moe2D_Q_VSA_HYD":88.85,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":107.4,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":2.552,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":4.411,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":86.8,"moe2D_SlogP":1.231,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":44.01,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":4.411,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.909,"moe2D_VDistMa":4.742,"moe2D_Weight":86.13,"moe2D_a_IC":19.17,"moe2D_a_ICM":1.198,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":16.27,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.4,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":1,"moe2D_b_heavy":5,"moe2D_b_rotN":2,"moe2D_b_rotR":0.4,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.661,"moe2D_bpol":11.89,"moe2D_chi0":4.992,"moe2D_chi0_C":3.992,"moe2D_chi0v":4.27,"moe2D_chi0v_C":3.862,"moe2D_chi1":2.77,"moe2D_chi1_C":2.063,"moe2D_chi1v":2.207,"moe2D_chi1v_C":1.971,"moeGao_chi2_C":1.683,"moeGao_chi2v_C":1.63,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0.4082,"moeGao_chi3cv":0.4082,"moeGao_chi3cv_C":0.4082,"moeGao_chi3p":0.866,"moeGao_chi3p_C":0.5774,"moeGao_chi3pv":0.5676,"moeGao_chi3pv_C":0.4714,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.5774,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.1925,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.2357,"moeGao_chi4pcv_C":0.2357,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6277,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.615,"moe2D_kS_dsCH":0.9491,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.044,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.6944,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.5301,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.446,"moe2D_logS":-0.8627,"moe2D_mr":2.658,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":120.9,"moe2D_vdw_vol":137.2,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":76.83,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":32,"moe2D_weinerPol":3,"moe2D_zagreb":20}
{"Molecule":"3-methylpyridine","moeGao_Abra_L":3.525,"moeGao_Abra_R":0.642,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.443,"moeGao_Abra_pi":0.726,"moe2D_BCUT_PEOE_0":-2.248,"moe2D_BCUT_PEOE_1":-0.4137,"moe2D_BCUT_PEOE_2":0.4477,"moe2D_BCUT_PEOE_3":2.205,"moe2D_BCUT_SLOGP_0":-2.118,"moe2D_BCUT_SLOGP_1":-0.3526,"moe2D_BCUT_SLOGP_2":0.54,"moe2D_BCUT_SLOGP_3":2.339,"moe2D_BCUT_SMR_0":-1.971,"moe2D_BCUT_SMR_1":-0.2655,"moe2D_BCUT_SMR_2":0.5992,"moe2D_BCUT_SMR_3":2.492,"moe2D_GCUT_PEOE_0":-0.7538,"moe2D_GCUT_PEOE_1":-0.3213,"moe2D_GCUT_PEOE_2":0.00833,"moe2D_GCUT_PEOE_3":1.894,"moe2D_GCUT_SLOGP_0":-0.7246,"moe2D_GCUT_SLOGP_1":-0.2367,"moe2D_GCUT_SLOGP_2":0.08867,"moe2D_GCUT_SLOGP_3":2.019,"moe2D_GCUT_SMR_0":-0.4789,"moe2D_GCUT_SMR_1":-0.1516,"moe2D_GCUT_SMR_2":0.1119,"moe2D_GCUT_SMR_3":2.178,"moe2D_Kier1":5.143,"moe2D_Kier2":2.344,"moe2D_Kier3":1.5,"moe2D_KierA1":3.384,"moe2D_KierA2":1.414,"moe2D_KierA3":0.8185,"moe2D_KierFlex":0.6837,"moe2D_PEOE_PC.":0.4329,"moe2D_PEOE_PC..1":-0.4329,"moe2D_PEOE_RPC.":0.1922,"moe2D_PEOE_RPC..1":0.6075,"moe2D_PEOE_VSA.0":46.29,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":33.21,"moe2D_PEOE_VSA.1.1":12.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":5.683,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9504,"moe2D_PEOE_VSA_FNEG":0.4467,"moe2D_PEOE_VSA_FPNEG":0.04963,"moe2D_PEOE_VSA_FPOL":0.04963,"moe2D_PEOE_VSA_FPOS":0.5533,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":108.8,"moe2D_PEOE_VSA_NEG":51.15,"moe2D_PEOE_VSA_PNEG":5.683,"moe2D_PEOE_VSA_POL":5.683,"moe2D_PEOE_VSA_POS":63.35,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.063,"moe2D_Q_PC..1":-1.063,"moe2D_Q_RPC.":0.1504,"moe2D_Q_RPC..1":0.583,"moe2D_Q_VSA_FHYD":0.9504,"moe2D_Q_VSA_FNEG":0.283,"moe2D_Q_VSA_FPNEG":0.04963,"moe2D_Q_VSA_FPOL":0.04963,"moe2D_Q_VSA_FPOS":0.717,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":108.8,"moe2D_Q_VSA_NEG":32.4,"moe2D_Q_VSA_PNEG":5.683,"moe2D_Q_VSA_POL":5.683,"moe2D_Q_VSA_POS":82.1,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":2.897,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":69.72,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.39,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":69.72,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":12.89,"moe2D_VAdjEq":0.8631,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.761,"moe2D_VDistMa":5.255,"moe2D_Weight":93.13,"moe2D_a_IC":18.14,"moe2D_a_ICM":1.296,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":16.33,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.215,"moe2D_bpol":8.972,"moe2D_chi0":5.113,"moe2D_chi0_C":4.406,"moe2D_chi0v":4.257,"moe2D_chi0v_C":3.809,"moe2D_chi1":3.394,"moe2D_chi1_C":2.394,"moe2D_chi1v":2.26,"moe2D_chi1v_C":1.744,"moeGao_chi2_C":1.747,"moeGao_chi2v_C":1.103,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0.2887,"moeGao_chi3cv":0.1667,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":1.894,"moeGao_chi3p_C":0.6969,"moeGao_chi3pv":0.8094,"moeGao_chi3pv_C":0.3591,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.307,"moeGao_chi4ca_C":0.3485,"moeGao_chi4cav":0.4481,"moeGao_chi4cav_C":0.1518,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0.2041,"moeGao_chi4pcv":0.1708,"moeGao_chi4pcv_C":0.09623,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6457,"moe2D_diameter":4,"moe2D_kS_aaCH":7.551,"moe2D_kS_aaN":3.884,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.211,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.021,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.142,"moe2D_logS":-0.2872,"moe2D_mr":3.047,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":114.5,"moe2D_vdw_vol":144.2,"moe2D_vsa_acc":5.683,"moe2D_vsa_don":0,"moe2D_vsa_hyd":103.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":42,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"3-pentanone-(diethyl","moeGao_Abra_L":2.889,"moeGao_Abra_R":0.179,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.419,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.469,"moe2D_BCUT_PEOE_1":0.02337,"moe2D_BCUT_PEOE_2":0.03388,"moe2D_BCUT_PEOE_3":2.489,"moe2D_BCUT_SLOGP_0":-2.415,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.561,"moe2D_BCUT_SMR_0":-2.234,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.733,"moe2D_GCUT_PEOE_0":-0.7471,"moe2D_GCUT_PEOE_1":-0.1366,"moe2D_GCUT_PEOE_2":-0.1261,"moe2D_GCUT_PEOE_3":1.996,"moe2D_GCUT_SLOGP_0":-0.8106,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.065,"moe2D_GCUT_SMR_0":-0.5148,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.216,"moe2D_Kier1":6,"moe2D_Kier2":3.2,"moe2D_Kier3":3,"moe2D_KierA1":5.037,"moe2D_KierA2":2.574,"moe2D_KierA3":2.31,"moe2D_KierFlex":2.16,"moe2D_PEOE_PC.":0.4146,"moe2D_PEOE_PC..1":-0.4146,"moe2D_PEOE_RPC.":0.3204,"moe2D_PEOE_RPC..1":0.7174,"moe2D_PEOE_VSA.0":60.06,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":37.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.8865,"moe2D_PEOE_VSA_FNEG":0.427,"moe2D_PEOE_VSA_FPNEG":0.1135,"moe2D_PEOE_VSA_FPOL":0.1135,"moe2D_PEOE_VSA_FPOS":0.573,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":106,"moe2D_PEOE_VSA_NEG":51.06,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":68.52,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8158,"moe2D_Q_VSA_FNEG":0.1135,"moe2D_Q_VSA_FPNEG":0.1135,"moe2D_Q_VSA_FPOL":0.1842,"moe2D_Q_VSA_FPOS":0.8865,"moe2D_Q_VSA_FPPOS":0.07074,"moe2D_Q_VSA_HYD":97.55,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":106,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":2.559,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":1.376,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.826,"moe2D_VDistMa":4.76,"moe2D_Weight":86.13,"moe2D_a_IC":19.17,"moe2D_a_ICM":1.198,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":16.27,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.4,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":1,"moe2D_b_heavy":5,"moe2D_b_rotN":2,"moe2D_b_rotR":0.4,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.837,"moe2D_bpol":11.89,"moe2D_chi0":4.992,"moe2D_chi0_C":3.992,"moe2D_chi0v":4.322,"moe2D_chi0v_C":3.914,"moe2D_chi1":2.808,"moe2D_chi1_C":2.231,"moe2D_chi1v":2.325,"moe2D_chi1v_C":2.121,"moeGao_chi2_C":1.105,"moeGao_chi2v_C":0.9571,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1021,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.394,"moeGao_chi3p_C":0.5774,"moeGao_chi3pv":0.7887,"moeGao_chi3pv_C":0.5,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.2887,"moeGao_chi4ca_C":0.2887,"moeGao_chi4cav":0.25,"moeGao_chi4cav_C":0.25,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.5774,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2041,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6277,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.18,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.3426,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.762,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.382,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.047,"moe2D_logS":-0.3402,"moe2D_mr":2.664,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":119.6,"moe2D_vdw_vol":137.2,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":90.43,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":31,"moe2D_weinerPol":4,"moe2D_zagreb":20}
{"Molecule":"3-pyridinecarboxaldehyde","moeGao_Abra_L":4.168,"moeGao_Abra_R":0.773,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.781,"moeGao_Abra_pi":1.221,"moe2D_BCUT_PEOE_0":-2.103,"moe2D_BCUT_PEOE_1":-0.578,"moe2D_BCUT_PEOE_2":0.6555,"moe2D_BCUT_PEOE_3":2.115,"moe2D_BCUT_SLOGP_0":-2.049,"moe2D_BCUT_SLOGP_1":-0.4894,"moe2D_BCUT_SLOGP_2":0.7429,"moe2D_BCUT_SLOGP_3":2.191,"moe2D_BCUT_SMR_0":-1.796,"moe2D_BCUT_SMR_1":-0.4497,"moe2D_BCUT_SMR_2":0.7904,"moe2D_BCUT_SMR_3":2.422,"moe2D_GCUT_PEOE_0":-0.7447,"moe2D_GCUT_PEOE_1":-0.3519,"moe2D_GCUT_PEOE_2":0.07906,"moe2D_GCUT_PEOE_3":1.846,"moe2D_GCUT_SLOGP_0":-0.773,"moe2D_GCUT_SLOGP_1":-0.2552,"moe2D_GCUT_SLOGP_2":0.1514,"moe2D_GCUT_SLOGP_3":1.924,"moe2D_GCUT_SMR_0":-0.4018,"moe2D_GCUT_SMR_1":-0.2002,"moe2D_GCUT_SMR_2":0.1765,"moe2D_GCUT_SMR_3":2.138,"moe2D_Kier1":6.125,"moe2D_Kier2":3.111,"moe2D_Kier3":1.8,"moe2D_KierA1":3.717,"moe2D_KierA2":1.729,"moe2D_KierA3":0.924,"moe2D_KierFlex":0.8032,"moe2D_PEOE_PC.":0.6498,"moe2D_PEOE_PC..1":-0.6498,"moe2D_PEOE_RPC.":0.2334,"moe2D_PEOE_RPC..1":0.455,"moe2D_PEOE_VSA.0":35.7,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":19.25,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.8386,"moe2D_PEOE_VSA_FNEG":0.3668,"moe2D_PEOE_VSA_FPNEG":0.1614,"moe2D_PEOE_VSA_FPOL":0.1614,"moe2D_PEOE_VSA_FPOS":0.6332,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":100,"moe2D_PEOE_VSA_NEG":43.76,"moe2D_PEOE_VSA_PNEG":19.25,"moe2D_PEOE_VSA_POL":19.25,"moe2D_PEOE_VSA_POS":75.53,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.49,"moe2D_Q_PC..1":-1.49,"moe2D_Q_RPC.":0.2844,"moe2D_Q_RPC..1":0.4161,"moe2D_Q_VSA_FHYD":0.6835,"moe2D_Q_VSA_FNEG":0.3668,"moe2D_Q_VSA_FPNEG":0.1614,"moe2D_Q_VSA_FPOL":0.3165,"moe2D_Q_VSA_FPOS":0.6332,"moe2D_Q_VSA_FPPOS":0.1551,"moe2D_Q_VSA_HYD":81.54,"moe2D_Q_VSA_NEG":43.76,"moe2D_Q_VSA_PNEG":19.25,"moe2D_Q_VSA_POL":37.75,"moe2D_Q_VSA_POS":75.53,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":2.962,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":69.72,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":20.15,"moe2D_SlogP":0.8941,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":69.72,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":29.96,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.06,"moe2D_VDistMa":5.642,"moe2D_Weight":107.1,"moe2D_a_IC":20.99,"moe2D_a_ICM":1.614,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":15.8,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.125,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":1,"moe2D_b_heavy":8,"moe2D_b_rotN":1,"moe2D_b_rotR":0.125,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.2,"moe2D_bpol":7.744,"moe2D_chi0":5.82,"moe2D_chi0_C":4.113,"moe2D_chi0v":4.242,"moe2D_chi0v_C":3.387,"moe2D_chi1":3.932,"moe2D_chi1_C":2.225,"moe2D_chi1v":2.285,"moe2D_chi1v_C":1.533,"moeGao_chi2_C":1.508,"moeGao_chi2v_C":0.8591,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.09623,"moeGao_chi3cv_C":0.09623,"moeGao_chi3p":2.302,"moeGao_chi3p_C":0.6124,"moeGao_chi3pv":0.8205,"moeGao_chi3pv_C":0.2887,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.595,"moeGao_chi4ca_C":0.2887,"moeGao_chi4cav":0.4457,"moeGao_chi4cav_C":0.1111,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0.1443,"moeGao_chi4pcv":0.1379,"moeGao_chi4pcv_C":0.05556,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7367,"moe2D_diameter":5,"moe2D_kS_aaCH":6.587,"moe2D_kS_aaN":3.724,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.6181,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.966,"moe2D_kS_dsCH":0.7708,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.6,"moe2D_logS":-0.1329,"moe2D_mr":3.186,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":119.3,"moe2D_vdw_vol":145.4,"moe2D_vsa_acc":19.25,"moe2D_vsa_don":0,"moe2D_vsa_hyd":74.42,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":19.25,"moe2D_weinerPath":64,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"3-pyridinepropanol","moeGao_Abra_L":5.373,"moeGao_Abra_R":0.807,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.743,"moeGao_Abra_pi":1.048,"moe2D_BCUT_PEOE_0":-2.52,"moe2D_BCUT_PEOE_1":-0.6208,"moe2D_BCUT_PEOE_2":0.6892,"moe2D_BCUT_PEOE_3":2.492,"moe2D_BCUT_SLOGP_0":-2.502,"moe2D_BCUT_SLOGP_1":-0.5748,"moe2D_BCUT_SLOGP_2":0.6366,"moe2D_BCUT_SLOGP_3":2.536,"moe2D_BCUT_SMR_0":-2.28,"moe2D_BCUT_SMR_1":-0.4958,"moe2D_BCUT_SMR_2":0.8095,"moe2D_BCUT_SMR_3":2.734,"moe2D_GCUT_PEOE_0":-0.8016,"moe2D_GCUT_PEOE_1":-0.3744,"moe2D_GCUT_PEOE_2":0.1127,"moe2D_GCUT_PEOE_3":2.167,"moe2D_GCUT_SLOGP_0":-0.8737,"moe2D_GCUT_SLOGP_1":-0.2961,"moe2D_GCUT_SLOGP_2":0.05028,"moe2D_GCUT_SLOGP_3":2.245,"moe2D_GCUT_SMR_0":-0.5237,"moe2D_GCUT_SMR_1":-0.2236,"moe2D_GCUT_SMR_2":0.1993,"moe2D_GCUT_SMR_3":2.42,"moe2D_Kier1":8.1,"moe2D_Kier2":4.76,"moe2D_Kier3":3.111,"moe2D_KierA1":6.143,"moe2D_KierA2":3.485,"moe2D_KierA3":2.212,"moe2D_KierFlex":2.141,"moe2D_PEOE_PC.":0.8361,"moe2D_PEOE_PC..1":-0.8361,"moe2D_PEOE_RPC.":0.2504,"moe2D_PEOE_RPC..1":0.4724,"moe2D_PEOE_VSA.0":65.5,"moe2D_PEOE_VSA.1":25.59,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":31.87,"moe2D_PEOE_VSA.1.1":12.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":5.683,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8505,"moe2D_PEOE_VSA_FNEG":0.3621,"moe2D_PEOE_VSA_FPNEG":0.0846,"moe2D_PEOE_VSA_FPOL":0.1495,"moe2D_PEOE_VSA_FPOS":0.6379,"moe2D_PEOE_VSA_FPPOS":0.06494,"moe2D_PEOE_VSA_HYD":135.2,"moe2D_PEOE_VSA_NEG":57.57,"moe2D_PEOE_VSA_PNEG":13.45,"moe2D_PEOE_VSA_POL":23.77,"moe2D_PEOE_VSA_POS":101.4,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.744,"moe2D_Q_PC..1":-1.744,"moe2D_Q_RPC.":0.2294,"moe2D_Q_RPC..1":0.39,"moe2D_Q_VSA_FHYD":0.7564,"moe2D_Q_VSA_FNEG":0.2526,"moe2D_Q_VSA_FPNEG":0.0846,"moe2D_Q_VSA_FPOL":0.2436,"moe2D_Q_VSA_FPOS":0.7474,"moe2D_Q_VSA_FPPOS":0.159,"moe2D_Q_VSA_HYD":120.3,"moe2D_Q_VSA_NEG":40.17,"moe2D_Q_VSA_PNEG":13.45,"moe2D_Q_VSA_POL":38.73,"moe2D_Q_VSA_POS":118.8,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":3.964,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":42.17,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":107.5,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.006,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":18.87,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":69.72,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":33.12,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.566,"moe2D_VDistMa":6.273,"moe2D_Weight":137.2,"moe2D_a_IC":30.18,"moe2D_a_ICM":1.437,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":21,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":23.32,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.3,"moe2D_b_ar":6,"moe2D_b_count":21,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":3,"moe2D_b_rotR":0.3,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.047,"moe2D_bpol":13.35,"moe2D_chi0":7.234,"moe2D_chi0_C":5.527,"moe2D_chi0v":5.825,"moe2D_chi0v_C":4.931,"moe2D_chi1":4.932,"moe2D_chi1_C":3.225,"moe2D_chi1v":3.43,"moe2D_chi1v_C":2.598,"moeGao_chi2_C":2.15,"moeGao_chi2v_C":1.538,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":2.691,"moeGao_chi3p_C":1.225,"moeGao_chi3pv":1.346,"moeGao_chi3pv_C":0.7758,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.969,"moeGao_chi4ca_C":0.7217,"moeGao_chi4cav":0.8292,"moeGao_chi4cav_C":0.4111,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.433,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.2041,"moeGao_chi4pcv_C":0.1514,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6805,"moe2D_diameter":7,"moe2D_kS_aaCH":7.507,"moe2D_kS_aaN":3.956,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.191,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.507,"moe2D_kS_ssCH2":2.005,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.681,"moe2D_logS":-0.161,"moe2D_mr":4.179,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":159,"moe2D_vdw_vol":201.6,"moe2D_vsa_acc":5.683,"moe2D_vsa_don":0,"moe2D_vsa_hyd":128.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":19.25,"moe2D_weinerPath":133,"moe2D_weinerPol":9,"moe2D_zagreb":42}
{"Molecule":"4-(dimethylamino)benzaldehyde","moeGao_Abra_L":5.729,"moeGao_Abra_R":1.045,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.795,"moeGao_Abra_pi":1.244,"moe2D_BCUT_PEOE_0":-2.472,"moe2D_BCUT_PEOE_1":-0.4905,"moe2D_BCUT_PEOE_2":0.4236,"moe2D_BCUT_PEOE_3":2.347,"moe2D_BCUT_SLOGP_0":-2.537,"moe2D_BCUT_SLOGP_1":-0.451,"moe2D_BCUT_SLOGP_2":0.5336,"moe2D_BCUT_SLOGP_3":2.396,"moe2D_BCUT_SMR_0":-2.146,"moe2D_BCUT_SMR_1":-0.2452,"moe2D_BCUT_SMR_2":0.6591,"moe2D_BCUT_SMR_3":2.675,"moe2D_GCUT_PEOE_0":-0.8429,"moe2D_GCUT_PEOE_1":-0.3834,"moe2D_GCUT_PEOE_2":-0.08306,"moe2D_GCUT_PEOE_3":2.171,"moe2D_GCUT_SLOGP_0":-0.9807,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.0802,"moe2D_GCUT_SLOGP_3":2.279,"moe2D_GCUT_SMR_0":-0.4799,"moe2D_GCUT_SMR_1":-0.1509,"moe2D_GCUT_SMR_2":0.1282,"moe2D_GCUT_SMR_3":2.475,"moe2D_Kier1":9.091,"moe2D_Kier2":4.133,"moe2D_Kier3":2.5,"moe2D_KierA1":6.169,"moe2D_KierA2":2.681,"moe2D_KierA3":1.557,"moe2D_KierFlex":1.504,"moe2D_PEOE_PC.":0.7787,"moe2D_PEOE_PC..1":-0.7787,"moe2D_PEOE_RPC.":0.1929,"moe2D_PEOE_RPC..1":0.3797,"moe2D_PEOE_VSA.0":34.5,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":70.99,"moe2D_PEOE_VSA.1.1":24.51,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.926,"moe2D_PEOE_VSA_FNEG":0.5947,"moe2D_PEOE_VSA_FPNEG":0.07398,"moe2D_PEOE_VSA_FPOL":0.07398,"moe2D_PEOE_VSA_FPOS":0.4053,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":169.8,"moe2D_PEOE_VSA_NEG":109.1,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":74.33,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":2.008,"moe2D_Q_PC..1":-2.008,"moe2D_Q_RPC.":0.211,"moe2D_Q_RPC..1":0.4174,"moe2D_Q_VSA_FHYD":0.5717,"moe2D_Q_VSA_FNEG":0.3413,"moe2D_Q_VSA_FPNEG":0.07398,"moe2D_Q_VSA_FPOL":0.4283,"moe2D_Q_VSA_FPOS":0.6587,"moe2D_Q_VSA_FPPOS":0.3543,"moe2D_Q_VSA_HYD":104.8,"moe2D_Q_VSA_NEG":62.59,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":78.55,"moe2D_Q_VSA_POS":120.8,"moe2D_Q_VSA_PPOS":64.98,"moe2D_SMR":4.616,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":3.124,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":85.94,"moe2D_SlogP":1.565,"moe2D_SlogP_VSA0":3.124,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":65.79,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":2.757,"moe2D_TPSA":20.31,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.541,"moe2D_VDistMa":6.574,"moe2D_Weight":149.2,"moe2D_a_IC":31.52,"moe2D_a_ICM":1.433,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":22,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":25.08,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1818,"moe2D_b_ar":6,"moe2D_b_count":22,"moe2D_b_double":1,"moe2D_b_heavy":11,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1818,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.279,"moe2D_bpol":14.96,"moe2D_chi0":8.268,"moe2D_chi0_C":6.69,"moe2D_chi0v":6.742,"moe2D_chi0v_C":5.887,"moe2D_chi1":5.236,"moe2D_chi1_C":3.041,"moe2D_chi1v":3.464,"moe2D_chi1v_C":2.11,"moeGao_chi2_C":2.309,"moeGao_chi2v_C":1.333,"moeGao_chi3c":0.7041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.3944,"moeGao_chi3cv_C":0.09623,"moeGao_chi3p":3.412,"moeGao_chi3p_C":1.558,"moeGao_chi3pv":1.546,"moeGao_chi3pv_C":0.744,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.263,"moeGao_chi4ca_C":0.9958,"moeGao_chi4cav":0.851,"moeGao_chi4cav_C":0.3998,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.533,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.6437,"moeGao_chi4pcv_C":0.1111,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6744,"moe2D_diameter":7,"moe2D_kS_aaCH":7.456,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.825,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.27,"moe2D_kS_dsCH":0.8467,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.936,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":1.995,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.748,"moe2D_logS":-1.318,"moe2D_mr":4.56,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":183.4,"moe2D_vdw_vol":221.2,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":139.9,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":162,"moe2D_weinerPol":13,"moe2D_zagreb":50}
{"Molecule":"4-acetylpyridine","moeGao_Abra_L":4.644,"moeGao_Abra_R":0.781,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.777,"moeGao_Abra_pi":1.197,"moe2D_BCUT_PEOE_0":-2.207,"moe2D_BCUT_PEOE_1":-0.6222,"moe2D_BCUT_PEOE_2":0.7058,"moe2D_BCUT_PEOE_3":2.262,"moe2D_BCUT_SLOGP_0":-2.193,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.7323,"moe2D_BCUT_SLOGP_3":2.296,"moe2D_BCUT_SMR_0":-1.945,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.539,"moe2D_GCUT_PEOE_0":-0.7477,"moe2D_GCUT_PEOE_1":-0.3566,"moe2D_GCUT_PEOE_2":0.09662,"moe2D_GCUT_PEOE_3":1.973,"moe2D_GCUT_SLOGP_0":-0.7794,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.045,"moe2D_GCUT_SMR_0":-0.4681,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.255,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":2,"moe2D_KierA1":4.605,"moe2D_KierA2":1.966,"moe2D_KierA3":1.138,"moe2D_KierFlex":1.006,"moe2D_PEOE_PC.":0.6232,"moe2D_PEOE_PC..1":-0.6232,"moe2D_PEOE_RPC.":0.2571,"moe2D_PEOE_RPC..1":0.4691,"moe2D_PEOE_VSA.0":48.5,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":8.459,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":43.26,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":19.25,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.859,"moe2D_PEOE_VSA_FNEG":0.4578,"moe2D_PEOE_VSA_FPNEG":0.141,"moe2D_PEOE_VSA_FPOL":0.141,"moe2D_PEOE_VSA_FPOS":0.5422,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":117.3,"moe2D_PEOE_VSA_NEG":62.51,"moe2D_PEOE_VSA_PNEG":19.25,"moe2D_PEOE_VSA_POL":19.25,"moe2D_PEOE_VSA_POS":74.02,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.49,"moe2D_Q_PC..1":-1.49,"moe2D_Q_RPC.":0.2838,"moe2D_Q_RPC..1":0.4161,"moe2D_Q_VSA_FHYD":0.797,"moe2D_Q_VSA_FNEG":0.3205,"moe2D_Q_VSA_FPNEG":0.141,"moe2D_Q_VSA_FPOL":0.203,"moe2D_Q_VSA_FPOS":0.6795,"moe2D_Q_VSA_FPPOS":0.06196,"moe2D_Q_VSA_HYD":108.8,"moe2D_Q_VSA_NEG":43.76,"moe2D_Q_VSA_PNEG":19.25,"moe2D_Q_VSA_POL":27.71,"moe2D_Q_VSA_POS":92.76,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":3.424,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":69.72,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.284,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":22.47,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":69.72,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":29.96,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.15,"moe2D_VDistMa":6.005,"moe2D_Weight":121.1,"moe2D_a_IC":24.7,"moe2D_a_ICM":1.544,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":18.89,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":16,"moe2D_b_double":1,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":2.291,"moe2D_bpol":9.93,"moe2D_chi0":6.69,"moe2D_chi0_C":4.983,"moe2D_chi0v":5.165,"moe2D_chi0v_C":4.309,"moe2D_chi1":4.305,"moe2D_chi1_C":2.727,"moe2D_chi1v":2.715,"moe2D_chi1v_C":1.994,"moeGao_chi2_C":1.671,"moeGao_chi2v_C":1.039,"moeGao_chi3c":0.5,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.1854,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":2.593,"moeGao_chi3p_C":1.213,"moeGao_chi3pv":1.087,"moeGao_chi3pv_C":0.6478,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.801,"moeGao_chi4ca_C":0.4777,"moeGao_chi4cav":0.5866,"moeGao_chi4cav_C":0.2222,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.04,"moeGao_chi4pc_C":0.4024,"moeGao_chi4pcv":0.3314,"moeGao_chi4pcv_C":0.1796,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7133,"moe2D_diameter":5,"moe2D_kS_aaCH":6.609,"moe2D_kS_aaN":3.776,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.713,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.62,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.08093,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.537,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.527,"moe2D_logS":-0.439,"moe2D_mr":3.63,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":136.5,"moe2D_vdw_vol":169.8,"moe2D_vsa_acc":19.25,"moe2D_vsa_don":0,"moe2D_vsa_hyd":103.8,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":19.25,"moe2D_weinerPath":88,"moe2D_weinerPol":9,"moe2D_zagreb":40}
{"Molecule":"4-aminopropiophenone","moeGao_Abra_L":6.142,"moeGao_Abra_R":1.078,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.731,"moeGao_Abra_pi":1.458,"moe2D_BCUT_PEOE_0":-2.381,"moe2D_BCUT_PEOE_1":-0.6442,"moe2D_BCUT_PEOE_2":0.6546,"moe2D_BCUT_PEOE_3":2.403,"moe2D_BCUT_SLOGP_0":-2.347,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.7042,"moe2D_BCUT_SLOGP_3":2.484,"moe2D_BCUT_SMR_0":-2.142,"moe2D_BCUT_SMR_1":-0.4667,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.663,"moe2D_GCUT_PEOE_0":-0.8129,"moe2D_GCUT_PEOE_1":-0.3834,"moe2D_GCUT_PEOE_2":0.08188,"moe2D_GCUT_PEOE_3":2.164,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.276,"moe2D_GCUT_SMR_0":-0.5091,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.453,"moe2D_Kier1":9.091,"moe2D_Kier2":4.133,"moe2D_Kier3":2.5,"moe2D_KierA1":6.169,"moe2D_KierA2":2.681,"moe2D_KierA3":1.557,"moe2D_KierFlex":1.504,"moe2D_PEOE_PC.":0.8391,"moe2D_PEOE_PC..1":-0.8391,"moe2D_PEOE_RPC.":0.1942,"moe2D_PEOE_RPC..1":0.3602,"moe2D_PEOE_VSA.0":38.94,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":8.459,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.8808,"moe2D_PEOE_VSA_FNEG":0.5185,"moe2D_PEOE_VSA_FPNEG":0.1192,"moe2D_PEOE_VSA_FPOL":0.1192,"moe2D_PEOE_VSA_FPOS":0.4815,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":149.5,"moe2D_PEOE_VSA_NEG":87.99,"moe2D_PEOE_VSA_PNEG":20.22,"moe2D_PEOE_VSA_POL":20.22,"moe2D_PEOE_VSA_POS":81.69,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":2.07,"moe2D_Q_PC..1":-2.07,"moe2D_Q_RPC.":0.2043,"moe2D_Q_RPC..1":0.4348,"moe2D_Q_VSA_FHYD":0.7294,"moe2D_Q_VSA_FNEG":0.408,"moe2D_Q_VSA_FPNEG":0.1192,"moe2D_Q_VSA_FPOL":0.2706,"moe2D_Q_VSA_FPOS":0.592,"moe2D_Q_VSA_FPPOS":0.1514,"moe2D_Q_VSA_HYD":123.8,"moe2D_Q_VSA_NEG":69.24,"moe2D_Q_VSA_PNEG":20.22,"moe2D_Q_VSA_POL":45.91,"moe2D_Q_VSA_POS":100.4,"moe2D_Q_VSA_PPOS":25.7,"moe2D_SMR":4.548,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":122.3,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.862,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":36.08,"moe2D_TPSA":43.09,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.512,"moe2D_VDistMa":6.584,"moe2D_Weight":149.2,"moe2D_a_IC":31.52,"moe2D_a_ICM":1.433,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":22,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":25.08,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1818,"moe2D_b_ar":6,"moe2D_b_count":22,"moe2D_b_double":1,"moe2D_b_heavy":11,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1818,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.307,"moe2D_bpol":12.32,"moe2D_chi0":8.268,"moe2D_chi0_C":6.268,"moe2D_chi0v":6.502,"moe2D_chi0v_C":5.517,"moe2D_chi1":5.236,"moe2D_chi1_C":4.082,"moe2D_chi1v":3.625,"moe2D_chi1v_C":3.132,"moeGao_chi2_C":2.847,"moeGao_chi2v_C":1.819,"moeGao_chi3c":0.691,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.2517,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":3.509,"moeGao_chi3p_C":2.052,"moeGao_chi3pv":1.554,"moeGao_chi3pv_C":1.099,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.188,"moeGao_chi4ca_C":1.522,"moeGao_chi4cav":0.8731,"moeGao_chi4cav_C":0.7089,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.498,"moeGao_chi4pc_C":0.3536,"moeGao_chi4pcv":0.4558,"moeGao_chi4pcv_C":0.1552,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6843,"moe2D_diameter":7,"moe2D_kS_aaCH":6.98,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.43,"moe2D_kS_dCH2":0,"moe2D_kS_dO":11.08,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.1574,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.846,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.457,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.5456,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.562,"moe2D_logS":-1.62,"moe2D_mr":4.533,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":169.7,"moe2D_vdw_vol":218,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":117.4,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":31.31,"moe2D_weinerPath":160,"moe2D_weinerPol":13,"moe2D_zagreb":50}
{"Molecule":"4-benzoylpyridine","moeGao_Abra_L":7.292,"moeGao_Abra_R":1.405,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.825,"moeGao_Abra_pi":1.623,"moe2D_BCUT_PEOE_0":-2.2,"moe2D_BCUT_PEOE_1":-0.6393,"moe2D_BCUT_PEOE_2":0.7142,"moe2D_BCUT_PEOE_3":2.22,"moe2D_BCUT_SLOGP_0":-2.139,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.303,"moe2D_BCUT_SMR_0":-1.879,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.542,"moe2D_GCUT_PEOE_0":-0.7512,"moe2D_GCUT_PEOE_1":-0.3775,"moe2D_GCUT_PEOE_2":0.0911,"moe2D_GCUT_PEOE_3":2.18,"moe2D_GCUT_SLOGP_0":-0.7779,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.279,"moe2D_GCUT_SMR_0":-0.4069,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.483,"moe2D_Kier1":10.52,"moe2D_Kier2":5.186,"moe2D_Kier3":2.75,"moe2D_KierA1":6.626,"moe2D_KierA2":3.137,"moe2D_KierA3":1.612,"moe2D_KierFlex":1.484,"moe2D_PEOE_PC.":0.9011,"moe2D_PEOE_PC..1":-0.9011,"moe2D_PEOE_RPC.":0.2144,"moe2D_PEOE_RPC..1":0.3181,"moe2D_PEOE_VSA.0":37.91,"moe2D_PEOE_VSA.1":38.39,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":8.459,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":61.27,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":19.25,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.8986,"moe2D_PEOE_VSA_FNEG":0.5534,"moe2D_PEOE_VSA_FPNEG":0.1014,"moe2D_PEOE_VSA_FPOL":0.1014,"moe2D_PEOE_VSA_FPOS":0.4466,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":170.5,"moe2D_PEOE_VSA_NEG":105,"moe2D_PEOE_VSA_PNEG":19.25,"moe2D_PEOE_VSA_POL":19.25,"moe2D_PEOE_VSA_POS":84.76,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":2.24,"moe2D_Q_PC..1":-2.24,"moe2D_Q_RPC.":0.1775,"moe2D_Q_RPC..1":0.2768,"moe2D_Q_VSA_FHYD":0.854,"moe2D_Q_VSA_FNEG":0.5534,"moe2D_Q_VSA_FPNEG":0.1014,"moe2D_Q_VSA_FPOL":0.146,"moe2D_Q_VSA_FPOS":0.4466,"moe2D_Q_VSA_FPPOS":0.04457,"moe2D_Q_VSA_HYD":162.1,"moe2D_Q_VSA_NEG":105,"moe2D_Q_VSA_PNEG":19.25,"moe2D_Q_VSA_POL":27.71,"moe2D_Q_VSA_POS":84.76,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":5.411,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":157.9,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":0,"moe2D_SlogP":2.313,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":22.47,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":30.23,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":157.9,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":29.96,"moe2D_VAdjEq":0.6174,"moe2D_VAdjMa":4.907,"moe2D_VDistEq":2.742,"moe2D_VDistMa":7.303,"moe2D_Weight":183.2,"moe2D_a_IC":32.49,"moe2D_a_ICM":1.413,"moe2D_a_acc":2,"moe2D_a_aro":12,"moe2D_a_count":23,"moe2D_a_don":0,"moe2D_a_heavy":14,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":9,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":29.02,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1333,"moe2D_b_ar":12,"moe2D_b_count":24,"moe2D_b_double":1,"moe2D_b_heavy":15,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1333,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":1.841,"moe2D_bpol":12.12,"moe2D_chi0":9.803,"moe2D_chi0_C":8.096,"moe2D_chi0v":7.552,"moe2D_chi0v_C":6.696,"moe2D_chi1":6.877,"moe2D_chi1_C":5.3,"moe2D_chi1v":4.375,"moe2D_chi1v_C":3.655,"moeGao_chi2_C":3.928,"moeGao_chi2v_C":2.28,"moeGao_chi3c":0.5258,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.2177,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":4.787,"moeGao_chi3p_C":2.936,"moeGao_chi3pv":1.978,"moeGao_chi3pv_C":1.422,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.705,"moeGao_chi4ca_C":2.048,"moeGao_chi4cav":1.259,"moeGao_chi4cav_C":0.827,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.542,"moeGao_chi4pc_C":0.6639,"moeGao_chi4pcv":0.4617,"moeGao_chi4pcv_C":0.2758,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7036,"moe2D_diameter":8,"moe2D_kS_aaCH":15.9,"moe2D_kS_aaN":3.869,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.38,"moe2D_kS_dCH2":0,"moe2D_kS_dO":11.82,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.03519,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.189,"moe2D_logS":-2.2,"moe2D_mr":5.667,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":189.8,"moe2D_vdw_vol":260.4,"moe2D_vsa_acc":19.25,"moe2D_vsa_don":0,"moe2D_vsa_hyd":155.7,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":19.25,"moe2D_weinerPath":307,"moe2D_weinerPol":18,"moe2D_zagreb":68}
{"Molecule":"4-bromoaniline","moeGao_Abra_L":5.3,"moeGao_Abra_R":1.239,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.356,"moeGao_Abra_pi":1.223,"moe2D_BCUT_PEOE_0":-2.212,"moe2D_BCUT_PEOE_1":-0.6095,"moe2D_BCUT_PEOE_2":0.6541,"moe2D_BCUT_PEOE_3":2.13,"moe2D_BCUT_SLOGP_0":-2.324,"moe2D_BCUT_SLOGP_1":-0.4288,"moe2D_BCUT_SLOGP_2":0.8702,"moe2D_BCUT_SLOGP_3":2.337,"moe2D_BCUT_SMR_0":-1.856,"moe2D_BCUT_SMR_1":-0.3905,"moe2D_BCUT_SMR_2":0.9325,"moe2D_BCUT_SMR_3":2.493,"moe2D_GCUT_PEOE_0":-0.8128,"moe2D_GCUT_PEOE_1":-0.3745,"moe2D_GCUT_PEOE_2":0.0633,"moe2D_GCUT_PEOE_3":1.893,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2078,"moe2D_GCUT_SLOGP_2":0.2993,"moe2D_GCUT_SLOGP_3":2.103,"moe2D_GCUT_SMR_0":-0.4063,"moe2D_GCUT_SMR_1":-0.1653,"moe2D_GCUT_SMR_2":0.3514,"moe2D_GCUT_SMR_3":2.239,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":5.706,"moe2D_KierA2":2.321,"moe2D_KierA3":1.641,"moe2D_KierFlex":1.655,"moe2D_PEOE_PC.":0.5313,"moe2D_PEOE_PC..1":-0.5313,"moe2D_PEOE_RPC.":0.2333,"moe2D_PEOE_RPC..1":0.5689,"moe2D_PEOE_VSA.0":8.952,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":43.62,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9533,"moe2D_PEOE_VSA_FNEG":0.6966,"moe2D_PEOE_VSA_FPNEG":0.04666,"moe2D_PEOE_VSA_FPOL":0.04666,"moe2D_PEOE_VSA_FPOS":0.3034,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":135.9,"moe2D_PEOE_VSA_NEG":99.3,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":43.25,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.611,"moe2D_Q_PC..1":-1.611,"moe2D_Q_RPC.":0.2483,"moe2D_Q_RPC..1":0.5587,"moe2D_Q_VSA_FHYD":0.8324,"moe2D_Q_VSA_FNEG":0.6966,"moe2D_Q_VSA_FPNEG":0.04666,"moe2D_Q_VSA_FPOL":0.1676,"moe2D_Q_VSA_FPOS":0.3034,"moe2D_Q_VSA_FPPOS":0.1209,"moe2D_Q_VSA_HYD":118.7,"moe2D_Q_VSA_NEG":99.3,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":43.25,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":3.855,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":3.055,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":103.5,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":45.95,"moe2D_SlogP":2.031,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":3.055,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":48.71,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.991,"moe2D_VDistMa":5.649,"moe2D_Weight":172,"moe2D_a_IC":22.28,"moe2D_a_ICM":1.592,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":1,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":18.71,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.265,"moe2D_bpol":7.189,"moe2D_chi0":5.983,"moe2D_chi0_C":3.983,"moe2D_chi0v":5.851,"moe2D_chi0v_C":3.309,"moe2D_chi1":3.788,"moe2D_chi1_C":2.633,"moe2D_chi1v":3.092,"moe2D_chi1v_C":1.821,"moeGao_chi2_C":1.732,"moeGao_chi2v_C":1,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.4236,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.305,"moeGao_chi3p_C":1.15,"moeGao_chi3pv":1.399,"moeGao_chi3pv_C":0.5516,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.427,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.7271,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.4891,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9971,"moe2D_diameter":5,"moe2D_kS_aaCH":7.527,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.062,"moe2D_kS_aasC":0.7993,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":3.29,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.406,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.032,"moe2D_logS":-2.196,"moe2D_mr":3.758,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":142.5,"moe2D_vdw_vol":172.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":115.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":62,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"4-butylaniline(benzenamine4-butyl-)","moeGao_Abra_L":6.021,"moeGao_Abra_R":0.939,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.397,"moeGao_Abra_pi":0.987,"moe2D_BCUT_PEOE_0":-2.589,"moe2D_BCUT_PEOE_1":-0.4244,"moe2D_BCUT_PEOE_2":0.5084,"moe2D_BCUT_PEOE_3":2.526,"moe2D_BCUT_SLOGP_0":-2.454,"moe2D_BCUT_SLOGP_1":-0.3177,"moe2D_BCUT_SLOGP_2":0.623,"moe2D_BCUT_SLOGP_3":2.67,"moe2D_BCUT_SMR_0":-2.336,"moe2D_BCUT_SMR_1":-0.3012,"moe2D_BCUT_SMR_2":0.6401,"moe2D_BCUT_SMR_3":2.785,"moe2D_GCUT_PEOE_0":-0.8136,"moe2D_GCUT_PEOE_1":-0.3201,"moe2D_GCUT_PEOE_2":0.0421,"moe2D_GCUT_PEOE_3":2.296,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2031,"moe2D_GCUT_SLOGP_2":0.1277,"moe2D_GCUT_SLOGP_3":2.439,"moe2D_GCUT_SMR_0":-0.529,"moe2D_GCUT_SMR_1":-0.1653,"moe2D_GCUT_SMR_2":0.1292,"moe2D_GCUT_SMR_3":2.566,"moe2D_Kier1":9.091,"moe2D_Kier2":4.793,"moe2D_Kier3":3.265,"moe2D_KierA1":6.803,"moe2D_KierA2":3.47,"moe2D_KierA3":2.295,"moe2D_KierFlex":2.146,"moe2D_PEOE_PC.":0.7493,"moe2D_PEOE_PC..1":-0.7493,"moe2D_PEOE_RPC.":0.1654,"moe2D_PEOE_RPC..1":0.4034,"moe2D_PEOE_VSA.0":45.09,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":44.12,"moe2D_PEOE_VSA.1.1":51.96,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9635,"moe2D_PEOE_VSA_FNEG":0.5641,"moe2D_PEOE_VSA_FPNEG":0.03652,"moe2D_PEOE_VSA_FPOL":0.03652,"moe2D_PEOE_VSA_FPOS":0.4359,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":175.5,"moe2D_PEOE_VSA_NEG":102.7,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":79.39,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.643,"moe2D_Q_PC..1":-1.643,"moe2D_Q_RPC.":0.2434,"moe2D_Q_RPC..1":0.5476,"moe2D_Q_VSA_FHYD":0.8688,"moe2D_Q_VSA_FNEG":0.3178,"moe2D_Q_VSA_FPNEG":0.03652,"moe2D_Q_VSA_FPOL":0.1312,"moe2D_Q_VSA_FPOS":0.6822,"moe2D_Q_VSA_FPPOS":0.09465,"moe2D_Q_VSA_HYD":158.2,"moe2D_Q_VSA_NEG":57.88,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":124.2,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":4.947,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":160.1,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":2.611,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":18.87,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":36.08,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.702,"moe2D_VDistMa":6.55,"moe2D_Weight":149.2,"moe2D_a_IC":30.39,"moe2D_a_ICM":1.169,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":26,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":15,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":28.7,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.2727,"moe2D_b_ar":6,"moe2D_b_count":26,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":3,"moe2D_b_rotR":0.2727,"moe2D_b_single":20,"moe2D_b_triple":0,"moe2D_balabanJ":2.099,"moe2D_bpol":15.74,"moe2D_chi0":8.104,"moe2D_chi0_C":7.104,"moe2D_chi0v":7.008,"moe2D_chi0v_C":6.431,"moe2D_chi1":5.326,"moe2D_chi1_C":4.748,"moe2D_chi1v":4.171,"moe2D_chi1v_C":3.882,"moeGao_chi2_C":3.452,"moeGao_chi2v_C":2.512,"moeGao_chi3c":0.4928,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.2141,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":3.101,"moeGao_chi3p_C":2.524,"moeGao_chi3pv":1.799,"moeGao_chi3pv_C":1.606,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.111,"moeGao_chi4ca_C":1.777,"moeGao_chi4cav":1.065,"moeGao_chi4cav_C":0.969,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8413,"moeGao_chi4pc_C":0.433,"moeGao_chi4pcv":0.3305,"moeGao_chi4pcv_C":0.2194,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6186,"moe2D_diameter":8,"moe2D_kS_aaCH":8.131,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.242,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.206,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.555,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":3.699,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.891,"moe2D_logS":-3.125,"moe2D_mr":4.867,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":182.1,"moe2D_vdw_vol":241.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":149,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":174,"moe2D_weinerPol":11,"moe2D_zagreb":48}
{"Molecule":"4-chlorobenzaldehyde","moeGao_Abra_L":4.887,"moeGao_Abra_R":0.93,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.46,"moeGao_Abra_pi":1.181,"moe2D_BCUT_PEOE_0":-2.145,"moe2D_BCUT_PEOE_1":-0.6131,"moe2D_BCUT_PEOE_2":0.6507,"moe2D_BCUT_PEOE_3":2.146,"moe2D_BCUT_SLOGP_0":-2.035,"moe2D_BCUT_SLOGP_1":-0.4378,"moe2D_BCUT_SLOGP_2":0.8331,"moe2D_BCUT_SLOGP_3":2.304,"moe2D_BCUT_SMR_0":-1.821,"moe2D_BCUT_SMR_1":-0.4129,"moe2D_BCUT_SMR_2":0.8624,"moe2D_BCUT_SMR_3":2.476,"moe2D_GCUT_PEOE_0":-0.7254,"moe2D_GCUT_PEOE_1":-0.3823,"moe2D_GCUT_PEOE_2":0.06046,"moe2D_GCUT_PEOE_3":1.915,"moe2D_GCUT_SLOGP_0":-0.7729,"moe2D_GCUT_SLOGP_1":-0.2066,"moe2D_GCUT_SLOGP_2":0.2705,"moe2D_GCUT_SLOGP_3":2.074,"moe2D_GCUT_SMR_0":-0.3912,"moe2D_GCUT_SMR_1":-0.1757,"moe2D_GCUT_SMR_2":0.303,"moe2D_GCUT_SMR_3":2.232,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":2,"moe2D_KierA1":5.626,"moe2D_KierA2":2.478,"moe2D_KierA3":1.48,"moe2D_KierFlex":1.549,"moe2D_PEOE_PC.":0.565,"moe2D_PEOE_PC..1":-0.565,"moe2D_PEOE_RPC.":0.2658,"moe2D_PEOE_RPC..1":0.5233,"moe2D_PEOE_VSA.0":6.728,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":54.09,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9022,"moe2D_PEOE_VSA_FNEG":0.6644,"moe2D_PEOE_VSA_FPNEG":0.09779,"moe2D_PEOE_VSA_FPOL":0.09779,"moe2D_PEOE_VSA_FPOS":0.3356,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":125.2,"moe2D_PEOE_VSA_NEG":92.17,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":46.56,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.347,"moe2D_Q_PC..1":-1.347,"moe2D_Q_RPC.":0.3146,"moe2D_Q_RPC..1":0.4232,"moe2D_Q_VSA_FHYD":0.7688,"moe2D_Q_VSA_FNEG":0.6644,"moe2D_Q_VSA_FPNEG":0.09779,"moe2D_Q_VSA_FPOL":0.2312,"moe2D_Q_VSA_FPOS":0.3356,"moe2D_Q_VSA_FPPOS":0.1334,"moe2D_Q_VSA_HYD":106.7,"moe2D_Q_VSA_NEG":92.17,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":46.56,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":3.684,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.686,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":59.29,"moe2D_SlogP":2.152,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":39.15,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.25,"moe2D_VDistMa":5.986,"moe2D_Weight":140.6,"moe2D_a_IC":22.04,"moe2D_a_ICM":1.574,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":18.64,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":1,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.24,"moe2D_bpol":6.844,"moe2D_chi0":6.69,"moe2D_chi0_C":4.69,"moe2D_chi0v":5.429,"moe2D_chi0v_C":3.887,"moe2D_chi1":4.326,"moe2D_chi1_C":3.041,"moe2D_chi1v":2.913,"moe2D_chi1v_C":2.11,"moeGao_chi2_C":2.309,"moeGao_chi2v_C":1.333,"moeGao_chi3c":0.4928,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.2852,"moeGao_chi3cv_C":0.09623,"moeGao_chi3p":2.713,"moeGao_chi3p_C":1.558,"moeGao_chi3pv":1.258,"moeGao_chi3pv_C":0.744,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":0.9958,"moeGao_chi4cav":0.6673,"moeGao_chi4cav_C":0.3998,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.901,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.3686,"moeGao_chi4pcv_C":0.1111,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8248,"moe2D_diameter":6,"moe2D_kS_aaCH":6.723,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.6533,"moe2D_kS_aasC":0.6522,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.07,"moe2D_kS_dsCH":0.788,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.553,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.425,"moe2D_logS":-2.125,"moe2D_mr":3.809,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":138.7,"moe2D_vdw_vol":170.4,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":99.54,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":90,"moe2D_weinerPol":9,"moe2D_zagreb":40}
{"Molecule":"4-decylaniline","moeGao_Abra_L":9.015,"moeGao_Abra_R":0.939,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.397,"moeGao_Abra_pi":0.987,"moe2D_BCUT_PEOE_0":-2.718,"moe2D_BCUT_PEOE_1":-0.4244,"moe2D_BCUT_PEOE_2":0.5084,"moe2D_BCUT_PEOE_3":2.648,"moe2D_BCUT_SLOGP_0":-2.551,"moe2D_BCUT_SLOGP_1":-0.3177,"moe2D_BCUT_SLOGP_2":0.623,"moe2D_BCUT_SLOGP_3":2.818,"moe2D_BCUT_SMR_0":-2.464,"moe2D_BCUT_SMR_1":-0.3012,"moe2D_BCUT_SMR_2":0.6401,"moe2D_BCUT_SMR_3":2.904,"moe2D_GCUT_PEOE_0":-0.8136,"moe2D_GCUT_PEOE_1":-0.3201,"moe2D_GCUT_PEOE_2":0.0421,"moe2D_GCUT_PEOE_3":2.584,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.203,"moe2D_GCUT_SLOGP_2":0.1277,"moe2D_GCUT_SLOGP_3":2.733,"moe2D_GCUT_SMR_0":-0.5337,"moe2D_GCUT_SMR_1":-0.1653,"moe2D_GCUT_SMR_2":0.1292,"moe2D_GCUT_SMR_3":2.821,"moe2D_Kier1":15.06,"moe2D_Kier2":9.972,"moe2D_Kier3":7.84,"moe2D_KierA1":12.58,"moe2D_KierA2":8.23,"moe2D_KierA3":6.408,"moe2D_KierFlex":6.09,"moe2D_PEOE_PC.":1.068,"moe2D_PEOE_PC..1":-1.068,"moe2D_PEOE_RPC.":0.1161,"moe2D_PEOE_RPC..1":0.2831,"moe2D_PEOE_VSA.0":96.27,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":44.12,"moe2D_PEOE_VSA.1.1":104.2,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9767,"moe2D_PEOE_VSA_FNEG":0.5427,"moe2D_PEOE_VSA_FPNEG":0.0233,"moe2D_PEOE_VSA_FPOL":0.0233,"moe2D_PEOE_VSA_FPOS":0.4573,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":278.9,"moe2D_PEOE_VSA_NEG":154.9,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":130.6,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.643,"moe2D_Q_PC..1":-1.643,"moe2D_Q_RPC.":0.2434,"moe2D_Q_RPC..1":0.5476,"moe2D_Q_VSA_FHYD":0.9163,"moe2D_Q_VSA_FNEG":0.2027,"moe2D_Q_VSA_FPNEG":0.0233,"moe2D_Q_VSA_FPOL":0.08367,"moe2D_Q_VSA_FPOS":0.7973,"moe2D_Q_VSA_FPPOS":0.06038,"moe2D_Q_VSA_HYD":261.6,"moe2D_Q_VSA_NEG":57.88,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":227.6,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":7.717,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":273.3,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":4.952,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":18.87,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":150.9,"moe2D_SlogP_VSA9":36.08,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.5226,"moe2D_VAdjMa":5.087,"moe2D_VDistEq":3.56,"moe2D_VDistMa":7.787,"moe2D_Weight":233.4,"moe2D_a_IC":47.83,"moe2D_a_ICM":1.087,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":44,"moe2D_a_don":1,"moe2D_a_heavy":17,"moe2D_a_hyd":16,"moe2D_a_nBr":0,"moe2D_a_nC":16,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":27,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":47.26,"moe2D_b_1rotN":9,"moe2D_b_1rotR":0.5294,"moe2D_b_ar":6,"moe2D_b_count":44,"moe2D_b_double":0,"moe2D_b_heavy":17,"moe2D_b_rotN":9,"moe2D_b_rotR":0.5294,"moe2D_b_single":38,"moe2D_b_triple":0,"moe2D_balabanJ":1.812,"moe2D_bpol":28.86,"moe2D_chi0":12.35,"moe2D_chi0_C":11.35,"moe2D_chi0v":11.25,"moe2D_chi0v_C":10.67,"moe2D_chi1":8.326,"moe2D_chi1_C":7.748,"moe2D_chi1v":7.171,"moe2D_chi1v_C":6.882,"moeGao_chi2_C":5.573,"moeGao_chi2v_C":4.633,"moeGao_chi3c":0.4928,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.2141,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":4.601,"moeGao_chi3p_C":4.024,"moeGao_chi3pv":3.299,"moeGao_chi3pv_C":3.106,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.185,"moeGao_chi4ca_C":2.851,"moeGao_chi4cav":2.147,"moeGao_chi4cav_C":2.051,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8413,"moeGao_chi4pc_C":0.433,"moeGao_chi4pcv":0.3305,"moeGao_chi4pcv_C":0.2194,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6018,"moe2D_diameter":14,"moe2D_kS_aaCH":8.299,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.287,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.27,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.661,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":12.32,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":5.543,"moe2D_logS":-6.217,"moe2D_mr":7.636,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":9,"moe2D_opr_violation":1,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":7,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":285.5,"moe2D_vdw_vol":387.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":243.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":722,"moe2D_weinerPol":17,"moe2D_zagreb":72}
{"Molecule":"4-ethoxybenzaldehyde","moeGao_Abra_L":5.038,"moeGao_Abra_R":0.803,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.467,"moeGao_Abra_pi":1.024,"moe2D_BCUT_PEOE_0":-2.39,"moe2D_BCUT_PEOE_1":-0.5551,"moe2D_BCUT_PEOE_2":0.5255,"moe2D_BCUT_PEOE_3":2.35,"moe2D_BCUT_SLOGP_0":-2.397,"moe2D_BCUT_SLOGP_1":-0.4863,"moe2D_BCUT_SLOGP_2":0.6415,"moe2D_BCUT_SLOGP_3":2.407,"moe2D_BCUT_SMR_0":-2.148,"moe2D_BCUT_SMR_1":-0.3679,"moe2D_BCUT_SMR_2":0.709,"moe2D_BCUT_SMR_3":2.595,"moe2D_GCUT_PEOE_0":-0.792,"moe2D_GCUT_PEOE_1":-0.3906,"moe2D_GCUT_PEOE_2":-0.01231,"moe2D_GCUT_PEOE_3":2.096,"moe2D_GCUT_SLOGP_0":-0.8874,"moe2D_GCUT_SLOGP_1":-0.2956,"moe2D_GCUT_SLOGP_2":0.1256,"moe2D_GCUT_SLOGP_3":2.227,"moe2D_GCUT_SMR_0":-0.5135,"moe2D_GCUT_SMR_1":-0.197,"moe2D_GCUT_SMR_2":0.1354,"moe2D_GCUT_SMR_3":2.378,"moe2D_Kier1":9.091,"moe2D_Kier2":4.793,"moe2D_Kier3":2.844,"moe2D_KierA1":6.523,"moe2D_KierA2":3.311,"moe2D_KierA3":1.898,"moe2D_KierFlex":1.963,"moe2D_PEOE_PC.":0.842,"moe2D_PEOE_PC..1":-0.842,"moe2D_PEOE_RPC.":0.1784,"moe2D_PEOE_RPC..1":0.4097,"moe2D_PEOE_VSA.0":15,"moe2D_PEOE_VSA.1":49,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":67.77,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.9058,"moe2D_PEOE_VSA_FNEG":0.4914,"moe2D_PEOE_VSA_FPNEG":0.09419,"moe2D_PEOE_VSA_FPOL":0.09419,"moe2D_PEOE_VSA_FPOS":0.5086,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":154.5,"moe2D_PEOE_VSA_NEG":83.84,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":16.07,"moe2D_PEOE_VSA_POS":86.78,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.533,"moe2D_Q_PC..1":-1.533,"moe2D_Q_RPC.":0.2765,"moe2D_Q_RPC..1":0.3719,"moe2D_Q_VSA_FHYD":0.7097,"moe2D_Q_VSA_FNEG":0.3815,"moe2D_Q_VSA_FPNEG":0.09419,"moe2D_Q_VSA_FPOL":0.2903,"moe2D_Q_VSA_FPOS":0.6185,"moe2D_Q_VSA_FPPOS":0.1961,"moe2D_Q_VSA_HYD":121.1,"moe2D_Q_VSA_NEG":65.09,"moe2D_Q_VSA_PNEG":16.07,"moe2D_Q_VSA_POL":49.53,"moe2D_Q_VSA_POS":105.5,"moe2D_Q_VSA_PPOS":33.46,"moe2D_SMR":4.3,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":11,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":8.429,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":53.47,"moe2D_SlogP":1.898,"moe2D_SlogP_VSA0":11,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":38.57,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.662,"moe2D_VDistMa":6.557,"moe2D_Weight":150.2,"moe2D_a_IC":28.49,"moe2D_a_ICM":1.357,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":21,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":24.11,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.2727,"moe2D_b_ar":6,"moe2D_b_count":21,"moe2D_b_double":1,"moe2D_b_heavy":11,"moe2D_b_rotN":3,"moe2D_b_rotR":0.2727,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.17,"moe2D_bpol":13.81,"moe2D_chi0":8.104,"moe2D_chi0_C":6.397,"moe2D_chi0v":6.41,"moe2D_chi0v_C":5.594,"moe2D_chi1":5.364,"moe2D_chi1_C":3.748,"moe2D_chi1v":3.546,"moe2D_chi1v_C":2.817,"moeGao_chi2_C":2.309,"moeGao_chi2v_C":1.333,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.1643,"moeGao_chi3cv_C":0.09623,"moeGao_chi3p":3.241,"moeGao_chi3p_C":1.558,"moeGao_chi3pv":1.327,"moeGao_chi3pv_C":0.744,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.337,"moeGao_chi4ca_C":0.9958,"moeGao_chi4cav":0.8093,"moeGao_chi4cav_C":0.3998,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.9258,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.2771,"moeGao_chi4pcv_C":0.1111,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7018,"moe2D_diameter":8,"moe2D_kS_aaCH":7.038,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.478,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.23,"moe2D_kS_dsCH":0.8152,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.924,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.6532,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":5.189,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.13,"moe2D_logS":-1.769,"moe2D_mr":4.432,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":170.6,"moe2D_vdw_vol":214,"moe2D_vsa_acc":16.07,"moe2D_vsa_don":0,"moe2D_vsa_hyd":125.4,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":16.07,"moe2D_weinerPath":170,"moe2D_weinerPol":12,"moe2D_zagreb":48}
{"Molecule":"4-ethylaniline","moeGao_Abra_L":5.023,"moeGao_Abra_R":0.939,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.397,"moeGao_Abra_pi":0.987,"moe2D_BCUT_PEOE_0":-2.424,"moe2D_BCUT_PEOE_1":-0.4245,"moe2D_BCUT_PEOE_2":0.5084,"moe2D_BCUT_PEOE_3":2.367,"moe2D_BCUT_SLOGP_0":-2.353,"moe2D_BCUT_SLOGP_1":-0.3177,"moe2D_BCUT_SLOGP_2":0.623,"moe2D_BCUT_SLOGP_3":2.486,"moe2D_BCUT_SMR_0":-2.159,"moe2D_BCUT_SMR_1":-0.3012,"moe2D_BCUT_SMR_2":0.6401,"moe2D_BCUT_SMR_3":2.646,"moe2D_GCUT_PEOE_0":-0.8133,"moe2D_GCUT_PEOE_1":-0.3202,"moe2D_GCUT_PEOE_2":0.0421,"moe2D_GCUT_PEOE_3":2.127,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2031,"moe2D_GCUT_SLOGP_2":0.1277,"moe2D_GCUT_SLOGP_3":2.274,"moe2D_GCUT_SMR_0":-0.5128,"moe2D_GCUT_SMR_1":-0.1653,"moe2D_GCUT_SMR_2":0.1292,"moe2D_GCUT_SMR_3":2.42,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":2,"moe2D_KierA1":4.94,"moe2D_KierA2":2.133,"moe2D_KierA3":1.249,"moe2D_KierFlex":1.17,"moe2D_PEOE_PC.":0.6435,"moe2D_PEOE_PC..1":-0.6435,"moe2D_PEOE_RPC.":0.1926,"moe2D_PEOE_RPC..1":0.4697,"moe2D_PEOE_VSA.0":28.03,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":35.42,"moe2D_PEOE_VSA.1.1":43.26,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.955,"moe2D_PEOE_VSA_FNEG":0.5779,"moe2D_PEOE_VSA_FPNEG":0.04505,"moe2D_PEOE_VSA_FPOL":0.04505,"moe2D_PEOE_VSA_FPOS":0.4221,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":141,"moe2D_PEOE_VSA_NEG":85.33,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":62.33,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.643,"moe2D_Q_PC..1":-1.643,"moe2D_Q_RPC.":0.2434,"moe2D_Q_RPC..1":0.5476,"moe2D_Q_VSA_FHYD":0.8382,"moe2D_Q_VSA_FNEG":0.392,"moe2D_Q_VSA_FPNEG":0.04505,"moe2D_Q_VSA_FPOL":0.1618,"moe2D_Q_VSA_FPOS":0.608,"moe2D_Q_VSA_FPPOS":0.1167,"moe2D_Q_VSA_HYD":123.8,"moe2D_Q_VSA_NEG":57.88,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":89.78,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":4.023,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":122.3,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.831,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":18.87,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":36.08,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.25,"moe2D_VDistMa":5.986,"moe2D_Weight":121.2,"moe2D_a_IC":24.38,"moe2D_a_ICM":1.219,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":20,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":22.51,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":20,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.233,"moe2D_bpol":11.37,"moe2D_chi0":6.69,"moe2D_chi0_C":5.69,"moe2D_chi0v":5.594,"moe2D_chi0v_C":5.017,"moe2D_chi1":4.326,"moe2D_chi1_C":3.748,"moe2D_chi1v":3.171,"moe2D_chi1v_C":2.882,"moeGao_chi2_C":2.718,"moeGao_chi2v_C":1.762,"moeGao_chi3c":0.4928,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.2141,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":2.713,"moeGao_chi3p_C":2.135,"moeGao_chi3pv":1.388,"moeGao_chi3pv_C":1.196,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":1.404,"moeGao_chi4cav":0.7533,"moeGao_chi4cav_C":0.6571,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.901,"moeGao_chi4pc_C":0.4928,"moeGao_chi4pcv":0.365,"moeGao_chi4pcv_C":0.2539,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6299,"moe2D_diameter":6,"moe2D_kS_aaCH":7.961,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.177,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.13,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.481,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.084,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.007,"moe2D_logS":-2.095,"moe2D_mr":3.94,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":147.7,"moe2D_vdw_vol":192.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":117.4,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":90,"moe2D_weinerPol":9,"moe2D_zagreb":40}
{"Molecule":"4-hexyloxyaniline","moeGao_Abra_L":7.019,"moeGao_Abra_R":0.939,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.374,"moeGao_Abra_pi":0.987,"moe2D_BCUT_PEOE_0":-2.653,"moe2D_BCUT_PEOE_1":-0.5506,"moe2D_BCUT_PEOE_2":0.5261,"moe2D_BCUT_PEOE_3":2.597,"moe2D_BCUT_SLOGP_0":-2.541,"moe2D_BCUT_SLOGP_1":-0.4804,"moe2D_BCUT_SLOGP_2":0.6452,"moe2D_BCUT_SLOGP_3":2.741,"moe2D_BCUT_SMR_0":-2.407,"moe2D_BCUT_SMR_1":-0.3671,"moe2D_BCUT_SMR_2":0.7087,"moe2D_BCUT_SMR_3":2.843,"moe2D_GCUT_PEOE_0":-0.8134,"moe2D_GCUT_PEOE_1":-0.3827,"moe2D_GCUT_PEOE_2":0.00399,"moe2D_GCUT_PEOE_3":2.368,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2767,"moe2D_GCUT_SLOGP_2":0.1287,"moe2D_GCUT_SLOGP_3":2.504,"moe2D_GCUT_SMR_0":-0.5313,"moe2D_GCUT_SMR_1":-0.196,"moe2D_GCUT_SMR_2":0.1356,"moe2D_GCUT_SMR_3":2.611,"moe2D_Kier1":12.07,"moe2D_Kier2":7.312,"moe2D_Kier3":5.481,"moe2D_KierA1":9.668,"moe2D_KierA2":5.747,"moe2D_KierA3":4.246,"moe2D_KierFlex":3.969,"moe2D_PEOE_PC.":1.045,"moe2D_PEOE_PC..1":-1.045,"moe2D_PEOE_RPC.":0.1186,"moe2D_PEOE_RPC..1":0.3298,"moe2D_PEOE_VSA.0":53.62,"moe2D_PEOE_VSA.1":49,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":57.72,"moe2D_PEOE_VSA.1.1":44.85,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":9.155,"moe2D_PEOE_VSA_FHYD":0.9605,"moe2D_PEOE_VSA_FNEG":0.4824,"moe2D_PEOE_VSA_FPNEG":0.03953,"moe2D_PEOE_VSA_FPOL":0.03953,"moe2D_PEOE_VSA_FPOS":0.5176,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":222.4,"moe2D_PEOE_VSA_NEG":111.7,"moe2D_PEOE_VSA_PNEG":9.155,"moe2D_PEOE_VSA_POL":9.155,"moe2D_PEOE_VSA_POS":119.9,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.863,"moe2D_Q_PC..1":-1.863,"moe2D_Q_RPC.":0.2148,"moe2D_Q_RPC..1":0.4832,"moe2D_Q_VSA_FHYD":0.8215,"moe2D_Q_VSA_FNEG":0.2512,"moe2D_Q_VSA_FPNEG":0.03953,"moe2D_Q_VSA_FPOL":0.1785,"moe2D_Q_VSA_FPOS":0.7488,"moe2D_Q_VSA_FPPOS":0.139,"moe2D_Q_VSA_HYD":190.2,"moe2D_Q_VSA_NEG":58.17,"moe2D_Q_VSA_PNEG":9.155,"moe2D_Q_VSA_POL":41.34,"moe2D_Q_VSA_POS":173.4,"moe2D_Q_VSA_PPOS":32.19,"moe2D_SMR":6.049,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":11,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.243,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":178.9,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":3.228,"moe2D_SlogP_VSA0":43.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":41.33,"moe2D_TPSA":35.25,"moe2D_VAdjEq":0.5917,"moe2D_VAdjMa":4.807,"moe2D_VDistEq":3.194,"moe2D_VDistMa":7.232,"moe2D_Weight":193.3,"moe2D_a_IC":42.73,"moe2D_a_ICM":1.295,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":33,"moe2D_a_don":1,"moe2D_a_heavy":14,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":19,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":35.69,"moe2D_b_1rotN":6,"moe2D_b_1rotR":0.4286,"moe2D_b_ar":6,"moe2D_b_count":33,"moe2D_b_double":0,"moe2D_b_heavy":14,"moe2D_b_rotN":6,"moe2D_b_rotR":0.4286,"moe2D_b_single":27,"moe2D_b_triple":0,"moe2D_balabanJ":1.922,"moe2D_bpol":22.03,"moe2D_chi0":10.23,"moe2D_chi0_C":8.519,"moe2D_chi0v":8.831,"moe2D_chi0v_C":7.845,"moe2D_chi1":6.826,"moe2D_chi1_C":5.34,"moe2D_chi1v":5.31,"moe2D_chi1v_C":4.528,"moeGao_chi2_C":3.293,"moeGao_chi2v_C":2.561,"moeGao_chi3c":0.4928,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1643,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.851,"moeGao_chi3p_C":2.003,"moeGao_chi3pv":2.147,"moeGao_chi3pv_C":1.405,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.654,"moeGao_chi4ca_C":1.187,"moeGao_chi4cav":1.283,"moeGao_chi4cav_C":0.7303,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8413,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2378,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6426,"moe2D_diameter":11,"moe2D_kS_aaCH":7.549,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.694,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.209,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.565,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":5.764,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":5.552,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.471,"moe2D_logS":-3.231,"moe2D_mr":6.015,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":6,"moe2D_opr_violation":0,"moe2D_petitjean":0.4545,"moe2D_petitjeanSC":0.8333,"moe2D_radius":6,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":231.6,"moe2D_vdw_vol":300.8,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":193.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":20.25,"moe2D_weinerPath":385,"moe2D_weinerPol":14,"moe2D_zagreb":60}
{"Molecule":"4-isopropylbenzaldehyde(cuminaldehyde)","moeGao_Abra_L":5.359,"moeGao_Abra_R":0.788,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.485,"moeGao_Abra_pi":0.985,"moe2D_BCUT_PEOE_0":-2.537,"moe2D_BCUT_PEOE_1":-0.4952,"moe2D_BCUT_PEOE_2":0.487,"moe2D_BCUT_PEOE_3":2.482,"moe2D_BCUT_SLOGP_0":-2.378,"moe2D_BCUT_SLOGP_1":-0.3201,"moe2D_BCUT_SLOGP_2":0.5796,"moe2D_BCUT_SLOGP_3":2.641,"moe2D_BCUT_SMR_0":-2.276,"moe2D_BCUT_SMR_1":-0.3173,"moe2D_BCUT_SMR_2":0.6313,"moe2D_BCUT_SMR_3":2.752,"moe2D_GCUT_PEOE_0":-0.7851,"moe2D_GCUT_PEOE_1":-0.3493,"moe2D_GCUT_PEOE_2":0.00894,"moe2D_GCUT_PEOE_3":2.259,"moe2D_GCUT_SLOGP_0":-0.773,"moe2D_GCUT_SLOGP_1":-0.204,"moe2D_GCUT_SLOGP_2":0.0973,"moe2D_GCUT_SLOGP_3":2.402,"moe2D_GCUT_SMR_0":-0.518,"moe2D_GCUT_SMR_1":-0.1757,"moe2D_GCUT_SMR_2":0.1217,"moe2D_GCUT_SMR_3":2.537,"moe2D_Kier1":9.091,"moe2D_Kier2":4.133,"moe2D_Kier3":2.5,"moe2D_KierA1":6.523,"moe2D_KierA2":2.855,"moe2D_KierA3":1.669,"moe2D_KierFlex":1.693,"moe2D_PEOE_PC.":0.6972,"moe2D_PEOE_PC..1":-0.6972,"moe2D_PEOE_RPC.":0.2154,"moe2D_PEOE_RPC..1":0.4241,"moe2D_PEOE_VSA.0":32.07,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":2.209,"moe2D_PEOE_VSA.1.1":86.51,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9221,"moe2D_PEOE_VSA_FNEG":0.5872,"moe2D_PEOE_VSA_FPNEG":0.07789,"moe2D_PEOE_VSA_FPOL":0.07789,"moe2D_PEOE_VSA_FPOS":0.4128,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":160.6,"moe2D_PEOE_VSA_NEG":102.3,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":71.9,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.313,"moe2D_Q_PC..1":-1.313,"moe2D_Q_RPC.":0.3226,"moe2D_Q_RPC..1":0.434,"moe2D_Q_VSA_FHYD":0.8159,"moe2D_Q_VSA_FNEG":0.372,"moe2D_Q_VSA_FPNEG":0.07789,"moe2D_Q_VSA_FPOL":0.1841,"moe2D_Q_VSA_FPOS":0.628,"moe2D_Q_VSA_FPPOS":0.1062,"moe2D_Q_VSA_HYD":142.1,"moe2D_Q_VSA_NEG":64.8,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":109.4,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":4.592,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.78,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":86.8,"moe2D_SlogP":2.622,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":30.23,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":4.411,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.541,"moe2D_VDistMa":6.574,"moe2D_Weight":148.2,"moe2D_a_IC":27.8,"moe2D_a_ICM":1.209,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":23,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":26.4,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1818,"moe2D_b_ar":6,"moe2D_b_count":23,"moe2D_b_double":1,"moe2D_b_heavy":11,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1818,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":2.279,"moe2D_bpol":14.08,"moe2D_chi0":8.268,"moe2D_chi0_C":7.268,"moe2D_chi0v":6.872,"moe2D_chi0v_C":6.464,"moe2D_chi1":5.236,"moe2D_chi1_C":4.529,"moe2D_chi1v":3.789,"moe2D_chi1v_C":3.553,"moeGao_chi2_C":4.025,"moeGao_chi2v_C":2.821,"moeGao_chi3c":0.7041,"moeGao_chi3c_C":0.7041,"moeGao_chi3cv":0.4811,"moeGao_chi3cv_C":0.4811,"moeGao_chi3p":3.412,"moeGao_chi3p_C":2.834,"moeGao_chi3pv":1.739,"moeGao_chi3pv_C":1.603,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.263,"moeGao_chi4ca_C":1.855,"moeGao_chi4cav":0.9595,"moeGao_chi4cav_C":0.8809,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.533,"moeGao_chi4pc_C":1.329,"moeGao_chi4pcv":0.7873,"moeGao_chi4pcv_C":0.748,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6507,"moe2D_diameter":7,"moe2D_kS_aaCH":7.688,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.019,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.29,"moe2D_kS_dsCH":0.8652,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.27,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.5377,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.976,"moe2D_logS":-2.895,"moe2D_mr":4.683,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":174.2,"moe2D_vdw_vol":227.8,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":128.7,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":162,"moe2D_weinerPol":13,"moe2D_zagreb":50}
{"Molecule":"4-methoxyphenol(mequinol)","moeGao_Abra_L":4.247,"moeGao_Abra_R":0.837,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.406,"moeGao_Abra_pi":0.851,"moe2D_BCUT_PEOE_0":-2.25,"moe2D_BCUT_PEOE_1":-0.6078,"moe2D_BCUT_PEOE_2":0.6225,"moe2D_BCUT_PEOE_3":2.192,"moe2D_BCUT_SLOGP_0":-2.244,"moe2D_BCUT_SLOGP_1":-0.5263,"moe2D_BCUT_SLOGP_2":0.7255,"moe2D_BCUT_SLOGP_3":2.386,"moe2D_BCUT_SMR_0":-1.965,"moe2D_BCUT_SMR_1":-0.442,"moe2D_BCUT_SMR_2":0.7895,"moe2D_BCUT_SMR_3":2.488,"moe2D_GCUT_PEOE_0":-0.7892,"moe2D_GCUT_PEOE_1":-0.4179,"moe2D_GCUT_PEOE_2":0.0374,"moe2D_GCUT_PEOE_3":1.975,"moe2D_GCUT_SLOGP_0":-0.8867,"moe2D_GCUT_SLOGP_1":-0.3037,"moe2D_GCUT_SLOGP_2":0.1449,"moe2D_GCUT_SLOGP_3":2.169,"moe2D_GCUT_SMR_0":-0.4834,"moe2D_GCUT_SMR_1":-0.2084,"moe2D_GCUT_SMR_2":0.1671,"moe2D_GCUT_SMR_3":2.261,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":2,"moe2D_KierA1":5.29,"moe2D_KierA2":2.309,"moe2D_KierA3":1.366,"moe2D_KierFlex":1.357,"moe2D_PEOE_PC.":0.8253,"moe2D_PEOE_PC..1":-0.8253,"moe2D_PEOE_RPC.":0.2633,"moe2D_PEOE_RPC..1":0.436,"moe2D_PEOE_VSA.0":25,"moe2D_PEOE_VSA.1":46.77,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":10.27,"moe2D_PEOE_VSA_FHYD":0.8543,"moe2D_PEOE_VSA_FNEG":0.4194,"moe2D_PEOE_VSA_FPNEG":0.07265,"moe2D_PEOE_VSA_FPOL":0.1457,"moe2D_PEOE_VSA_FPOS":0.5806,"moe2D_PEOE_VSA_FPPOS":0.07302,"moe2D_PEOE_VSA_HYD":120.8,"moe2D_PEOE_VSA_NEG":59.29,"moe2D_PEOE_VSA_PNEG":10.27,"moe2D_PEOE_VSA_POL":20.6,"moe2D_PEOE_VSA_POS":82.1,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.495,"moe2D_Q_PC..1":-1.495,"moe2D_Q_RPC.":0.301,"moe2D_Q_RPC..1":0.3562,"moe2D_Q_VSA_FHYD":0.6775,"moe2D_Q_VSA_FNEG":0.4194,"moe2D_Q_VSA_FPNEG":0.07265,"moe2D_Q_VSA_FPOL":0.3225,"moe2D_Q_VSA_FPOS":0.5806,"moe2D_Q_VSA_FPPOS":0.2498,"moe2D_Q_VSA_HYD":95.79,"moe2D_Q_VSA_NEG":59.29,"moe2D_Q_VSA_PNEG":10.27,"moe2D_Q_VSA_POL":45.59,"moe2D_Q_VSA_POS":82.1,"moe2D_Q_VSA_PPOS":35.32,"moe2D_SMR":3.466,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":36.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.49,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":35.38,"moe2D_SlogP":1.401,"moe2D_SlogP_VSA0":36.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":35.38,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":10.49,"moe2D_TPSA":29.46,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.25,"moe2D_VDistMa":5.986,"moe2D_Weight":124.1,"moe2D_a_IC":23.84,"moe2D_a_ICM":1.402,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":17,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":19.26,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":17,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.233,"moe2D_bpol":10.66,"moe2D_chi0":6.69,"moe2D_chi0_C":4.983,"moe2D_chi0v":5.165,"moe2D_chi0v_C":4.309,"moe2D_chi1":4.326,"moe2D_chi1_C":2.633,"moe2D_chi1v":2.657,"moe2D_chi1v_C":1.821,"moeGao_chi2_C":1.732,"moeGao_chi2v_C":1,"moeGao_chi3c":0.4928,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1426,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.713,"moeGao_chi3p_C":1.15,"moeGao_chi3pv":1.072,"moeGao_chi3pv_C":0.5516,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.5822,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.901,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2327,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7197,"moe2D_diameter":6,"moe2D_kS_aaCH":6.572,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.017,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.59,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.797,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.858,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.554,"moe2D_logS":-1.073,"moe2D_mr":3.537,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":141.4,"moe2D_vdw_vol":172.5,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":115.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":16.07,"moe2D_weinerPath":90,"moe2D_weinerPol":9,"moe2D_zagreb":40}
{"Molecule":"4-methyl-2-pentanone-(methyl-isobutyl-ketone)","moeGao_Abra_L":3.21,"moeGao_Abra_R":0.164,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.437,"moeGao_Abra_pi":0.559,"moe2D_BCUT_PEOE_0":-2.606,"moe2D_BCUT_PEOE_1":0.02324,"moe2D_BCUT_PEOE_2":0.0344,"moe2D_BCUT_PEOE_3":2.581,"moe2D_BCUT_SLOGP_0":-2.523,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.672,"moe2D_BCUT_SMR_0":-2.365,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.827,"moe2D_GCUT_PEOE_0":-0.789,"moe2D_GCUT_PEOE_1":-0.1368,"moe2D_GCUT_PEOE_2":-0.1256,"moe2D_GCUT_PEOE_3":2.161,"moe2D_GCUT_SLOGP_0":-0.8113,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.239,"moe2D_GCUT_SMR_0":-0.5305,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.378,"moe2D_Kier1":7,"moe2D_Kier2":3.061,"moe2D_Kier3":6,"moe2D_KierA1":6.047,"moe2D_KierA2":2.57,"moe2D_KierA3":4.877,"moe2D_KierFlex":2.22,"moe2D_PEOE_PC.":0.4684,"moe2D_PEOE_PC..1":-0.4684,"moe2D_PEOE_RPC.":0.2788,"moe2D_PEOE_RPC..1":0.6356,"moe2D_PEOE_VSA.0":59.89,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":37.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9018,"moe2D_PEOE_VSA_FNEG":0.5053,"moe2D_PEOE_VSA_FPNEG":0.0982,"moe2D_PEOE_VSA_FPOL":0.0982,"moe2D_PEOE_VSA_FPOS":0.4947,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":124.6,"moe2D_PEOE_VSA_NEG":69.81,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":68.34,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8406,"moe2D_Q_VSA_FNEG":0.0982,"moe2D_Q_VSA_FPNEG":0.0982,"moe2D_Q_VSA_FPOL":0.1594,"moe2D_Q_VSA_FPOS":0.9018,"moe2D_Q_VSA_FPPOS":0.06123,"moe2D_Q_VSA_HYD":116.1,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":124.6,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":3.014,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":4.411,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":1.622,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":4.411,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.956,"moe2D_VDistMa":5.23,"moe2D_Weight":100.2,"moe2D_a_IC":22.18,"moe2D_a_ICM":1.167,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":19,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":19.36,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":18,"moe2D_b_double":1,"moe2D_b_heavy":6,"moe2D_b_rotN":2,"moe2D_b_rotR":0.3333,"moe2D_b_single":17,"moe2D_b_triple":0,"moe2D_balabanJ":2.995,"moe2D_bpol":14.08,"moe2D_chi0":5.862,"moe2D_chi0_C":4.862,"moe2D_chi0v":5.193,"moe2D_chi0v_C":4.784,"moe2D_chi1":3.126,"moe2D_chi1_C":2.549,"moe2D_chi1v":2.621,"moe2D_chi1v_C":2.417,"moeGao_chi2_C":2.038,"moeGao_chi2v_C":1.952,"moeGao_chi3c":0.8165,"moeGao_chi3c_C":0.4082,"moeGao_chi3cv":0.5526,"moeGao_chi3cv_C":0.4082,"moeGao_chi3p":0.9428,"moeGao_chi3p_C":0.7071,"moeGao_chi3pv":0.6957,"moeGao_chi3pv_C":0.6124,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.9428,"moeGao_chi4ca_C":0.4714,"moeGao_chi4cav":0.5749,"moeGao_chi4cav_C":0.4082,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4714,"moeGao_chi4pc_C":0.2357,"moeGao_chi4pcv":0.2875,"moeGao_chi4pcv_C":0.2041,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6196,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.25,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.287,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":5.711,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.7222,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.5255,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.372,"moe2D_logS":-1.169,"moe2D_mr":3.088,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":138.2,"moe2D_vdw_vol":161.6,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":106.2,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":48,"moe2D_weinerPol":4,"moe2D_zagreb":26}
{"Molecule":"4-methylaniline(4-toluidine)","moeGao_Abra_L":4.524,"moeGao_Abra_R":0.939,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.397,"moeGao_Abra_pi":0.987,"moe2D_BCUT_PEOE_0":-2.3,"moe2D_BCUT_PEOE_1":-0.4253,"moe2D_BCUT_PEOE_2":0.5083,"moe2D_BCUT_PEOE_3":2.229,"moe2D_BCUT_SLOGP_0":-2.33,"moe2D_BCUT_SLOGP_1":-0.3177,"moe2D_BCUT_SLOGP_2":0.623,"moe2D_BCUT_SLOGP_3":2.393,"moe2D_BCUT_SMR_0":-1.992,"moe2D_BCUT_SMR_1":-0.3012,"moe2D_BCUT_SMR_2":0.6402,"moe2D_BCUT_SMR_3":2.549,"moe2D_GCUT_PEOE_0":-0.8132,"moe2D_GCUT_PEOE_1":-0.3217,"moe2D_GCUT_PEOE_2":0.04209,"moe2D_GCUT_PEOE_3":2.018,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2036,"moe2D_GCUT_SLOGP_2":0.1277,"moe2D_GCUT_SLOGP_3":2.182,"moe2D_GCUT_SMR_0":-0.4788,"moe2D_GCUT_SMR_1":-0.1653,"moe2D_GCUT_SMR_2":0.1292,"moe2D_GCUT_SMR_3":2.325,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":4.032,"moe2D_KierA2":1.543,"moe2D_KierA3":1.033,"moe2D_KierFlex":0.7776,"moe2D_PEOE_PC.":0.5948,"moe2D_PEOE_PC..1":-0.5948,"moe2D_PEOE_RPC.":0.2083,"moe2D_PEOE_RPC..1":0.5082,"moe2D_PEOE_VSA.0":19.5,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":43.26,"moe2D_PEOE_VSA.1.1":26.72,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.949,"moe2D_PEOE_VSA_FNEG":0.5875,"moe2D_PEOE_VSA_FPNEG":0.051,"moe2D_PEOE_VSA_FPOL":0.051,"moe2D_PEOE_VSA_FPOS":0.4125,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":123.8,"moe2D_PEOE_VSA_NEG":76.63,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":53.8,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.643,"moe2D_Q_PC..1":-1.644,"moe2D_Q_RPC.":0.2434,"moe2D_Q_RPC..1":0.5476,"moe2D_Q_VSA_FHYD":0.8168,"moe2D_Q_VSA_FNEG":0.4438,"moe2D_Q_VSA_FPNEG":0.051,"moe2D_Q_VSA_FPOL":0.1832,"moe2D_Q_VSA_FPOS":0.5562,"moe2D_Q_VSA_FPPOS":0.1322,"moe2D_Q_VSA_HYD":106.5,"moe2D_Q_VSA_NEG":57.88,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":72.54,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":3.559,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":103.5,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.577,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":36.08,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.991,"moe2D_VDistMa":5.649,"moe2D_Weight":107.2,"moe2D_a_IC":21.31,"moe2D_a_ICM":1.253,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":17,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":9,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":19.42,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":17,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.265,"moe2D_bpol":9.179,"moe2D_chi0":5.983,"moe2D_chi0_C":4.983,"moe2D_chi0v":4.887,"moe2D_chi0v_C":4.309,"moe2D_chi1":3.788,"moe2D_chi1_C":3.21,"moe2D_chi1v":2.61,"moe2D_chi1v_C":2.321,"moeGao_chi2_C":2.549,"moeGao_chi2v_C":1.577,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0.2887,"moeGao_chi3cv":0.2629,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":2.305,"moeGao_chi3p_C":1.727,"moeGao_chi3pv":1.077,"moeGao_chi3pv_C":0.8849,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.427,"moeGao_chi4ca_C":1.093,"moeGao_chi4cav":0.5665,"moeGao_chi4cav_C":0.4702,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0.4082,"moeGao_chi4pcv":0.3036,"moeGao_chi4pcv_C":0.1925,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6379,"moe2D_diameter":5,"moe2D_kS_aaCH":7.787,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.079,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.041,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.427,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.532,"moe2D_logS":-1.58,"moe2D_mr":3.471,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":130.4,"moe2D_vdw_vol":168,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":101.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":62,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"4-methylpyridine","moeGao_Abra_L":3.525,"moeGao_Abra_R":0.642,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.443,"moeGao_Abra_pi":0.726,"moe2D_BCUT_PEOE_0":-2.254,"moe2D_BCUT_PEOE_1":-0.4371,"moe2D_BCUT_PEOE_2":0.4896,"moe2D_BCUT_PEOE_3":2.206,"moe2D_BCUT_SLOGP_0":-2.118,"moe2D_BCUT_SLOGP_1":-0.3796,"moe2D_BCUT_SLOGP_2":0.5799,"moe2D_BCUT_SLOGP_3":2.346,"moe2D_BCUT_SMR_0":-1.974,"moe2D_BCUT_SMR_1":-0.298,"moe2D_BCUT_SMR_2":0.6356,"moe2D_BCUT_SMR_3":2.497,"moe2D_GCUT_PEOE_0":-0.755,"moe2D_GCUT_PEOE_1":-0.3135,"moe2D_GCUT_PEOE_2":0.01979,"moe2D_GCUT_PEOE_3":1.898,"moe2D_GCUT_SLOGP_0":-0.7246,"moe2D_GCUT_SLOGP_1":-0.2363,"moe2D_GCUT_SLOGP_2":0.0973,"moe2D_GCUT_SLOGP_3":2.026,"moe2D_GCUT_SMR_0":-0.4787,"moe2D_GCUT_SMR_1":-0.1621,"moe2D_GCUT_SMR_2":0.1233,"moe2D_GCUT_SMR_3":2.182,"moe2D_Kier1":5.143,"moe2D_Kier2":2.344,"moe2D_Kier3":1.5,"moe2D_KierA1":3.384,"moe2D_KierA2":1.414,"moe2D_KierA3":0.8185,"moe2D_KierFlex":0.6837,"moe2D_PEOE_PC.":0.4318,"moe2D_PEOE_PC..1":-0.4318,"moe2D_PEOE_RPC.":0.1921,"moe2D_PEOE_RPC..1":0.6096,"moe2D_PEOE_VSA.0":46.29,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":45.47,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":5.683,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9504,"moe2D_PEOE_VSA_FNEG":0.4467,"moe2D_PEOE_VSA_FPNEG":0.04963,"moe2D_PEOE_VSA_FPOL":0.04963,"moe2D_PEOE_VSA_FPOS":0.5533,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":108.8,"moe2D_PEOE_VSA_NEG":51.15,"moe2D_PEOE_VSA_PNEG":5.683,"moe2D_PEOE_VSA_POL":5.683,"moe2D_PEOE_VSA_POS":63.35,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.064,"moe2D_Q_PC..1":-1.063,"moe2D_Q_RPC.":0.1504,"moe2D_Q_RPC..1":0.583,"moe2D_Q_VSA_FHYD":0.9504,"moe2D_Q_VSA_FNEG":0.283,"moe2D_Q_VSA_FPNEG":0.04963,"moe2D_Q_VSA_FPOL":0.04963,"moe2D_Q_VSA_FPOS":0.717,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":108.8,"moe2D_Q_VSA_NEG":32.4,"moe2D_Q_VSA_PNEG":5.683,"moe2D_Q_VSA_POL":5.683,"moe2D_Q_VSA_POS":82.1,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":2.897,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":69.72,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.39,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":69.72,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":12.89,"moe2D_VAdjEq":0.8631,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.761,"moe2D_VDistMa":5.255,"moe2D_Weight":93.13,"moe2D_a_IC":18.14,"moe2D_a_ICM":1.296,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":16.33,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.215,"moe2D_bpol":8.972,"moe2D_chi0":5.113,"moe2D_chi0_C":4.406,"moe2D_chi0v":4.257,"moe2D_chi0v_C":3.809,"moe2D_chi1":3.394,"moe2D_chi1_C":2.394,"moe2D_chi1v":2.26,"moe2D_chi1v_C":1.744,"moeGao_chi2_C":1.683,"moeGao_chi2v_C":1.077,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0.2887,"moeGao_chi3cv":0.1667,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":1.894,"moeGao_chi3p_C":0.9856,"moeGao_chi3pv":0.847,"moeGao_chi3pv_C":0.5258,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.307,"moeGao_chi4ca_C":0.1443,"moeGao_chi4cav":0.4264,"moeGao_chi4cav_C":0.05556,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0.4082,"moeGao_chi4pcv":0.1925,"moeGao_chi4pcv_C":0.1925,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6457,"moe2D_diameter":4,"moe2D_kS_aaCH":7.519,"moe2D_kS_aaN":3.846,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.259,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.043,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.143,"moe2D_logS":-0.6007,"moe2D_mr":3.047,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":114.5,"moe2D_vdw_vol":144.2,"moe2D_vsa_acc":5.683,"moe2D_vsa_don":0,"moe2D_vsa_hyd":103.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":42,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"4-octylaniline","moeGao_Abra_L":8.017,"moeGao_Abra_R":0.939,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.397,"moeGao_Abra_pi":0.987,"moe2D_BCUT_PEOE_0":-2.698,"moe2D_BCUT_PEOE_1":-0.4244,"moe2D_BCUT_PEOE_2":0.5084,"moe2D_BCUT_PEOE_3":2.629,"moe2D_BCUT_SLOGP_0":-2.535,"moe2D_BCUT_SLOGP_1":-0.3177,"moe2D_BCUT_SLOGP_2":0.623,"moe2D_BCUT_SLOGP_3":2.795,"moe2D_BCUT_SMR_0":-2.444,"moe2D_BCUT_SMR_1":-0.3012,"moe2D_BCUT_SMR_2":0.6401,"moe2D_BCUT_SMR_3":2.884,"moe2D_GCUT_PEOE_0":-0.8136,"moe2D_GCUT_PEOE_1":-0.3201,"moe2D_GCUT_PEOE_2":0.0421,"moe2D_GCUT_PEOE_3":2.512,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2031,"moe2D_GCUT_SLOGP_2":0.1277,"moe2D_GCUT_SLOGP_3":2.658,"moe2D_GCUT_SMR_0":-0.5318,"moe2D_GCUT_SMR_1":-0.1653,"moe2D_GCUT_SMR_2":0.1292,"moe2D_GCUT_SMR_3":2.756,"moe2D_Kier1":13.07,"moe2D_Kier2":8.187,"moe2D_Kier3":6.222,"moe2D_KierA1":10.63,"moe2D_KierA2":6.557,"moe2D_KierA3":4.918,"moe2D_KierFlex":4.648,"moe2D_PEOE_PC.":0.9615,"moe2D_PEOE_PC..1":-0.9615,"moe2D_PEOE_RPC.":0.1289,"moe2D_PEOE_RPC..1":0.3143,"moe2D_PEOE_VSA.0":79.21,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":44.12,"moe2D_PEOE_VSA.1.1":86.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9735,"moe2D_PEOE_VSA_FNEG":0.5479,"moe2D_PEOE_VSA_FPNEG":0.02649,"moe2D_PEOE_VSA_FPOL":0.02649,"moe2D_PEOE_VSA_FPOS":0.4521,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":244.4,"moe2D_PEOE_VSA_NEG":137.5,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":113.5,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.643,"moe2D_Q_PC..1":-1.643,"moe2D_Q_RPC.":0.2434,"moe2D_Q_RPC..1":0.5476,"moe2D_Q_VSA_FHYD":0.9048,"moe2D_Q_VSA_FNEG":0.2306,"moe2D_Q_VSA_FPNEG":0.02649,"moe2D_Q_VSA_FPOL":0.09516,"moe2D_Q_VSA_FPOS":0.7694,"moe2D_Q_VSA_FPPOS":0.06866,"moe2D_Q_VSA_HYD":227.2,"moe2D_Q_VSA_NEG":57.88,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":193.2,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":6.793,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":235.5,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":4.172,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":18.87,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":113.2,"moe2D_SlogP_VSA9":36.08,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.5665,"moe2D_VAdjMa":4.907,"moe2D_VDistEq":3.327,"moe2D_VDistMa":7.429,"moe2D_Weight":205.3,"moe2D_a_IC":42.08,"moe2D_a_ICM":1.107,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":38,"moe2D_a_don":1,"moe2D_a_heavy":15,"moe2D_a_hyd":14,"moe2D_a_nBr":0,"moe2D_a_nC":14,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":23,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":41.08,"moe2D_b_1rotN":7,"moe2D_b_1rotR":0.4667,"moe2D_b_ar":6,"moe2D_b_count":38,"moe2D_b_double":0,"moe2D_b_heavy":15,"moe2D_b_rotN":7,"moe2D_b_rotR":0.4667,"moe2D_b_single":32,"moe2D_b_triple":0,"moe2D_balabanJ":1.879,"moe2D_bpol":24.48,"moe2D_chi0":10.93,"moe2D_chi0_C":9.933,"moe2D_chi0v":9.836,"moe2D_chi0v_C":9.259,"moe2D_chi1":7.326,"moe2D_chi1_C":6.748,"moe2D_chi1v":6.171,"moe2D_chi1v_C":5.882,"moeGao_chi2_C":4.866,"moeGao_chi2v_C":3.926,"moeGao_chi3c":0.4928,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.2141,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":4.101,"moeGao_chi3p_C":3.524,"moeGao_chi3pv":2.799,"moeGao_chi3pv_C":2.606,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.831,"moeGao_chi4ca_C":2.498,"moeGao_chi4cav":1.794,"moeGao_chi4cav_C":1.698,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8413,"moeGao_chi4pc_C":0.433,"moeGao_chi4pcv":0.3305,"moeGao_chi4pcv_C":0.2194,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6058,"moe2D_diameter":12,"moe2D_kS_aaCH":8.265,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.279,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.258,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.636,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":9.394,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.659,"moe2D_logS":-5.186,"moe2D_mr":6.714,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":7,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":6,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":251,"moe2D_vdw_vol":339,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":212.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":482,"moe2D_weinerPol":15,"moe2D_zagreb":64}
{"Molecule":"4-phenoxyphenol","moeGao_Abra_L":6.895,"moeGao_Abra_R":1.461,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.454,"moeGao_Abra_pi":1.277,"moe2D_BCUT_PEOE_0":-2.226,"moe2D_BCUT_PEOE_1":-0.6733,"moe2D_BCUT_PEOE_2":0.7043,"moe2D_BCUT_PEOE_3":2.178,"moe2D_BCUT_SLOGP_0":-2.025,"moe2D_BCUT_SLOGP_1":-0.5806,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.418,"moe2D_BCUT_SMR_0":-1.901,"moe2D_BCUT_SMR_1":-0.5101,"moe2D_BCUT_SMR_2":0.8672,"moe2D_BCUT_SMR_3":2.5,"moe2D_GCUT_PEOE_0":-0.7656,"moe2D_GCUT_PEOE_1":-0.4181,"moe2D_GCUT_PEOE_2":0.0833,"moe2D_GCUT_PEOE_3":2.151,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.2849,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.369,"moe2D_GCUT_SMR_0":-0.4297,"moe2D_GCUT_SMR_1":-0.2222,"moe2D_GCUT_SMR_2":0.1977,"moe2D_GCUT_SMR_3":2.452,"moe2D_Kier1":10.52,"moe2D_Kier2":5.186,"moe2D_Kier3":3.273,"moe2D_KierA1":7.236,"moe2D_KierA2":3.454,"moe2D_KierA3":2.126,"moe2D_KierFlex":1.785,"moe2D_PEOE_PC.":1.028,"moe2D_PEOE_PC..1":-1.028,"moe2D_PEOE_RPC.":0.2114,"moe2D_PEOE_RPC..1":0.35,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":63.76,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":73.53,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":10.27,"moe2D_PEOE_VSA_FHYD":0.8942,"moe2D_PEOE_VSA_FNEG":0.6194,"moe2D_PEOE_VSA_FPNEG":0.05277,"moe2D_PEOE_VSA_FPOL":0.1058,"moe2D_PEOE_VSA_FPOS":0.3806,"moe2D_PEOE_VSA_FPPOS":0.05304,"moe2D_PEOE_VSA_HYD":174.1,"moe2D_PEOE_VSA_NEG":120.6,"moe2D_PEOE_VSA_PNEG":10.27,"moe2D_PEOE_VSA_POL":20.6,"moe2D_PEOE_VSA_POS":74.09,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":2.047,"moe2D_Q_PC..1":-2.047,"moe2D_Q_RPC.":0.2198,"moe2D_Q_RPC..1":0.2601,"moe2D_Q_VSA_FHYD":0.9071,"moe2D_Q_VSA_FNEG":0.6194,"moe2D_Q_VSA_FPNEG":0.0399,"moe2D_Q_VSA_FPOL":0.09294,"moe2D_Q_VSA_FPOS":0.3806,"moe2D_Q_VSA_FPPOS":0.05304,"moe2D_Q_VSA_HYD":176.6,"moe2D_Q_VSA_NEG":120.6,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":74.09,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":5.462,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":36.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":15.73,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":158.8,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":3.184,"moe2D_SlogP_VSA0":36.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":158.8,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":15.73,"moe2D_TPSA":29.46,"moe2D_VAdjEq":0.6174,"moe2D_VAdjMa":4.907,"moe2D_VDistEq":2.901,"moe2D_VDistMa":7.271,"moe2D_Weight":186.2,"moe2D_a_IC":31.8,"moe2D_a_ICM":1.325,"moe2D_a_acc":1,"moe2D_a_aro":12,"moe2D_a_count":24,"moe2D_a_don":1,"moe2D_a_heavy":14,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":29.39,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1333,"moe2D_b_ar":12,"moe2D_b_count":25,"moe2D_b_double":0,"moe2D_b_heavy":15,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1333,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":1.702,"moe2D_bpol":12.85,"moe2D_chi0":9.803,"moe2D_chi0_C":8.096,"moe2D_chi0v":7.552,"moe2D_chi0v_C":6.696,"moe2D_chi1":6.843,"moe2D_chi1_C":5.449,"moe2D_chi1v":4.364,"moe2D_chi1v_C":3.732,"moeGao_chi2_C":3.659,"moeGao_chi2v_C":2.077,"moeGao_chi3c":0.6969,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2106,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.527,"moeGao_chi3p_C":2.466,"moeGao_chi3pv":1.816,"moeGao_chi3pv_C":1.159,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.459,"moeGao_chi4ca_C":1.659,"moeGao_chi4cav":1.139,"moeGao_chi4cav_C":0.6455,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.221,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.3112,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7079,"moe2D_diameter":9,"moe2D_kS_aaCH":16.16,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.748,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.067,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":5.522,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.208,"moe2D_logS":-2.806,"moe2D_mr":5.56,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":194.7,"moe2D_vdw_vol":263,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":167.7,"moe2D_vsa_other":2.504,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":329,"moe2D_weinerPol":16,"moe2D_zagreb":68}
{"Molecule":"4-phenylpyridine","moeGao_Abra_L":4.925,"moeGao_Abra_R":0.906,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.491,"moeGao_Abra_pi":0.95,"moe2D_BCUT_PEOE_0":-2.228,"moe2D_BCUT_PEOE_1":-0.6313,"moe2D_BCUT_PEOE_2":0.7059,"moe2D_BCUT_PEOE_3":2.176,"moe2D_BCUT_SLOGP_0":-2.032,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.384,"moe2D_BCUT_SMR_0":-1.883,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.526,"moe2D_GCUT_PEOE_0":-0.755,"moe2D_GCUT_PEOE_1":-0.3721,"moe2D_GCUT_PEOE_2":0.08527,"moe2D_GCUT_PEOE_3":2.147,"moe2D_GCUT_SLOGP_0":-0.7242,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.329,"moe2D_GCUT_SMR_0":-0.4059,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.469,"moe2D_Kier1":8.592,"moe2D_Kier2":4.297,"moe2D_Kier3":2.25,"moe2D_KierA1":5.438,"moe2D_KierA2":2.591,"moe2D_KierA3":1.305,"moe2D_KierFlex":1.174,"moe2D_PEOE_PC.":0.6599,"moe2D_PEOE_PC..1":-0.6599,"moe2D_PEOE_RPC.":0.1257,"moe2D_PEOE_RPC..1":0.3989,"moe2D_PEOE_VSA.0":33.49,"moe2D_PEOE_VSA.1":38.39,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":28.93,"moe2D_PEOE_VSA.1.1":61.27,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":5.683,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9661,"moe2D_PEOE_VSA_FNEG":0.5715,"moe2D_PEOE_VSA_FPNEG":0.03387,"moe2D_PEOE_VSA_FPOL":0.03387,"moe2D_PEOE_VSA_FPOS":0.4285,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":162.1,"moe2D_PEOE_VSA_NEG":95.88,"moe2D_PEOE_VSA_PNEG":5.683,"moe2D_PEOE_VSA_POL":5.683,"moe2D_PEOE_VSA_POS":71.88,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.67,"moe2D_Q_PC..1":-1.67,"moe2D_Q_RPC.":0.09581,"moe2D_Q_RPC..1":0.3713,"moe2D_Q_VSA_FHYD":0.9661,"moe2D_Q_VSA_FNEG":0.5452,"moe2D_Q_VSA_FPNEG":0.03387,"moe2D_Q_VSA_FPOL":0.03387,"moe2D_Q_VSA_FPOS":0.4548,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":162.1,"moe2D_Q_VSA_NEG":91.47,"moe2D_Q_VSA_PNEG":5.683,"moe2D_Q_VSA_POL":5.683,"moe2D_Q_VSA_POS":76.3,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.967,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":6.371,"moe2D_SMR_VSA5":157.9,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":2.749,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":164.3,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":12.89,"moe2D_VAdjEq":0.6813,"moe2D_VAdjMa":4.7,"moe2D_VDistEq":2.55,"moe2D_VDistMa":6.846,"moe2D_Weight":155.2,"moe2D_a_IC":25.66,"moe2D_a_ICM":1.222,"moe2D_a_acc":1,"moe2D_a_aro":12,"moe2D_a_count":21,"moe2D_a_don":0,"moe2D_a_heavy":12,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":11,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":9,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":26.46,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.07692,"moe2D_b_ar":12,"moe2D_b_count":22,"moe2D_b_double":0,"moe2D_b_heavy":13,"moe2D_b_rotN":1,"moe2D_b_rotR":0.07692,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":1.83,"moe2D_bpol":11.16,"moe2D_chi0":8.226,"moe2D_chi0_C":7.519,"moe2D_chi0v":6.643,"moe2D_chi0v_C":6.196,"moe2D_chi1":5.966,"moe2D_chi1_C":4.966,"moe2D_chi1v":3.921,"moe2D_chi1v_C":3.405,"moeGao_chi2_C":3.736,"moeGao_chi2v_C":2.155,"moeGao_chi3c":0.3333,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.1667,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":3.966,"moeGao_chi3p_C":3.058,"moeGao_chi3pv":1.787,"moeGao_chi3pv_C":1.466,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.211,"moeGao_chi4ca_C":2.221,"moeGao_chi4cav":1.175,"moeGao_chi4cav_C":0.8786,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.9428,"moeGao_chi4pc_C":0.9428,"moeGao_chi4pcv":0.3849,"moeGao_chi4pcv_C":0.3849,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6611,"moe2D_diameter":7,"moe2D_kS_aaCH":17.91,"moe2D_kS_aaN":3.971,"moe2D_kS_aaaC":2.45,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.634,"moe2D_logS":-2.553,"moe2D_mr":5.079,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":167.8,"moe2D_vdw_vol":234.8,"moe2D_vsa_acc":5.683,"moe2D_vsa_don":0,"moe2D_vsa_hyd":155.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":198,"moe2D_weinerPol":14,"moe2D_zagreb":58}
{"Molecule":"5-(diethylamine)-2-pentanone(5-diethylamino-2-pentanone)","moeGao_Abra_L":5.107,"moeGao_Abra_R":0.295,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":1.079,"moeGao_Abra_pi":0.846,"moe2D_BCUT_PEOE_0":-2.694,"moe2D_BCUT_PEOE_1":-0.01548,"moe2D_BCUT_PEOE_2":0.04247,"moe2D_BCUT_PEOE_3":2.604,"moe2D_BCUT_SLOGP_0":-2.731,"moe2D_BCUT_SLOGP_1":0.06386,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.616,"moe2D_BCUT_SMR_0":-2.418,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1161,"moe2D_BCUT_SMR_3":2.87,"moe2D_GCUT_PEOE_0":-0.8608,"moe2D_GCUT_PEOE_1":-0.1912,"moe2D_GCUT_PEOE_2":-0.1175,"moe2D_GCUT_PEOE_3":2.408,"moe2D_GCUT_SLOGP_0":-0.953,"moe2D_GCUT_SLOGP_1":-0.1187,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.431,"moe2D_GCUT_SMR_0":-0.5227,"moe2D_GCUT_SMR_1":-0.0637,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.635,"moe2D_Kier1":11,"moe2D_Kier2":6.694,"moe2D_Kier3":6.4,"moe2D_KierA1":10.07,"moe2D_KierA2":6.068,"moe2D_KierA3":5.751,"moe2D_KierFlex":5.553,"moe2D_PEOE_PC.":0.7535,"moe2D_PEOE_PC..1":-0.7535,"moe2D_PEOE_RPC.":0.173,"moe2D_PEOE_RPC..1":0.4019,"moe2D_PEOE_VSA.0":89.74,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":67.03,"moe2D_PEOE_VSA.1.1":37.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9373,"moe2D_PEOE_VSA_FNEG":0.546,"moe2D_PEOE_VSA_FPNEG":0.06273,"moe2D_PEOE_VSA_FPOL":0.06273,"moe2D_PEOE_VSA_FPOS":0.454,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":202.7,"moe2D_PEOE_VSA_NEG":118.1,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":98.2,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.38,"moe2D_Q_PC..1":-1.38,"moe2D_Q_RPC.":0.3246,"moe2D_Q_RPC..1":0.587,"moe2D_Q_VSA_FHYD":0.7152,"moe2D_Q_VSA_FNEG":0.06273,"moe2D_Q_VSA_FPNEG":0.06273,"moe2D_Q_VSA_FPOL":0.2848,"moe2D_Q_VSA_FPOS":0.9373,"moe2D_Q_VSA_FPPOS":0.2221,"moe2D_Q_VSA_HYD":154.7,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":61.6,"moe2D_Q_VSA_POS":202.7,"moe2D_Q_VSA_PPOS":48.04,"moe2D_SMR":4.77,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":3.124,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":61.01,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":1.697,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":8.812,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":55.32,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":20.31,"moe2D_VAdjEq":0.6468,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.736,"moe2D_VDistMa":6.561,"moe2D_Weight":157.3,"moe2D_a_IC":37.97,"moe2D_a_ICM":1.266,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":30,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":19,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":30.41,"moe2D_b_1rotN":6,"moe2D_b_1rotR":0.6,"moe2D_b_ar":0,"moe2D_b_count":29,"moe2D_b_double":1,"moe2D_b_heavy":10,"moe2D_b_rotN":6,"moe2D_b_rotR":0.6,"moe2D_b_single":28,"moe2D_b_triple":0,"moe2D_balabanJ":3.218,"moe2D_bpol":23.71,"moe2D_chi0":8.69,"moe2D_chi0_C":7.113,"moe2D_chi0v":7.891,"moe2D_chi0v_C":7.036,"moe2D_chi1":5.202,"moe2D_chi1_C":3.4,"moe2D_chi1v":4.421,"moe2D_chi1v_C":3.268,"moeGao_chi2_C":1.05,"moeGao_chi2v_C":0.9571,"moeGao_chi3c":0.6124,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.3025,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.549,"moeGao_chi3p_C":0.4928,"moeGao_chi3pv":1.898,"moeGao_chi3pv_C":0.4268,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.512,"moeGao_chi4ca_C":0.2041,"moeGao_chi4cav":1.091,"moeGao_chi4cav_C":0.1768,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8413,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.5301,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.622,"moe2D_diameter":7,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.58,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.3029,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":5.955,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":4.989,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":2.336,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.06,"moe2D_logS":-0.5653,"moe2D_mr":4.829,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":6,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":216.3,"moe2D_vdw_vol":252.8,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":180.7,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":188,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"5-ethyl-2-methylpyridine","moeGao_Abra_L":4.5,"moeGao_Abra_R":0.65,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.439,"moeGao_Abra_pi":0.702,"moe2D_BCUT_PEOE_0":-2.416,"moe2D_BCUT_PEOE_1":-0.278,"moe2D_BCUT_PEOE_2":0.2724,"moe2D_BCUT_PEOE_3":2.37,"moe2D_BCUT_SLOGP_0":-2.318,"moe2D_BCUT_SLOGP_1":-0.2124,"moe2D_BCUT_SLOGP_2":0.339,"moe2D_BCUT_SLOGP_3":2.474,"moe2D_BCUT_SMR_0":-2.159,"moe2D_BCUT_SMR_1":-0.1115,"moe2D_BCUT_SMR_2":0.4642,"moe2D_BCUT_SMR_3":2.637,"moe2D_GCUT_PEOE_0":-0.7689,"moe2D_GCUT_PEOE_1":-0.2864,"moe2D_GCUT_PEOE_2":-0.08174,"moe2D_GCUT_PEOE_3":2.116,"moe2D_GCUT_SLOGP_0":-0.7306,"moe2D_GCUT_SLOGP_1":-0.1966,"moe2D_GCUT_SLOGP_2":-0.01329,"moe2D_GCUT_SLOGP_3":2.227,"moe2D_GCUT_SMR_0":-0.5131,"moe2D_GCUT_SMR_1":-0.1225,"moe2D_GCUT_SMR_2":0.06364,"moe2D_GCUT_SMR_3":2.387,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":2,"moe2D_KierA1":5.206,"moe2D_KierA2":2.266,"moe2D_KierA3":1.338,"moe2D_KierFlex":1.311,"moe2D_PEOE_PC.":0.4979,"moe2D_PEOE_PC..1":-0.4979,"moe2D_PEOE_RPC.":0.1671,"moe2D_PEOE_RPC..1":0.5219,"moe2D_PEOE_VSA.0":57.57,"moe2D_PEOE_VSA.1":12.8,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":41.91,"moe2D_PEOE_VSA.1.1":31,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":5.683,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9619,"moe2D_PEOE_VSA_FNEG":0.5276,"moe2D_PEOE_VSA_FPNEG":0.03815,"moe2D_PEOE_VSA_FPOL":0.03815,"moe2D_PEOE_VSA_FPOS":0.4724,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":143.3,"moe2D_PEOE_VSA_NEG":78.6,"moe2D_PEOE_VSA_PNEG":5.683,"moe2D_PEOE_VSA_POL":5.683,"moe2D_PEOE_VSA_POS":70.36,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.063,"moe2D_Q_PC..1":-1.063,"moe2D_Q_RPC.":0.1566,"moe2D_Q_RPC..1":0.583,"moe2D_Q_VSA_FHYD":0.9619,"moe2D_Q_VSA_FNEG":0.2175,"moe2D_Q_VSA_FPNEG":0.03815,"moe2D_Q_VSA_FPOL":0.03815,"moe2D_Q_VSA_FPOS":0.7825,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":143.3,"moe2D_Q_VSA_NEG":32.4,"moe2D_Q_VSA_PNEG":5.683,"moe2D_Q_VSA_POL":5.683,"moe2D_Q_VSA_POS":116.6,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.835,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.942,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":71.37,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":1.952,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":5.942,"moe2D_SlogP_VSA5":18.87,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":52.5,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":12.89,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.25,"moe2D_VDistMa":5.986,"moe2D_Weight":121.2,"moe2D_a_IC":24.38,"moe2D_a_ICM":1.219,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":20,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":22.51,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":20,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.233,"moe2D_bpol":13.35,"moe2D_chi0":6.69,"moe2D_chi0_C":5.983,"moe2D_chi0v":5.886,"moe2D_chi0v_C":5.439,"moe2D_chi1":4.326,"moe2D_chi1_C":3.417,"moe2D_chi1v":3.242,"moe2D_chi1v_C":2.76,"moeGao_chi2_C":2.26,"moeGao_chi2v_C":1.55,"moeGao_chi3c":0.4928,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.247,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":2.713,"moeGao_chi3p_C":1.441,"moeGao_chi3pv":1.381,"moeGao_chi3pv_C":0.8723,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":0.6065,"moeGao_chi4cav":0.7076,"moeGao_chi4cav_C":0.3082,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.901,"moeGao_chi4pc_C":0.3485,"moeGao_chi4pcv":0.3877,"moeGao_chi4pcv_C":0.1859,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6276,"moe2D_diameter":6,"moe2D_kS_aaCH":6.08,"moe2D_kS_aaN":4.15,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.396,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.131,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.077,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.218,"moe2D_logS":-1.116,"moe2D_mr":3.958,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":149,"moe2D_vdw_vol":193.1,"moe2D_vsa_acc":5.683,"moe2D_vsa_don":0,"moe2D_vsa_hyd":135.4,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":90,"moe2D_weinerPol":9,"moe2D_zagreb":40}
{"Molecule":"5-methyl-2-hexanone(methyl-isoamyl-ketone)","moeGao_Abra_L":3.709,"moeGao_Abra_R":0.164,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.437,"moeGao_Abra_pi":0.559,"moe2D_BCUT_PEOE_0":-2.653,"moe2D_BCUT_PEOE_1":0.02323,"moe2D_BCUT_PEOE_2":0.03415,"moe2D_BCUT_PEOE_3":2.611,"moe2D_BCUT_SLOGP_0":-2.544,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.724,"moe2D_BCUT_SMR_0":-2.407,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.859,"moe2D_GCUT_PEOE_0":-0.799,"moe2D_GCUT_PEOE_1":-0.1368,"moe2D_GCUT_PEOE_2":-0.1258,"moe2D_GCUT_PEOE_3":2.255,"moe2D_GCUT_SLOGP_0":-0.8109,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.351,"moe2D_GCUT_SMR_0":-0.5334,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.472,"moe2D_Kier1":8,"moe2D_Kier2":3.938,"moe2D_Kier3":7.2,"moe2D_KierA1":7.054,"moe2D_KierA2":3.401,"moe2D_KierA3":6.108,"moe2D_KierFlex":2.999,"moe2D_PEOE_PC.":0.5195,"moe2D_PEOE_PC..1":-0.5195,"moe2D_PEOE_RPC.":0.2509,"moe2D_PEOE_RPC..1":0.5731,"moe2D_PEOE_VSA.0":68.42,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":37.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9127,"moe2D_PEOE_VSA_FNEG":0.5053,"moe2D_PEOE_VSA_FPNEG":0.08731,"moe2D_PEOE_VSA_FPOL":0.08731,"moe2D_PEOE_VSA_FPOS":0.4947,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":141.8,"moe2D_PEOE_VSA_NEG":78.51,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":76.88,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8583,"moe2D_Q_VSA_FNEG":0.08731,"moe2D_Q_VSA_FPNEG":0.08731,"moe2D_Q_VSA_FPOL":0.1417,"moe2D_Q_VSA_FPOS":0.9127,"moe2D_Q_VSA_FPPOS":0.05444,"moe2D_Q_VSA_HYD":133.4,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":141.8,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":3.475,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":4.411,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":2.012,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":4.411,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":2.262,"moe2D_VDistMa":5.612,"moe2D_Weight":114.2,"moe2D_a_IC":25.15,"moe2D_a_ICM":1.143,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":22,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":22.46,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.4286,"moe2D_b_ar":0,"moe2D_b_count":21,"moe2D_b_double":1,"moe2D_b_heavy":7,"moe2D_b_rotN":3,"moe2D_b_rotR":0.4286,"moe2D_b_single":20,"moe2D_b_triple":0,"moe2D_balabanJ":2.952,"moe2D_bpol":16.26,"moe2D_chi0":6.569,"moe2D_chi0_C":5.569,"moe2D_chi0v":5.9,"moe2D_chi0v_C":5.492,"moe2D_chi1":3.626,"moe2D_chi1_C":3.049,"moe2D_chi1v":3.121,"moe2D_chi1v_C":2.917,"moeGao_chi2_C":2.379,"moeGao_chi2v_C":2.286,"moeGao_chi3c":0.8165,"moeGao_chi3c_C":0.4082,"moeGao_chi3cv":0.5526,"moeGao_chi3cv_C":0.4082,"moeGao_chi3p":1.321,"moeGao_chi3p_C":1.033,"moeGao_chi3pv":1.074,"moeGao_chi3pv_C":0.9717,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6667,"moeGao_chi4ca_C":0.5,"moeGao_chi4cav":0.4919,"moeGao_chi4cav_C":0.433,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.5774,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.3907,"moeGao_chi4pcv_C":0.2887,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6137,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.35,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.3044,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":5.897,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.785,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.6656,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.814,"moe2D_logS":-1.684,"moe2D_mr":3.55,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":155.4,"moe2D_vdw_vol":186.1,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":122.1,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":74,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"5-nonanone","moeGao_Abra_L":4.885,"moeGao_Abra_R":0.179,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.419,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.622,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.03415,"moe2D_BCUT_PEOE_3":2.604,"moe2D_BCUT_SLOGP_0":-2.515,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.723,"moe2D_BCUT_SMR_0":-2.378,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.852,"moe2D_GCUT_PEOE_0":-0.7935,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.1258,"moe2D_GCUT_PEOE_3":2.345,"moe2D_GCUT_SLOGP_0":-0.8109,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.449,"moe2D_GCUT_SMR_0":-0.5333,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.563,"moe2D_Kier1":10,"moe2D_Kier2":7.111,"moe2D_Kier3":7,"moe2D_KierA1":9.064,"moe2D_KierA2":6.368,"moe2D_KierA3":6.207,"moe2D_KierFlex":5.772,"moe2D_PEOE_PC.":0.6322,"moe2D_PEOE_PC..1":-0.6322,"moe2D_PEOE_RPC.":0.2109,"moe2D_PEOE_RPC..1":0.4704,"moe2D_PEOE_VSA.0":94.18,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":54.9,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.928,"moe2D_PEOE_VSA_FNEG":0.4555,"moe2D_PEOE_VSA_FPNEG":0.07197,"moe2D_PEOE_VSA_FPOL":0.07197,"moe2D_PEOE_VSA_FPOS":0.5445,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":174.9,"moe2D_PEOE_VSA_NEG":85.87,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":102.6,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8832,"moe2D_Q_VSA_FNEG":0.07197,"moe2D_Q_VSA_FPNEG":0.07197,"moe2D_Q_VSA_FPOL":0.1168,"moe2D_Q_VSA_FPOS":0.928,"moe2D_Q_VSA_FPPOS":0.04487,"moe2D_Q_VSA_HYD":166.5,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":174.9,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":4.406,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":113.2,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.936,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":113.2,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.759,"moe2D_VDistMa":6.263,"moe2D_Weight":142.2,"moe2D_a_IC":31.02,"moe2D_a_ICM":1.108,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":28,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":18,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":28.64,"moe2D_b_1rotN":6,"moe2D_b_1rotR":0.6667,"moe2D_b_ar":0,"moe2D_b_count":27,"moe2D_b_double":1,"moe2D_b_heavy":9,"moe2D_b_rotN":6,"moe2D_b_rotR":0.6667,"moe2D_b_single":26,"moe2D_b_triple":0,"moe2D_balabanJ":3.016,"moe2D_bpol":20.64,"moe2D_chi0":7.82,"moe2D_chi0_C":6.82,"moe2D_chi0v":7.151,"moe2D_chi0v_C":6.743,"moe2D_chi1":4.808,"moe2D_chi1_C":4.231,"moe2D_chi1v":4.325,"moe2D_chi1v_C":4.121,"moeGao_chi2_C":2.573,"moeGao_chi2v_C":2.457,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1021,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.101,"moeGao_chi3p_C":1.524,"moeGao_chi3pv":1.618,"moeGao_chi3pv_C":1.414,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.25,"moeGao_chi4ca_C":0.8413,"moeGao_chi4cav":0.8729,"moeGao_chi4cav_C":0.7286,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1443,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6054,"moe2D_diameter":8,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.96,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.4479,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.236,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":6.022,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.815,"moe2D_logS":-2.401,"moe2D_mr":4.514,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":6,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":188.5,"moe2D_vdw_vol":234.9,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":153.7,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":149,"moe2D_weinerPol":8,"moe2D_zagreb":36}
{"Molecule":"acetaldehyde","moeGao_Abra_L":1.415,"moeGao_Abra_R":0.171,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.423,"moeGao_Abra_pi":0.622,"moe2D_BCUT_PEOE_0":-2.096,"moe2D_BCUT_PEOE_1":-0.1584,"moe2D_BCUT_PEOE_2":0.0303,"moe2D_BCUT_PEOE_3":2.151,"moe2D_BCUT_SLOGP_0":-2.101,"moe2D_BCUT_SLOGP_1":-0.06244,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.176,"moe2D_BCUT_SMR_0":-1.881,"moe2D_BCUT_SMR_1":0.03605,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.381,"moe2D_GCUT_PEOE_0":-0.6946,"moe2D_GCUT_PEOE_1":-0.2248,"moe2D_GCUT_PEOE_2":-0.1297,"moe2D_GCUT_PEOE_3":1.411,"moe2D_GCUT_SLOGP_0":-0.8079,"moe2D_GCUT_SLOGP_1":-0.1849,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.425,"moe2D_GCUT_SMR_0":-0.4687,"moe2D_GCUT_SMR_1":-0.09986,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":1.63,"moe2D_Kier1":3,"moe2D_Kier2":2,"moe2D_Kier3":0,"moe2D_KierA1":1.951,"moe2D_KierA2":0.833,"moe2D_KierA3":0,"moe2D_KierFlex":0.5417,"moe2D_PEOE_PC.":0.3105,"moe2D_PEOE_PC..1":-0.3105,"moe2D_PEOE_RPC.":0.3777,"moe2D_PEOE_RPC..1":0.9706,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":22.77,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":13.57,"moe2D_PEOE_VSA_FHYD":0.8001,"moe2D_PEOE_VSA_FNEG":0.476,"moe2D_PEOE_VSA_FPNEG":0.1999,"moe2D_PEOE_VSA_FPOL":0.1999,"moe2D_PEOE_VSA_FPOS":0.524,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":54.31,"moe2D_PEOE_VSA_NEG":32.31,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":35.57,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.7877,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.5275,"moe2D_Q_VSA_FNEG":0.1999,"moe2D_Q_VSA_FPNEG":0.1999,"moe2D_Q_VSA_FPOL":0.4725,"moe2D_Q_VSA_FPOS":0.8001,"moe2D_Q_VSA_FPPOS":0.2726,"moe2D_Q_VSA_HYD":35.81,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":54.31,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":1.174,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":53.47,"moe2D_SlogP":0.2052,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":44.01,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.9911,"moe2D_VAdjMa":2,"moe2D_VDistEq":0.9183,"moe2D_VDistMa":2.5,"moe2D_Weight":44.05,"moe2D_a_IC":9.651,"moe2D_a_ICM":1.379,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":7,"moe2D_a_don":0,"moe2D_a_heavy":3,"moe2D_a_hyd":1,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":6.989,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":6,"moe2D_b_double":1,"moe2D_b_heavy":2,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":5,"moe2D_b_triple":0,"moe2D_balabanJ":1.976,"moe2D_bpol":5.331,"moe2D_chi0":2.707,"moe2D_chi0_C":1.707,"moe2D_chi0v":1.986,"moe2D_chi0v_C":1.577,"moe2D_chi1":1.414,"moe2D_chi1_C":0.7071,"moe2D_chi1v":0.8131,"moe2D_chi1v_C":0.5774,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.689,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":8.806,"moe2D_kS_dsCH":0.75,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.444,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.171,"moe2D_logS":0.3695,"moe2D_mr":1.297,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":67.88,"moe2D_vdw_vol":63.93,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":29.41,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":4,"moe2D_weinerPol":0,"moe2D_zagreb":6}
{"Molecule":"acetic","moeGao_Abra_L":1.873,"moeGao_Abra_R":0.152,"moeGao_Abra_acidity":0.618,"moeGao_Abra_basicity":0.411,"moeGao_Abra_pi":0.508,"moe2D_BCUT_PEOE_0":-2.113,"moe2D_BCUT_PEOE_1":-0.3431,"moe2D_BCUT_PEOE_2":0.324,"moe2D_BCUT_PEOE_3":2.203,"moe2D_BCUT_SLOGP_0":-2.179,"moe2D_BCUT_SLOGP_1":-0.2939,"moe2D_BCUT_SLOGP_2":0.3112,"moe2D_BCUT_SLOGP_3":2.181,"moe2D_BCUT_SMR_0":-1.91,"moe2D_BCUT_SMR_1":-0.175,"moe2D_BCUT_SMR_2":0.4385,"moe2D_BCUT_SMR_3":2.409,"moe2D_GCUT_PEOE_0":-0.7077,"moe2D_GCUT_PEOE_1":-0.3712,"moe2D_GCUT_PEOE_2":0.03264,"moe2D_GCUT_PEOE_3":1.493,"moe2D_GCUT_SLOGP_0":-0.8724,"moe2D_GCUT_SLOGP_1":-0.313,"moe2D_GCUT_SLOGP_2":0.01597,"moe2D_GCUT_SLOGP_3":1.462,"moe2D_GCUT_SMR_0":-0.4694,"moe2D_GCUT_SMR_1":-0.1785,"moe2D_GCUT_SMR_2":0.1333,"moe2D_GCUT_SMR_3":1.692,"moe2D_Kier1":4,"moe2D_Kier2":1.333,"moe2D_Kier3":0,"moe2D_KierA1":2.997,"moe2D_KierA2":0.867,"moe2D_KierA3":0,"moe2D_KierFlex":0.6496,"moe2D_PEOE_PC.":0.597,"moe2D_PEOE_PC..1":-0.597,"moe2D_PEOE_RPC.":0.4296,"moe2D_PEOE_RPC..1":0.5553,"moe2D_PEOE_VSA.0":31.54,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.4049,"moe2D_PEOE_VSA_FNEG":0.2738,"moe2D_PEOE_VSA_FPNEG":0.2738,"moe2D_PEOE_VSA_FPOL":0.5951,"moe2D_PEOE_VSA_FPOS":0.7262,"moe2D_PEOE_VSA_FPPOS":0.3213,"moe2D_PEOE_VSA_HYD":31.54,"moe2D_PEOE_VSA_NEG":21.33,"moe2D_PEOE_VSA_PNEG":21.33,"moe2D_PEOE_VSA_POL":46.37,"moe2D_PEOE_VSA_POS":56.58,"moe2D_PEOE_VSA_PPOS":25.03,"moe2D_Q_PC.":1.22,"moe2D_Q_PC..1":-1.22,"moe2D_Q_RPC.":0.5402,"moe2D_Q_RPC..1":0.5328,"moe2D_Q_VSA_FHYD":0.4049,"moe2D_Q_VSA_FNEG":0.2738,"moe2D_Q_VSA_FPNEG":0.2738,"moe2D_Q_VSA_FPOL":0.5951,"moe2D_Q_VSA_FPOS":0.7262,"moe2D_Q_VSA_FPPOS":0.3213,"moe2D_Q_VSA_HYD":31.54,"moe2D_Q_VSA_NEG":21.33,"moe2D_Q_VSA_PNEG":21.33,"moe2D_Q_VSA_POL":46.37,"moe2D_Q_VSA_POS":56.58,"moe2D_Q_VSA_PPOS":25.03,"moe2D_SMR":1.331,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":25.39,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":7.745,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":0.0909,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":25.39,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":37.3,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1,"moe2D_VDistMa":3.503,"moe2D_Weight":60.05,"moe2D_a_IC":12,"moe2D_a_ICM":1.5,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":8,"moe2D_a_don":2,"moe2D_a_heavy":4,"moe2D_a_hyd":1,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":7.791,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":7,"moe2D_b_double":1,"moe2D_b_heavy":3,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.591,"moe2D_bpol":5.331,"moe2D_chi0":3.577,"moe2D_chi0_C":1.577,"moe2D_chi0v":2.355,"moe2D_chi0v_C":1.5,"moe2D_chi1":1.732,"moe2D_chi1_C":0.5774,"moe2D_chi1v":0.9277,"moe2D_chi1v_C":0.5,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.09129,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8288,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.8333,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.083,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":7.417,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.079,"moe2D_logS":0.4063,"moe2D_mr":1.392,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":77.91,"moe2D_vdw_vol":72.46,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":29.41,"moe2D_vsa_other":14.71,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":9,"moe2D_weinerPol":0,"moe2D_zagreb":12}
{"Molecule":"acetone","moeGao_Abra_L":1.891,"moeGao_Abra_R":0.179,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.419,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.257,"moe2D_BCUT_PEOE_1":0.03057,"moe2D_BCUT_PEOE_2":0.03057,"moe2D_BCUT_PEOE_3":2.312,"moe2D_BCUT_SLOGP_0":-2.261,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.332,"moe2D_BCUT_SMR_0":-2.03,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.553,"moe2D_GCUT_PEOE_0":-0.7067,"moe2D_GCUT_PEOE_1":-0.1294,"moe2D_GCUT_PEOE_2":-0.1294,"moe2D_GCUT_PEOE_3":1.663,"moe2D_GCUT_SLOGP_0":-0.8107,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.692,"moe2D_GCUT_SMR_0":-0.4689,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":1.885,"moe2D_Kier1":4,"moe2D_Kier2":1.333,"moe2D_Kier3":0,"moe2D_KierA1":2.997,"moe2D_KierA2":0.867,"moe2D_KierA3":0,"moe2D_KierFlex":0.6496,"moe2D_PEOE_PC.":0.3107,"moe2D_PEOE_PC..1":-0.3107,"moe2D_PEOE_RPC.":0.4097,"moe2D_PEOE_RPC..1":0.9592,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.8406,"moe2D_PEOE_VSA_FNEG":0.5999,"moe2D_PEOE_VSA_FPNEG":0.1594,"moe2D_PEOE_VSA_FPOL":0.1594,"moe2D_PEOE_VSA_FPOS":0.4001,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":71.55,"moe2D_PEOE_VSA_NEG":51.06,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":34.05,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7412,"moe2D_Q_VSA_FNEG":0.1594,"moe2D_Q_VSA_FPNEG":0.1594,"moe2D_Q_VSA_FPOL":0.2588,"moe2D_Q_VSA_FPOS":0.8406,"moe2D_Q_VSA_FPPOS":0.09938,"moe2D_Q_VSA_HYD":63.09,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":71.55,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":1.635,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.5953,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1,"moe2D_VDistMa":3.503,"moe2D_Weight":58.08,"moe2D_a_IC":12.95,"moe2D_a_ICM":1.295,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":10,"moe2D_a_don":0,"moe2D_a_heavy":4,"moe2D_a_hyd":2,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":10.08,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":9,"moe2D_b_double":1,"moe2D_b_heavy":3,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.591,"moe2D_bpol":7.517,"moe2D_chi0":3.577,"moe2D_chi0_C":2.577,"moe2D_chi0v":2.908,"moe2D_chi0v_C":2.5,"moe2D_chi1":1.732,"moe2D_chi1_C":1.155,"moe2D_chi1v":1.204,"moe2D_chi1v_C":1,"moeGao_chi2_C":0.5774,"moeGao_chi2v_C":0.5,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2041,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6573,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.444,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.1667,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.056,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.097,"moe2D_logS":0.06339,"moe2D_mr":1.723,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":85.11,"moe2D_vdw_vol":88.36,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":58.82,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":9,"moe2D_weinerPol":0,"moe2D_zagreb":12}
{"Molecule":"acetoneoxime-acetoxime","moeGao_Abra_L":1.833,"moeGao_Abra_R":0.398,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.592,"moeGao_Abra_pi":0.6,"moe2D_BCUT_PEOE_0":-2.302,"moe2D_BCUT_PEOE_1":-0.0925,"moe2D_BCUT_PEOE_2":0.1592,"moe2D_BCUT_PEOE_3":2.297,"moe2D_BCUT_SLOGP_0":-2.272,"moe2D_BCUT_SLOGP_1":-0.03868,"moe2D_BCUT_SLOGP_2":0.2294,"moe2D_BCUT_SLOGP_3":2.349,"moe2D_BCUT_SMR_0":-2.04,"moe2D_BCUT_SMR_1":0.02521,"moe2D_BCUT_SMR_2":0.2737,"moe2D_BCUT_SMR_3":2.574,"moe2D_GCUT_PEOE_0":-0.7641,"moe2D_GCUT_PEOE_1":-0.2156,"moe2D_GCUT_PEOE_2":-0.08007,"moe2D_GCUT_PEOE_3":1.726,"moe2D_GCUT_SLOGP_0":-0.7774,"moe2D_GCUT_SLOGP_1":-0.1494,"moe2D_GCUT_SLOGP_2":0.00543,"moe2D_GCUT_SLOGP_3":1.789,"moe2D_GCUT_SMR_0":-0.4667,"moe2D_GCUT_SMR_1":-0.08126,"moe2D_GCUT_SMR_2":0.03546,"moe2D_GCUT_SMR_3":1.984,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":4.021,"moe2D_KierA2":1.686,"moe2D_KierA3":2.673,"moe2D_KierFlex":1.356,"moe2D_PEOE_PC.":0.4602,"moe2D_PEOE_PC..1":-0.4602,"moe2D_PEOE_RPC.":0.5359,"moe2D_PEOE_RPC..1":0.5781,"moe2D_PEOE_VSA.0":32.29,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":10.89,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":11.17,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.7896,"moe2D_PEOE_VSA_FNEG":0.5829,"moe2D_PEOE_VSA_FPNEG":0.1093,"moe2D_PEOE_VSA_FPOL":0.2104,"moe2D_PEOE_VSA_FPOS":0.4171,"moe2D_PEOE_VSA_FPPOS":0.1011,"moe2D_PEOE_VSA_HYD":80.67,"moe2D_PEOE_VSA_NEG":59.55,"moe2D_PEOE_VSA_PNEG":11.17,"moe2D_PEOE_VSA_POL":21.49,"moe2D_PEOE_VSA_POS":42.62,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.85,"moe2D_Q_PC..1":-0.85,"moe2D_Q_RPC.":0.4706,"moe2D_Q_RPC..1":0.6035,"moe2D_Q_VSA_FHYD":0.6175,"moe2D_Q_VSA_FNEG":0.2158,"moe2D_Q_VSA_FPNEG":0.2158,"moe2D_Q_VSA_FPOL":0.3825,"moe2D_Q_VSA_FPOS":0.7842,"moe2D_Q_VSA_FPPOS":0.1666,"moe2D_Q_VSA_HYD":63.09,"moe2D_Q_VSA_NEG":22.05,"moe2D_Q_VSA_PNEG":22.05,"moe2D_Q_VSA_POL":39.08,"moe2D_Q_VSA_POS":80.11,"moe2D_Q_VSA_PPOS":17.02,"moe2D_SMR":2.141,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":19.4,"moe2D_SMR_VSA2":25.6,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":2.757,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.8564,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":2.757,"moe2D_SlogP_VSA2":25.6,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":19.4,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":32.59,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":73.09,"moe2D_a_IC":18.61,"moe2D_a_ICM":1.551,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":12,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":2,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":11.85,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":11,"moe2D_b_double":1,"moe2D_b_heavy":4,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.706,"moe2D_bpol":7.652,"moe2D_chi0":4.284,"moe2D_chi0_C":2.577,"moe2D_chi0v":3.394,"moe2D_chi0v_C":2.5,"moe2D_chi1":2.27,"moe2D_chi1_C":1.155,"moe2D_chi1v":1.424,"moe2D_chi1v_C":1,"moeGao_chi2_C":0.5774,"moeGao_chi2v_C":0.5,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2236,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.2,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7026,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":2.806,"moe2D_kS_dssC":0.6852,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.444,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":7.731,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.343,"moe2D_logS":0.2482,"moe2D_mr":2.047,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":102.2,"moe2D_vdw_vol":104,"moe2D_vsa_acc":10.89,"moe2D_vsa_don":0,"moe2D_vsa_hyd":58.82,"moe2D_vsa_other":6.7,"moe2D_vsa_pol":27.85,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"acetonitrile","moeGao_Abra_L":1.54,"moeGao_Abra_R":0.184,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.348,"moeGao_Abra_pi":0.93,"moe2D_BCUT_PEOE_0":-1.991,"moe2D_BCUT_PEOE_1":-0.1675,"moe2D_BCUT_PEOE_2":0.1722,"moe2D_BCUT_PEOE_3":2.053,"moe2D_BCUT_SLOGP_0":-1.908,"moe2D_BCUT_SLOGP_1":-0.07358,"moe2D_BCUT_SLOGP_2":0.2557,"moe2D_BCUT_SLOGP_3":2.138,"moe2D_BCUT_SMR_0":-1.809,"moe2D_BCUT_SMR_1":-0.01536,"moe2D_BCUT_SMR_2":0.3172,"moe2D_BCUT_SMR_3":2.244,"moe2D_GCUT_PEOE_0":-0.6686,"moe2D_GCUT_PEOE_1":-0.2506,"moe2D_GCUT_PEOE_2":-0.03648,"moe2D_GCUT_PEOE_3":1.286,"moe2D_GCUT_SLOGP_0":-0.5899,"moe2D_GCUT_SLOGP_1":-0.1576,"moe2D_GCUT_SLOGP_2":0.05102,"moe2D_GCUT_SLOGP_3":1.366,"moe2D_GCUT_SMR_0":-0.471,"moe2D_GCUT_SMR_1":-0.09786,"moe2D_GCUT_SMR_2":0.09946,"moe2D_GCUT_SMR_3":1.486,"moe2D_Kier1":3,"moe2D_Kier2":2,"moe2D_Kier3":0,"moe2D_KierA1":1.456,"moe2D_KierA2":0.411,"moe2D_KierA3":0,"moe2D_KierFlex":0.1994,"moe2D_PEOE_PC.":0.1969,"moe2D_PEOE_PC..1":-0.1969,"moe2D_PEOE_RPC.":0.3004,"moe2D_PEOE_RPC..1":1,"moe2D_PEOE_VSA.0":31.54,"moe2D_PEOE_VSA.1":20.3,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":17.74,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.255,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.745,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":69.59,"moe2D_PEOE_VSA_NEG":17.74,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":51.84,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.5571,"moe2D_Q_PC..1":-0.5571,"moe2D_Q_RPC.":0.641,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.4533,"moe2D_Q_VSA_FNEG":0.255,"moe2D_Q_VSA_FPNEG":0.255,"moe2D_Q_VSA_FPOL":0.5467,"moe2D_Q_VSA_FPOS":0.745,"moe2D_Q_VSA_FPPOS":0.2917,"moe2D_Q_VSA_HYD":31.54,"moe2D_Q_VSA_NEG":17.74,"moe2D_Q_VSA_PNEG":17.74,"moe2D_Q_VSA_POL":38.04,"moe2D_Q_VSA_POS":51.84,"moe2D_Q_VSA_PPOS":20.3,"moe2D_SMR":1.129,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":31.06,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":16.6,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":0.5299,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":47.66,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":23.79,"moe2D_VAdjEq":0.9911,"moe2D_VAdjMa":2,"moe2D_VDistEq":0.9183,"moe2D_VDistMa":2.5,"moe2D_Weight":41.05,"moe2D_a_IC":8.755,"moe2D_a_ICM":1.459,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":6,"moe2D_a_don":0,"moe2D_a_heavy":3,"moe2D_a_hyd":1,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":3,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":6.62,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":5,"moe2D_b_double":0,"moe2D_b_heavy":2,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":4,"moe2D_b_triple":1,"moe2D_balabanJ":2.134,"moe2D_bpol":3.94,"moe2D_chi0":2.707,"moe2D_chi0_C":1.707,"moe2D_chi0v":1.947,"moe2D_chi0v_C":1.5,"moe2D_chi1":1.414,"moe2D_chi1_C":0.7071,"moe2D_chi1v":0.7236,"moe2D_chi1v_C":0.5,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6439,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.431,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":7.319,"moe2D_kS_tsC":1.75,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.096,"moe2D_logS":0.02473,"moe2D_mr":1.33,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":69.59,"moe2D_vdw_vol":63.76,"moe2D_vsa_acc":17.74,"moe2D_vsa_don":0,"moe2D_vsa_hyd":29.41,"moe2D_vsa_other":20.3,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":4,"moe2D_weinerPol":0,"moe2D_zagreb":6}
{"Molecule":"acetophenone","moeGao_Abra_L":4.539,"moeGao_Abra_R":0.803,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.467,"moeGao_Abra_pi":1.024,"moe2D_BCUT_PEOE_0":-2.23,"moe2D_BCUT_PEOE_1":-0.6017,"moe2D_BCUT_PEOE_2":0.6507,"moe2D_BCUT_PEOE_3":2.265,"moe2D_BCUT_SLOGP_0":-2.192,"moe2D_BCUT_SLOGP_1":-0.4934,"moe2D_BCUT_SLOGP_2":0.7503,"moe2D_BCUT_SLOGP_3":2.327,"moe2D_BCUT_SMR_0":-1.952,"moe2D_BCUT_SMR_1":-0.4578,"moe2D_BCUT_SMR_2":0.7994,"moe2D_BCUT_SMR_3":2.553,"moe2D_GCUT_PEOE_0":-0.7483,"moe2D_GCUT_PEOE_1":-0.3739,"moe2D_GCUT_PEOE_2":0.07232,"moe2D_GCUT_PEOE_3":2.017,"moe2D_GCUT_SLOGP_0":-0.778,"moe2D_GCUT_SLOGP_1":-0.2493,"moe2D_GCUT_SLOGP_2":0.1553,"moe2D_GCUT_SLOGP_3":2.13,"moe2D_GCUT_SMR_0":-0.468,"moe2D_GCUT_SMR_1":-0.2042,"moe2D_GCUT_SMR_2":0.1808,"moe2D_GCUT_SMR_3":2.312,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":2,"moe2D_KierA1":4.682,"moe2D_KierA2":2.004,"moe2D_KierA3":1.163,"moe2D_KierFlex":1.043,"moe2D_PEOE_PC.":0.5802,"moe2D_PEOE_PC..1":-0.5802,"moe2D_PEOE_RPC.":0.2759,"moe2D_PEOE_RPC..1":0.5039,"moe2D_PEOE_VSA.0":15,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":8.459,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":61.27,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.902,"moe2D_PEOE_VSA_FNEG":0.6763,"moe2D_PEOE_VSA_FPNEG":0.09804,"moe2D_PEOE_VSA_FPOL":0.09804,"moe2D_PEOE_VSA_FPOS":0.3237,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":124.8,"moe2D_PEOE_VSA_NEG":93.59,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":44.79,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.32,"moe2D_Q_PC..1":-1.32,"moe2D_Q_RPC.":0.3203,"moe2D_Q_RPC..1":0.4318,"moe2D_Q_VSA_FHYD":0.8408,"moe2D_Q_VSA_FNEG":0.5408,"moe2D_Q_VSA_FPNEG":0.09804,"moe2D_Q_VSA_FPOL":0.1592,"moe2D_Q_VSA_FPOS":0.4592,"moe2D_Q_VSA_FPPOS":0.06113,"moe2D_Q_VSA_HYD":116.4,"moe2D_Q_VSA_NEG":74.84,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":63.54,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":3.645,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.889,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.15,"moe2D_VDistMa":6.005,"moe2D_Weight":120.2,"moe2D_a_IC":21.49,"moe2D_a_ICM":1.264,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":17,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":20.22,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":17,"moe2D_b_double":1,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.291,"moe2D_bpol":9.704,"moe2D_chi0":6.69,"moe2D_chi0_C":5.69,"moe2D_chi0v":5.295,"moe2D_chi0v_C":4.887,"moe2D_chi1":4.305,"moe2D_chi1_C":3.727,"moe2D_chi1v":2.865,"moe2D_chi1v_C":2.661,"moeGao_chi2_C":2.731,"moeGao_chi2v_C":1.616,"moeGao_chi3c":0.5,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.1854,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":2.593,"moeGao_chi3p_C":2.121,"moeGao_chi3pv":1.18,"moeGao_chi3pv_C":1.062,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.801,"moeGao_chi4ca_C":1.468,"moeGao_chi4cav":0.6729,"moeGao_chi4cav_C":0.6048,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.04,"moeGao_chi4pc_C":0.4024,"moeGao_chi4pcv":0.3314,"moeGao_chi4pcv_C":0.1796,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6716,"moe2D_diameter":5,"moe2D_kS_aaCH":9.227,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.7755,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.65,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.1209,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.565,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.759,"moe2D_logS":-1.697,"moe2D_mr":3.771,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":138.4,"moe2D_vdw_vol":178.9,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":110.7,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":88,"moe2D_weinerPol":9,"moe2D_zagreb":40}
{"Molecule":"acridine","moeGao_Abra_L":7.901,"moeGao_Abra_R":2.106,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.567,"moeGao_Abra_pi":1.434,"moe2D_BCUT_PEOE_0":-2.204,"moe2D_BCUT_PEOE_1":-0.656,"moe2D_BCUT_PEOE_2":0.6645,"moe2D_BCUT_PEOE_3":2.167,"moe2D_BCUT_SLOGP_0":-2.012,"moe2D_BCUT_SLOGP_1":-0.5625,"moe2D_BCUT_SLOGP_2":0.761,"moe2D_BCUT_SLOGP_3":2.371,"moe2D_BCUT_SMR_0":-1.85,"moe2D_BCUT_SMR_1":-0.4721,"moe2D_BCUT_SMR_2":0.8508,"moe2D_BCUT_SMR_3":2.529,"moe2D_GCUT_PEOE_0":-0.7448,"moe2D_GCUT_PEOE_1":-0.4147,"moe2D_GCUT_PEOE_2":0.0665,"moe2D_GCUT_PEOE_3":2.276,"moe2D_GCUT_SLOGP_0":-0.6836,"moe2D_GCUT_SLOGP_1":-0.288,"moe2D_GCUT_SLOGP_2":0.1496,"moe2D_GCUT_SLOGP_3":2.466,"moe2D_GCUT_SMR_0":-0.4003,"moe2D_GCUT_SMR_1":-0.21,"moe2D_GCUT_SMR_2":0.203,"moe2D_GCUT_SMR_3":2.619,"moe2D_Kier1":9.242,"moe2D_Kier2":3.868,"moe2D_Kier3":1.76,"moe2D_KierA1":5.885,"moe2D_KierA2":2.367,"moe2D_KierA3":1.044,"moe2D_KierFlex":0.9948,"moe2D_PEOE_PC.":0.7082,"moe2D_PEOE_PC..1":-0.7082,"moe2D_PEOE_RPC.":0.1012,"moe2D_PEOE_RPC..1":0.3483,"moe2D_PEOE_VSA.0":4.417,"moe2D_PEOE_VSA.1":51.79,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":73.53,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":5.683,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.967,"moe2D_PEOE_VSA_FNEG":0.6736,"moe2D_PEOE_VSA_FPNEG":0.033,"moe2D_PEOE_VSA_FPOL":0.033,"moe2D_PEOE_VSA_FPOS":0.3264,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":166.5,"moe2D_PEOE_VSA_NEG":116,"moe2D_PEOE_VSA_PNEG":5.683,"moe2D_PEOE_VSA_POL":5.683,"moe2D_PEOE_VSA_POS":56.2,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.97,"moe2D_Q_PC..1":-1.97,"moe2D_Q_RPC.":0.1574,"moe2D_Q_RPC..1":0.3147,"moe2D_Q_VSA_FHYD":0.8892,"moe2D_Q_VSA_FNEG":0.6736,"moe2D_Q_VSA_FPNEG":0.033,"moe2D_Q_VSA_FPOL":0.1108,"moe2D_Q_VSA_FPOS":0.3264,"moe2D_Q_VSA_FPPOS":0.07782,"moe2D_Q_VSA_HYD":153.1,"moe2D_Q_VSA_NEG":116,"moe2D_Q_VSA_PNEG":5.683,"moe2D_Q_VSA_POL":19.08,"moe2D_Q_VSA_POS":56.2,"moe2D_Q_VSA_PPOS":13.4,"moe2D_SMR":5.925,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":9.434,"moe2D_SMR_VSA5":158.8,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":3.388,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":168.2,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":12.89,"moe2D_VAdjEq":0.6421,"moe2D_VAdjMa":5,"moe2D_VDistEq":2.57,"moe2D_VDistMa":7.317,"moe2D_Weight":179.2,"moe2D_a_IC":27.41,"moe2D_a_ICM":1.192,"moe2D_a_acc":1,"moe2D_a_aro":14,"moe2D_a_count":23,"moe2D_a_don":0,"moe2D_a_heavy":14,"moe2D_a_hyd":13,"moe2D_a_nBr":0,"moe2D_a_nC":13,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":9,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":29.98,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":16,"moe2D_b_count":25,"moe2D_b_double":0,"moe2D_b_heavy":16,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":1.705,"moe2D_bpol":11.16,"moe2D_chi0":9.38,"moe2D_chi0_C":8.673,"moe2D_chi0v":7.643,"moe2D_chi0v_C":7.196,"moe2D_chi1":6.933,"moe2D_chi1_C":6.116,"moe2D_chi1v":4.679,"moe2D_chi1v_C":4.232,"moeGao_chi2_C":4.796,"moeGao_chi2v_C":2.78,"moeGao_chi3c":0.6667,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.2958,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":5.344,"moeGao_chi3p_C":3.664,"moeGao_chi3pv":2.425,"moeGao_chi3pv_C":1.777,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":4.588,"moeGao_chi4ca_C":2.862,"moeGao_chi4cav":1.72,"moeGao_chi4cav_C":1.162,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.799,"moeGao_chi4pc_C":0.6639,"moeGao_chi4pcv":0.6385,"moeGao_chi4pcv_C":0.2758,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6793,"moe2D_diameter":7,"moe2D_kS_aaCH":18.57,"moe2D_kS_aaN":4.578,"moe2D_kS_aaaC":4.523,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.579,"moe2D_logS":-3.82,"moe2D_mr":5.8,"moe2D_opr_brigid":16,"moe2D_opr_leadlike":1,"moe2D_opr_nring":3,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":3,"moe2D_vdw_area":172.2,"moe2D_vdw_vol":263.8,"moe2D_vsa_acc":5.683,"moe2D_vsa_don":0,"moe2D_vsa_hyd":160.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":279,"moe2D_weinerPol":21,"moe2D_zagreb":76}
{"Molecule":"adipic","moeGao_Abra_L":4.97,"moeGao_Abra_R":0.264,"moeGao_Abra_acidity":1.206,"moeGao_Abra_basicity":0.737,"moeGao_Abra_pi":0.889,"moe2D_BCUT_PEOE_0":-2.562,"moe2D_BCUT_PEOE_1":-0.5163,"moe2D_BCUT_PEOE_2":0.4477,"moe2D_BCUT_PEOE_3":2.581,"moe2D_BCUT_SLOGP_0":-2.482,"moe2D_BCUT_SLOGP_1":-0.4778,"moe2D_BCUT_SLOGP_2":0.3933,"moe2D_BCUT_SLOGP_3":2.678,"moe2D_BCUT_SMR_0":-2.338,"moe2D_BCUT_SMR_1":-0.304,"moe2D_BCUT_SMR_2":0.5818,"moe2D_BCUT_SMR_3":2.806,"moe2D_GCUT_PEOE_0":-0.7671,"moe2D_GCUT_PEOE_1":-0.4634,"moe2D_GCUT_PEOE_2":0.08855,"moe2D_GCUT_PEOE_3":2.16,"moe2D_GCUT_SLOGP_0":-0.8746,"moe2D_GCUT_SLOGP_1":-0.3684,"moe2D_GCUT_SLOGP_2":0.03782,"moe2D_GCUT_SLOGP_3":2.215,"moe2D_GCUT_SMR_0":-0.5248,"moe2D_GCUT_SMR_1":-0.2361,"moe2D_GCUT_SMR_2":0.2053,"moe2D_GCUT_SMR_3":2.364,"moe2D_Kier1":10,"moe2D_Kier2":5.76,"moe2D_Kier3":9.143,"moe2D_KierA1":8.188,"moe2D_KierA2":4.6,"moe2D_KierA3":7.152,"moe2D_KierFlex":3.767,"moe2D_PEOE_PC.":1.28,"moe2D_PEOE_PC..1":-1.28,"moe2D_PEOE_RPC.":0.2028,"moe2D_PEOE_RPC..1":0.2588,"moe2D_PEOE_VSA.0":51.53,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":20.65,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":15.54,"moe2D_PEOE_VSA_FHYD":0.4264,"moe2D_PEOE_VSA_FNEG":0.3716,"moe2D_PEOE_VSA_FPNEG":0.2639,"moe2D_PEOE_VSA_FPOL":0.5736,"moe2D_PEOE_VSA_FPOS":0.6284,"moe2D_PEOE_VSA_FPPOS":0.3097,"moe2D_PEOE_VSA_HYD":68.93,"moe2D_PEOE_VSA_NEG":60.07,"moe2D_PEOE_VSA_PNEG":42.67,"moe2D_PEOE_VSA_POL":92.73,"moe2D_PEOE_VSA_POS":101.6,"moe2D_PEOE_VSA_PPOS":50.07,"moe2D_Q_PC.":2.44,"moe2D_Q_PC..1":-2.44,"moe2D_Q_RPC.":0.2701,"moe2D_Q_RPC..1":0.2664,"moe2D_Q_VSA_FHYD":0.4264,"moe2D_Q_VSA_FNEG":0.2639,"moe2D_Q_VSA_FPNEG":0.2639,"moe2D_Q_VSA_FPOL":0.5736,"moe2D_Q_VSA_FPOS":0.7361,"moe2D_Q_VSA_FPPOS":0.3097,"moe2D_Q_VSA_HYD":68.93,"moe2D_Q_VSA_NEG":42.67,"moe2D_Q_VSA_PNEG":42.67,"moe2D_Q_VSA_POL":92.73,"moe2D_Q_VSA_POS":119,"moe2D_Q_VSA_PPOS":50.07,"moe2D_SMR":3.374,"moe2D_SMR_VSA0":47.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":50.77,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":15.49,"moe2D_SMR_VSA7":0,"moe2D_SlogP":0.716,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":47.72,"moe2D_SlogP_VSA3":50.77,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":74.6,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.725,"moe2D_VDistMa":6.252,"moe2D_Weight":146.1,"moe2D_a_IC":29.71,"moe2D_a_ICM":1.485,"moe2D_a_acc":4,"moe2D_a_aro":0,"moe2D_a_count":20,"moe2D_a_don":4,"moe2D_a_heavy":10,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":20.44,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.5556,"moe2D_b_ar":0,"moe2D_b_count":19,"moe2D_b_double":2,"moe2D_b_heavy":9,"moe2D_b_rotN":5,"moe2D_b_rotR":0.5556,"moe2D_b_single":17,"moe2D_b_triple":0,"moe2D_balabanJ":2.929,"moe2D_bpol":12.85,"moe2D_chi0":7.983,"moe2D_chi0_C":3.983,"moe2D_chi0v":5.539,"moe2D_chi0v_C":3.828,"moe2D_chi1":4.626,"moe2D_chi1_C":2.316,"moe2D_chi1v":3.063,"moe2D_chi1v_C":2.207,"moeGao_chi2_C":1.284,"moeGao_chi2v_C":1.207,"moeGao_chi3c":0.8165,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1291,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.813,"moeGao_chi3p_C":0.6582,"moeGao_chi3pv":1.031,"moeGao_chi3pv_C":0.6036,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.105,"moeGao_chi4ca_C":0.2887,"moeGao_chi4cav":0.5525,"moeGao_chi4cav_C":0.25,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.5774,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.09129,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8125,"moe2D_diameter":7,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":19.79,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-1.74,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":16.26,"moe2D_kS_ssCH2":1.018,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.36,"moe2D_logS":0.2504,"moe2D_mr":3.496,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":161.7,"moe2D_vdw_vol":179.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":63.23,"moe2D_vsa_other":29.42,"moe2D_vsa_pol":54.27,"moe2D_weinerPath":151,"moe2D_weinerPol":7,"moe2D_zagreb":38}
{"Molecule":"aniline","moeGao_Abra_L":4.048,"moeGao_Abra_R":0.931,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.401,"moeGao_Abra_pi":1.011,"moe2D_BCUT_PEOE_0":-2.219,"moe2D_BCUT_PEOE_1":-0.6025,"moe2D_BCUT_PEOE_2":0.6608,"moe2D_BCUT_PEOE_3":2.122,"moe2D_BCUT_SLOGP_0":-2.325,"moe2D_BCUT_SLOGP_1":-0.4962,"moe2D_BCUT_SLOGP_2":0.7653,"moe2D_BCUT_SLOGP_3":2.302,"moe2D_BCUT_SMR_0":-1.867,"moe2D_BCUT_SMR_1":-0.4631,"moe2D_BCUT_SMR_2":0.8079,"moe2D_BCUT_SMR_3":2.473,"moe2D_GCUT_PEOE_0":-0.8129,"moe2D_GCUT_PEOE_1":-0.3685,"moe2D_GCUT_PEOE_2":0.07366,"moe2D_GCUT_PEOE_3":1.886,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2464,"moe2D_GCUT_SLOGP_2":0.157,"moe2D_GCUT_SLOGP_3":2.058,"moe2D_GCUT_SMR_0":-0.4063,"moe2D_GCUT_SMR_1":-0.2037,"moe2D_GCUT_SMR_2":0.1816,"moe2D_GCUT_SMR_3":2.204,"moe2D_Kier1":5.143,"moe2D_Kier2":2.344,"moe2D_Kier3":1.5,"moe2D_KierA1":3.149,"moe2D_KierA2":1.294,"moe2D_KierA3":0.734,"moe2D_KierFlex":0.5822,"moe2D_PEOE_PC.":0.5727,"moe2D_PEOE_PC..1":-0.5727,"moe2D_PEOE_RPC.":0.2164,"moe2D_PEOE_RPC..1":0.5277,"moe2D_PEOE_VSA.0":6.7,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9412,"moe2D_PEOE_VSA_FNEG":0.6001,"moe2D_PEOE_VSA_FPNEG":0.05876,"moe2D_PEOE_VSA_FPOL":0.05876,"moe2D_PEOE_VSA_FPOS":0.3999,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":106.5,"moe2D_PEOE_VSA_NEG":67.93,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":45.26,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.65,"moe2D_Q_PC..1":-1.65,"moe2D_Q_RPC.":0.2424,"moe2D_Q_RPC..1":0.5455,"moe2D_Q_VSA_FHYD":0.7889,"moe2D_Q_VSA_FNEG":0.6001,"moe2D_Q_VSA_FPNEG":0.05876,"moe2D_Q_VSA_FPOL":0.2111,"moe2D_Q_VSA_FPOS":0.3999,"moe2D_Q_VSA_FPPOS":0.1523,"moe2D_Q_VSA_HYD":89.3,"moe2D_Q_VSA_NEG":67.93,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":45.26,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":3.085,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":121.1,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.269,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":2.757,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.8631,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.761,"moe2D_VDistMa":5.255,"moe2D_Weight":93.13,"moe2D_a_IC":18.14,"moe2D_a_ICM":1.296,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":16.33,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.215,"moe2D_bpol":6.992,"moe2D_chi0":5.113,"moe2D_chi0_C":4.113,"moe2D_chi0v":3.964,"moe2D_chi0v_C":3.387,"moe2D_chi1":3.394,"moe2D_chi1_C":2.816,"moe2D_chi1v":2.199,"moe2D_chi1v_C":1.911,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.077,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.09623,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.894,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":0.7996,"moeGao_chi3pv_C":0.6071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.307,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":0.453,"moeGao_chi4cav_C":0.3419,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1111,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6488,"moe2D_diameter":4,"moe2D_kS_aaCH":9.487,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.8218,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.358,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.234,"moe2D_logS":-1.106,"moe2D_mr":3.029,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":113.2,"moe2D_vdw_vol":143.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":85.74,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":42,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"benzaldehyde","moeGao_Abra_L":4.063,"moeGao_Abra_R":0.795,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.471,"moeGao_Abra_pi":1.048,"moe2D_BCUT_PEOE_0":-2.159,"moe2D_BCUT_PEOE_1":-0.6039,"moe2D_BCUT_PEOE_2":0.659,"moe2D_BCUT_PEOE_3":2.135,"moe2D_BCUT_SLOGP_0":-2.047,"moe2D_BCUT_SLOGP_1":-0.4972,"moe2D_BCUT_SLOGP_2":0.7622,"moe2D_BCUT_SLOGP_3":2.267,"moe2D_BCUT_SMR_0":-1.834,"moe2D_BCUT_SMR_1":-0.4628,"moe2D_BCUT_SMR_2":0.8066,"moe2D_BCUT_SMR_3":2.463,"moe2D_GCUT_PEOE_0":-0.7483,"moe2D_GCUT_PEOE_1":-0.3748,"moe2D_GCUT_PEOE_2":0.07298,"moe2D_GCUT_PEOE_3":1.905,"moe2D_GCUT_SLOGP_0":-0.773,"moe2D_GCUT_SLOGP_1":-0.2498,"moe2D_GCUT_SLOGP_2":0.1558,"moe2D_GCUT_SLOGP_3":2.034,"moe2D_GCUT_SMR_0":-0.4018,"moe2D_GCUT_SMR_1":-0.2042,"moe2D_GCUT_SMR_2":0.1813,"moe2D_GCUT_SMR_3":2.211,"moe2D_Kier1":6.125,"moe2D_Kier2":3.111,"moe2D_Kier3":1.8,"moe2D_KierA1":3.789,"moe2D_KierA2":1.769,"moe2D_KierA3":0.9489,"moe2D_KierFlex":0.838,"moe2D_PEOE_PC.":0.5827,"moe2D_PEOE_PC..1":-0.5827,"moe2D_PEOE_RPC.":0.2578,"moe2D_PEOE_RPC..1":0.5075,"moe2D_PEOE_VSA.0":2.209,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":18.5,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":61.27,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.888,"moe2D_PEOE_VSA_FNEG":0.6178,"moe2D_PEOE_VSA_FPNEG":0.112,"moe2D_PEOE_VSA_FPOL":0.112,"moe2D_PEOE_VSA_FPOS":0.3822,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":107.6,"moe2D_PEOE_VSA_NEG":74.84,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":46.31,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.32,"moe2D_Q_PC..1":-1.32,"moe2D_Q_RPC.":0.3211,"moe2D_Q_RPC..1":0.4318,"moe2D_Q_VSA_FHYD":0.7353,"moe2D_Q_VSA_FNEG":0.6178,"moe2D_Q_VSA_FPNEG":0.112,"moe2D_Q_VSA_FPOL":0.2647,"moe2D_Q_VSA_FPOS":0.3822,"moe2D_Q_VSA_FPPOS":0.1527,"moe2D_Q_VSA_HYD":89.08,"moe2D_Q_VSA_NEG":74.84,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":46.31,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":3.183,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":20.15,"moe2D_SlogP":1.499,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":20.15,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.06,"moe2D_VDistMa":5.642,"moe2D_Weight":106.1,"moe2D_a_IC":18.14,"moe2D_a_ICM":1.296,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":17.12,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.125,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":1,"moe2D_b_heavy":8,"moe2D_b_rotN":1,"moe2D_b_rotR":0.125,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.2,"moe2D_bpol":7.517,"moe2D_chi0":5.82,"moe2D_chi0_C":4.82,"moe2D_chi0v":4.372,"moe2D_chi0v_C":3.964,"moe2D_chi1":3.932,"moe2D_chi1_C":3.225,"moe2D_chi1v":2.435,"moe2D_chi1v_C":2.199,"moeGao_chi2_C":2.504,"moeGao_chi2v_C":1.411,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.09623,"moeGao_chi3cv_C":0.09623,"moeGao_chi3p":2.302,"moeGao_chi3p_C":1.725,"moeGao_chi3pv":0.9357,"moeGao_chi3pv_C":0.7996,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.595,"moeGao_chi4ca_C":1.187,"moeGao_chi4cav":0.5316,"moeGao_chi4cav_C":0.453,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.1504,"moeGao_chi4pcv_C":0.1111,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.687,"moe2D_diameter":5,"moe2D_kS_aaCH":9.098,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.7292,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.01,"moe2D_kS_dsCH":0.8333,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.833,"moe2D_logS":-1.391,"moe2D_mr":3.333,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":121.1,"moe2D_vdw_vol":154.5,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":81.25,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":64,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"benzene","moeGao_Abra_L":2.944,"moeGao_Abra_R":0.656,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.137,"moeGao_Abra_pi":0.577,"moe2D_BCUT_PEOE_0":-2.147,"moe2D_BCUT_PEOE_1":-0.6501,"moe2D_BCUT_PEOE_2":0.6967,"moe2D_BCUT_PEOE_3":2.069,"moe2D_BCUT_SLOGP_0":-1.956,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.259,"moe2D_BCUT_SMR_0":-1.818,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.403,"moe2D_GCUT_PEOE_0":-0.759,"moe2D_GCUT_PEOE_1":-0.3909,"moe2D_GCUT_PEOE_2":0.07893,"moe2D_GCUT_PEOE_3":1.797,"moe2D_GCUT_SLOGP_0":-0.5541,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":1.975,"moe2D_GCUT_SMR_0":-0.4065,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.106,"moe2D_Kier1":4.167,"moe2D_Kier2":2.222,"moe2D_Kier3":1.333,"moe2D_KierA1":2.582,"moe2D_KierA2":1.215,"moe2D_KierA3":0.6394,"moe2D_KierFlex":0.5231,"moe2D_PEOE_PC.":0.3705,"moe2D_PEOE_PC..1":-0.3705,"moe2D_PEOE_RPC.":0.1667,"moe2D_PEOE_RPC..1":0.1667,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":25.59,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":73.53,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7418,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2582,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":99.12,"moe2D_PEOE_VSA_NEG":73.53,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":25.59,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.9,"moe2D_Q_PC..1":-0.9,"moe2D_Q_RPC.":0.1667,"moe2D_Q_RPC..1":0.1667,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.7418,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.2582,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":99.12,"moe2D_Q_VSA_NEG":73.53,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":25.59,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":2.644,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":105.9,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.687,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":105.9,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9183,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.782,"moe2D_Weight":78.11,"moe2D_a_IC":12,"moe2D_a_ICM":1,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":14.56,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.118,"moe2D_bpol":6.559,"moe2D_chi0":4.243,"moe2D_chi0_C":4.243,"moe2D_chi0v":3.464,"moe2D_chi0v_C":3.464,"moe2D_chi1":3,"moe2D_chi1_C":3,"moe2D_chi1v":2,"moe2D_chi1v_C":2,"moeGao_chi2_C":2.121,"moeGao_chi2v_C":1.155,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.5,"moeGao_chi3p_C":1.5,"moeGao_chi3pv":0.6667,"moeGao_chi3pv_C":0.6667,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.061,"moeGao_chi4ca_C":1.061,"moeGao_chi4cav":0.3849,"moeGao_chi4cav_C":0.3849,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6061,"moe2D_diameter":3,"moe2D_kS_aaCH":12,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.906,"moe2D_logS":-1.385,"moe2D_mr":2.75,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0,"moe2D_petitjeanSC":0,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":99.12,"moe2D_vdw_vol":128.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":94.85,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":27,"moe2D_weinerPol":3,"moe2D_zagreb":24}
{"Molecule":"benzonitrile","moeGao_Abra_L":4.163,"moeGao_Abra_R":0.808,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.257,"moeGao_Abra_pi":1.052,"moe2D_BCUT_PEOE_0":-2.131,"moe2D_BCUT_PEOE_1":-0.6465,"moe2D_BCUT_PEOE_2":0.6998,"moe2D_BCUT_PEOE_3":2.098,"moe2D_BCUT_SLOGP_0":-1.97,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.257,"moe2D_BCUT_SMR_0":-1.812,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.421,"moe2D_GCUT_PEOE_0":-0.7452,"moe2D_GCUT_PEOE_1":-0.3862,"moe2D_GCUT_PEOE_2":0.08069,"moe2D_GCUT_PEOE_3":1.855,"moe2D_GCUT_SLOGP_0":-0.5798,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.002,"moe2D_GCUT_SMR_0":-0.4021,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.159,"moe2D_Kier1":6.125,"moe2D_Kier2":3.111,"moe2D_Kier3":1.8,"moe2D_KierA1":3.47,"moe2D_KierA2":1.592,"moe2D_KierA3":0.8403,"moe2D_KierFlex":0.6906,"moe2D_PEOE_PC.":0.4623,"moe2D_PEOE_PC..1":-0.4623,"moe2D_PEOE_RPC.":0.2145,"moe2D_PEOE_RPC..1":0.4128,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":43.83,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":17.74,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6432,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3568,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":122.9,"moe2D_PEOE_VSA_NEG":79.02,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":43.83,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.307,"moe2D_Q_PC..1":-1.307,"moe2D_Q_RPC.":0.3704,"moe2D_Q_RPC..1":0.4262,"moe2D_Q_VSA_FHYD":0.6903,"moe2D_Q_VSA_FNEG":0.6432,"moe2D_Q_VSA_FPNEG":0.1444,"moe2D_Q_VSA_FPOL":0.3097,"moe2D_Q_VSA_FPOS":0.3568,"moe2D_Q_VSA_FPPOS":0.1652,"moe2D_Q_VSA_HYD":84.81,"moe2D_Q_VSA_NEG":79.02,"moe2D_Q_VSA_PNEG":17.74,"moe2D_Q_VSA_POL":38.04,"moe2D_Q_VSA_POS":43.83,"moe2D_Q_VSA_PPOS":20.3,"moe2D_SMR":3.116,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":31.06,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":19.79,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.558,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":47.66,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":23.79,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.06,"moe2D_VDistMa":5.642,"moe2D_Weight":103.1,"moe2D_a_IC":16.84,"moe2D_a_ICM":1.296,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":16.75,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":1,"moe2D_b_rotR":0.125,"moe2D_b_single":6,"moe2D_b_triple":1,"moe2D_balabanJ":2.203,"moe2D_bpol":6.126,"moe2D_chi0":5.82,"moe2D_chi0_C":4.82,"moe2D_chi0v":4.334,"moe2D_chi0v_C":3.887,"moe2D_chi1":3.932,"moe2D_chi1_C":3.225,"moe2D_chi1v":2.384,"moe2D_chi1v_C":2.161,"moeGao_chi2_C":2.504,"moeGao_chi2v_C":1.366,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.08333,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":2.302,"moeGao_chi3p_C":1.725,"moeGao_chi3pv":0.9029,"moeGao_chi3pv_C":0.7738,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.595,"moeGao_chi4ca_C":1.187,"moeGao_chi4cav":0.5127,"moeGao_chi4cav_C":0.4382,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.1335,"moeGao_chi4pcv_C":0.09623,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6683,"moe2D_diameter":5,"moe2D_kS_aaCH":9.137,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.7153,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":8.288,"moe2D_kS_tsC":2.027,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.566,"moe2D_logS":-1.736,"moe2D_mr":3.357,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":122.9,"moe2D_vdw_vol":154.3,"moe2D_vsa_acc":17.74,"moe2D_vsa_don":0,"moe2D_vsa_hyd":81.25,"moe2D_vsa_other":20.3,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":64,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"benzophenone","moeGao_Abra_L":7.187,"moeGao_Abra_R":1.427,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.515,"moeGao_Abra_pi":1.45,"moe2D_BCUT_PEOE_0":-2.217,"moe2D_BCUT_PEOE_1":-0.6479,"moe2D_BCUT_PEOE_2":0.6986,"moe2D_BCUT_PEOE_3":2.224,"moe2D_BCUT_SLOGP_0":-2.138,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.322,"moe2D_BCUT_SMR_0":-1.89,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.553,"moe2D_GCUT_PEOE_0":-0.7523,"moe2D_GCUT_PEOE_1":-0.3881,"moe2D_GCUT_PEOE_2":0.07998,"moe2D_GCUT_PEOE_3":2.206,"moe2D_GCUT_SLOGP_0":-0.7766,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.325,"moe2D_GCUT_SMR_0":-0.4067,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.515,"moe2D_Kier1":10.52,"moe2D_Kier2":5.186,"moe2D_Kier3":2.75,"moe2D_KierA1":6.696,"moe2D_KierA2":3.173,"moe2D_KierA3":1.632,"moe2D_KierFlex":1.518,"moe2D_PEOE_PC.":0.8581,"moe2D_PEOE_PC..1":-0.8581,"moe2D_PEOE_RPC.":0.2251,"moe2D_PEOE_RPC..1":0.3341,"moe2D_PEOE_VSA.0":4.417,"moe2D_PEOE_VSA.1":42.65,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":8.459,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":122.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9292,"moe2D_PEOE_VSA_FNEG":0.7102,"moe2D_PEOE_VSA_FPNEG":0.07079,"moe2D_PEOE_VSA_FPOL":0.07079,"moe2D_PEOE_VSA_FPOS":0.2898,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":178.1,"moe2D_PEOE_VSA_NEG":136.1,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":55.53,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":2.07,"moe2D_Q_PC..1":-2.07,"moe2D_Q_RPC.":0.1921,"moe2D_Q_RPC..1":0.2754,"moe2D_Q_VSA_FHYD":0.8851,"moe2D_Q_VSA_FNEG":0.7102,"moe2D_Q_VSA_FPNEG":0.07079,"moe2D_Q_VSA_FPOL":0.1149,"moe2D_Q_VSA_FPOS":0.2898,"moe2D_Q_VSA_FPPOS":0.04414,"moe2D_Q_VSA_HYD":169.6,"moe2D_Q_VSA_NEG":136.1,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":55.53,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":5.632,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":176.4,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":0,"moe2D_SlogP":2.918,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":30.23,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":176.4,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.6174,"moe2D_VAdjMa":4.907,"moe2D_VDistEq":2.742,"moe2D_VDistMa":7.303,"moe2D_Weight":182.2,"moe2D_a_IC":28.71,"moe2D_a_ICM":1.196,"moe2D_a_acc":1,"moe2D_a_aro":12,"moe2D_a_count":24,"moe2D_a_don":0,"moe2D_a_heavy":14,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":13,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":30.35,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1333,"moe2D_b_ar":12,"moe2D_b_count":25,"moe2D_b_double":1,"moe2D_b_heavy":15,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1333,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":1.841,"moe2D_bpol":11.89,"moe2D_chi0":9.803,"moe2D_chi0_C":8.803,"moe2D_chi0v":7.682,"moe2D_chi0v_C":7.274,"moe2D_chi1":6.877,"moe2D_chi1_C":6.3,"moe2D_chi1v":4.525,"moe2D_chi1v_C":4.321,"moeGao_chi2_C":4.989,"moeGao_chi2v_C":2.857,"moeGao_chi3c":0.5258,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.2177,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":4.787,"moeGao_chi3p_C":3.844,"moeGao_chi3pv":2.072,"moeGao_chi3pv_C":1.836,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.705,"moeGao_chi4ca_C":3.038,"moeGao_chi4cav":1.346,"moeGao_chi4cav_C":1.21,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.542,"moeGao_chi4pc_C":0.6639,"moeGao_chi4pcv":0.4617,"moeGao_chi4pcv_C":0.2758,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6763,"moe2D_diameter":8,"moe2D_kS_aaCH":18.61,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.47,"moe2D_kS_dCH2":0,"moe2D_kS_dO":11.85,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.07519,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.421,"moe2D_logS":-3.458,"moe2D_mr":5.799,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":191.6,"moe2D_vdw_vol":269.5,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":162.5,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":307,"moe2D_weinerPol":18,"moe2D_zagreb":68}
{"Molecule":"benzyl","moeGao_Abra_L":4.125,"moeGao_Abra_R":0.829,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.564,"moeGao_Abra_pi":0.875,"moe2D_BCUT_PEOE_0":-2.299,"moe2D_BCUT_PEOE_1":-0.649,"moe2D_BCUT_PEOE_2":0.6976,"moe2D_BCUT_PEOE_3":2.256,"moe2D_BCUT_SLOGP_0":-2.168,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.6883,"moe2D_BCUT_SLOGP_3":2.403,"moe2D_BCUT_SMR_0":-2.019,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.541,"moe2D_GCUT_PEOE_0":-0.789,"moe2D_GCUT_PEOE_1":-0.3895,"moe2D_GCUT_PEOE_2":0.07945,"moe2D_GCUT_PEOE_3":1.988,"moe2D_GCUT_SLOGP_0":-0.7798,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1386,"moe2D_GCUT_SLOGP_3":2.139,"moe2D_GCUT_SMR_0":-0.4949,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.276,"moe2D_Kier1":6.125,"moe2D_Kier2":3.111,"moe2D_Kier3":1.8,"moe2D_KierA1":4.365,"moe2D_KierA2":2.092,"moe2D_KierA3":1.15,"moe2D_KierFlex":1.142,"moe2D_PEOE_PC.":0.71,"moe2D_PEOE_PC..1":-0.71,"moe2D_PEOE_RPC.":0.2956,"moe2D_PEOE_RPC..1":0.5499,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":44.81,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":2.209,"moe2D_PEOE_VSA.1.1":61.27,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8569,"moe2D_PEOE_VSA_FNEG":0.5638,"moe2D_PEOE_VSA_FPNEG":0.06146,"moe2D_PEOE_VSA_FPOL":0.1431,"moe2D_PEOE_VSA_FPOS":0.4362,"moe2D_PEOE_VSA_FPPOS":0.08169,"moe2D_PEOE_VSA_HYD":108.3,"moe2D_PEOE_VSA_NEG":71.25,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":55.13,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.574,"moe2D_Q_PC..1":-1.574,"moe2D_Q_RPC.":0.2691,"moe2D_Q_RPC..1":0.4322,"moe2D_Q_VSA_FHYD":0.7386,"moe2D_Q_VSA_FNEG":0.5638,"moe2D_Q_VSA_FPNEG":0.06146,"moe2D_Q_VSA_FPOL":0.2614,"moe2D_Q_VSA_FPOS":0.4362,"moe2D_Q_VSA_FPPOS":0.2,"moe2D_Q_VSA_HYD":93.34,"moe2D_Q_VSA_NEG":71.25,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":55.13,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":3.257,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":109.1,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.445,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":20.93,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.06,"moe2D_VDistMa":5.642,"moe2D_Weight":108.1,"moe2D_a_IC":20.35,"moe2D_a_ICM":1.272,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":16,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":18.46,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.125,"moe2D_b_ar":6,"moe2D_b_count":16,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":1,"moe2D_b_rotR":0.125,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.189,"moe2D_bpol":8.746,"moe2D_chi0":5.82,"moe2D_chi0_C":4.82,"moe2D_chi0v":4.541,"moe2D_chi0v_C":4.094,"moe2D_chi1":3.932,"moe2D_chi1_C":3.225,"moe2D_chi1v":2.58,"moe2D_chi1v_C":2.264,"moeGao_chi2_C":2.504,"moeGao_chi2v_C":1.486,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":2.302,"moeGao_chi3p_C":1.725,"moeGao_chi3pv":1.025,"moeGao_chi3pv_C":0.8428,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.595,"moeGao_chi4ca_C":1.187,"moeGao_chi4cav":0.5834,"moeGao_chi4cav_C":0.478,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.1888,"moeGao_chi4pcv_C":0.1361,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6683,"moe2D_diameter":5,"moe2D_kS_aaCH":9.524,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.9653,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.538,"moe2D_kS_ssCH2":0.1397,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.384,"moe2D_logS":-1.156,"moe2D_mr":3.385,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":126.4,"moe2D_vdw_vol":161.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":103.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":64,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"benzyl","moeGao_Abra_L":4.267,"moeGao_Abra_R":0.791,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.126,"moeGao_Abra_pi":0.71,"moe2D_BCUT_PEOE_0":-2.259,"moe2D_BCUT_PEOE_1":-0.5628,"moe2D_BCUT_PEOE_2":0.6209,"moe2D_BCUT_PEOE_3":2.234,"moe2D_BCUT_SLOGP_0":-2.065,"moe2D_BCUT_SLOGP_1":-0.4578,"moe2D_BCUT_SLOGP_2":0.7259,"moe2D_BCUT_SLOGP_3":2.443,"moe2D_BCUT_SMR_0":-1.953,"moe2D_BCUT_SMR_1":-0.4274,"moe2D_BCUT_SMR_2":0.7654,"moe2D_BCUT_SMR_3":2.546,"moe2D_GCUT_PEOE_0":-0.7551,"moe2D_GCUT_PEOE_1":-0.3573,"moe2D_GCUT_PEOE_2":0.06574,"moe2D_GCUT_PEOE_3":1.957,"moe2D_GCUT_SLOGP_0":-0.5592,"moe2D_GCUT_SLOGP_1":-0.2353,"moe2D_GCUT_SLOGP_2":0.2121,"moe2D_GCUT_SLOGP_3":2.153,"moe2D_GCUT_SMR_0":-0.4403,"moe2D_GCUT_SMR_1":-0.1921,"moe2D_GCUT_SMR_2":0.2163,"moe2D_GCUT_SMR_3":2.267,"moe2D_Kier1":6.125,"moe2D_Kier2":3.111,"moe2D_Kier3":1.8,"moe2D_KierA1":5.345,"moe2D_KierA2":2.655,"moe2D_KierA3":1.506,"moe2D_KierFlex":1.774,"moe2D_PEOE_PC.":0.4527,"moe2D_PEOE_PC..1":-0.4527,"moe2D_PEOE_RPC.":0.1371,"moe2D_PEOE_RPC..1":0.2659,"moe2D_PEOE_VSA.0":19.54,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":2.209,"moe2D_PEOE_VSA.1.1":61.27,"moe2D_PEOE_VSA.2.1":29.58,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6949,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3051,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":133.9,"moe2D_PEOE_VSA_NEG":93.07,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":40.87,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.183,"moe2D_Q_PC..1":-1.183,"moe2D_Q_RPC.":0.3663,"moe2D_Q_RPC..1":0.245,"moe2D_Q_VSA_FHYD":0.6969,"moe2D_Q_VSA_FNEG":0.6949,"moe2D_Q_VSA_FPNEG":0.2209,"moe2D_Q_VSA_FPOL":0.3031,"moe2D_Q_VSA_FPOS":0.3051,"moe2D_Q_VSA_FPPOS":0.08222,"moe2D_Q_VSA_HYD":93.34,"moe2D_Q_VSA_NEG":93.07,"moe2D_Q_VSA_PNEG":29.58,"moe2D_Q_VSA_POL":40.59,"moe2D_Q_VSA_POS":40.87,"moe2D_Q_VSA_PPOS":11.01,"moe2D_SMR":3.62,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":107.4,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":39.15,"moe2D_SlogP":2.692,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":58.33,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.06,"moe2D_VDistMa":5.642,"moe2D_Weight":126.6,"moe2D_a_IC":19.3,"moe2D_a_ICM":1.287,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":15,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":19.17,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.125,"moe2D_b_ar":6,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":1,"moe2D_b_rotR":0.125,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":2.189,"moe2D_bpol":8.072,"moe2D_chi0":5.82,"moe2D_chi0_C":4.82,"moe2D_chi0v":5.228,"moe2D_chi0v_C":4.094,"moe2D_chi1":3.932,"moe2D_chi1_C":3.225,"moe2D_chi1v":3.066,"moe2D_chi1v_C":2.264,"moeGao_chi2_C":2.504,"moeGao_chi2v_C":1.486,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":2.302,"moeGao_chi3p_C":1.725,"moeGao_chi3pv":1.306,"moeGao_chi3pv_C":0.8428,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.595,"moeGao_chi4ca_C":1.187,"moeGao_chi4cav":0.7453,"moeGao_chi4cav_C":0.478,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.2697,"moeGao_chi4pcv_C":0.1361,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7479,"moe2D_diameter":5,"moe2D_kS_aaCH":9.964,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.175,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.527,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.6119,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.632,"moe2D_logS":-2.124,"moe2D_mr":3.699,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":133.9,"moe2D_vdw_vol":169.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":129,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":64,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"benzylamine","moeGao_Abra_L":4.379,"moeGao_Abra_R":0.853,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.607,"moeGao_Abra_pi":0.803,"moe2D_BCUT_PEOE_0":-2.367,"moe2D_BCUT_PEOE_1":-0.6046,"moe2D_BCUT_PEOE_2":0.6585,"moe2D_BCUT_PEOE_3":2.278,"moe2D_BCUT_SLOGP_0":-2.478,"moe2D_BCUT_SLOGP_1":-0.4973,"moe2D_BCUT_SLOGP_2":0.7633,"moe2D_BCUT_SLOGP_3":2.395,"moe2D_BCUT_SMR_0":-2.065,"moe2D_BCUT_SMR_1":-0.4632,"moe2D_BCUT_SMR_2":0.807,"moe2D_BCUT_SMR_3":2.582,"moe2D_GCUT_PEOE_0":-0.8319,"moe2D_GCUT_PEOE_1":-0.3719,"moe2D_GCUT_PEOE_2":0.07251,"moe2D_GCUT_PEOE_3":2.02,"moe2D_GCUT_SLOGP_0":-1.337,"moe2D_GCUT_SLOGP_1":-0.2495,"moe2D_GCUT_SLOGP_2":0.1557,"moe2D_GCUT_SLOGP_3":2.16,"moe2D_GCUT_SMR_0":-0.4887,"moe2D_GCUT_SMR_1":-0.2041,"moe2D_GCUT_SMR_2":0.1812,"moe2D_GCUT_SMR_3":2.315,"moe2D_Kier1":6.125,"moe2D_Kier2":3.111,"moe2D_Kier3":1.8,"moe2D_KierA1":4.365,"moe2D_KierA2":2.092,"moe2D_KierA3":1.15,"moe2D_KierFlex":1.142,"moe2D_PEOE_PC.":0.6593,"moe2D_PEOE_PC..1":-0.6593,"moe2D_PEOE_RPC.":0.1798,"moe2D_PEOE_RPC..1":0.4946,"moe2D_PEOE_VSA.0":21.72,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":2.209,"moe2D_PEOE_VSA.1.1":61.27,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.949,"moe2D_PEOE_VSA_FNEG":0.5377,"moe2D_PEOE_VSA_FPNEG":0.051,"moe2D_PEOE_VSA_FPOL":0.051,"moe2D_PEOE_VSA_FPOS":0.4623,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":123.8,"moe2D_PEOE_VSA_NEG":70.13,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":60.29,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.883,"moe2D_Q_PC..1":-1.883,"moe2D_Q_RPC.":0.2195,"moe2D_Q_RPC..1":0.5256,"moe2D_Q_VSA_FHYD":0.7157,"moe2D_Q_VSA_FNEG":0.5377,"moe2D_Q_VSA_FPNEG":0.051,"moe2D_Q_VSA_FPOL":0.2843,"moe2D_Q_VSA_FPOS":0.4623,"moe2D_Q_VSA_FPPOS":0.2333,"moe2D_Q_VSA_HYD":93.34,"moe2D_Q_VSA_NEG":70.13,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":60.29,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":3.454,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":106.7,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.412,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":18.44,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.06,"moe2D_VDistMa":5.642,"moe2D_Weight":107.2,"moe2D_a_IC":21.31,"moe2D_a_ICM":1.253,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":17,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":9,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":19.42,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.125,"moe2D_b_ar":6,"moe2D_b_count":17,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":1,"moe2D_b_rotR":0.125,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.189,"moe2D_bpol":9.179,"moe2D_chi0":5.82,"moe2D_chi0_C":4.82,"moe2D_chi0v":4.671,"moe2D_chi0v_C":4.094,"moe2D_chi1":3.932,"moe2D_chi1_C":3.225,"moe2D_chi1v":2.672,"moe2D_chi1v_C":2.264,"moeGao_chi2_C":2.504,"moeGao_chi2v_C":1.486,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":2.302,"moeGao_chi3p_C":1.725,"moeGao_chi3pv":1.079,"moeGao_chi3pv_C":0.8428,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.595,"moeGao_chi4ca_C":1.187,"moeGao_chi4cav":0.6141,"moeGao_chi4cav_C":0.478,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.2041,"moeGao_chi4pcv_C":0.1361,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6379,"moe2D_diameter":5,"moe2D_kS_aaCH":9.99,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.187,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.35,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.6397,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.162,"moe2D_logS":-1.05,"moe2D_mr":3.505,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":130.4,"moe2D_vdw_vol":168,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":101.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":64,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"biphenyl","moeGao_Abra_L":4.82,"moeGao_Abra_R":0.928,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.181,"moeGao_Abra_pi":0.777,"moe2D_BCUT_PEOE_0":-2.246,"moe2D_BCUT_PEOE_1":-0.6485,"moe2D_BCUT_PEOE_2":0.6981,"moe2D_BCUT_PEOE_3":2.182,"moe2D_BCUT_SLOGP_0":-2.031,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.402,"moe2D_BCUT_SMR_0":-1.896,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.54,"moe2D_GCUT_PEOE_0":-0.7541,"moe2D_GCUT_PEOE_1":-0.3888,"moe2D_GCUT_PEOE_2":0.07973,"moe2D_GCUT_PEOE_3":2.177,"moe2D_GCUT_SLOGP_0":-0.5502,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.376,"moe2D_GCUT_SMR_0":-0.4059,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.505,"moe2D_Kier1":8.592,"moe2D_Kier2":4.297,"moe2D_Kier3":2.25,"moe2D_KierA1":5.505,"moe2D_KierA2":2.627,"moe2D_KierA3":1.325,"moe2D_KierFlex":1.205,"moe2D_PEOE_PC.":0.6201,"moe2D_PEOE_PC..1":-0.6201,"moe2D_PEOE_RPC.":0.1006,"moe2D_PEOE_RPC..1":0.09954,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":42.65,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":4.417,"moe2D_PEOE_VSA.1.1":122.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7485,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2515,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":169.6,"moe2D_PEOE_VSA_NEG":127,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":42.65,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.5,"moe2D_Q_PC..1":-1.5,"moe2D_Q_RPC.":0.1,"moe2D_Q_RPC..1":0.1,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.7225,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.2775,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":169.6,"moe2D_Q_VSA_NEG":122.5,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":47.07,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":5.188,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":6.371,"moe2D_SMR_VSA5":176.4,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":3.354,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":182.8,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":0,"moe2D_VAdjEq":0.6813,"moe2D_VAdjMa":4.7,"moe2D_VDistEq":2.55,"moe2D_VDistMa":6.846,"moe2D_Weight":154.2,"moe2D_a_IC":21.87,"moe2D_a_ICM":0.994,"moe2D_a_acc":0,"moe2D_a_aro":12,"moe2D_a_count":22,"moe2D_a_don":0,"moe2D_a_heavy":12,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":27.79,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.07692,"moe2D_b_ar":12,"moe2D_b_count":23,"moe2D_b_double":0,"moe2D_b_heavy":13,"moe2D_b_rotN":1,"moe2D_b_rotR":0.07692,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":1.83,"moe2D_bpol":10.93,"moe2D_chi0":8.226,"moe2D_chi0_C":8.226,"moe2D_chi0v":6.774,"moe2D_chi0v_C":6.774,"moe2D_chi1":5.966,"moe2D_chi1_C":5.966,"moe2D_chi1v":4.071,"moe2D_chi1v_C":4.071,"moeGao_chi2_C":4.796,"moeGao_chi2v_C":2.732,"moeGao_chi3c":0.3333,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.1667,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":3.966,"moeGao_chi3p_C":3.966,"moeGao_chi3pv":1.881,"moeGao_chi3pv_C":1.881,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.211,"moeGao_chi4ca_C":3.211,"moeGao_chi4cav":1.261,"moeGao_chi4cav_C":1.261,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.9428,"moeGao_chi4pc_C":0.9428,"moeGao_chi4pcv":0.3849,"moeGao_chi4pcv_C":0.3849,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6324,"moe2D_diameter":7,"moe2D_kS_aaCH":20.78,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":2.552,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.866,"moe2D_logS":-3.811,"moe2D_mr":5.211,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":169.6,"moe2D_vdw_vol":243.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":162.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":198,"moe2D_weinerPol":14,"moe2D_zagreb":58}
{"Molecule":"bromobenzene","moeGao_Abra_L":4.196,"moeGao_Abra_R":0.964,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.115,"moeGao_Abra_pi":0.789,"moe2D_BCUT_PEOE_0":-2.136,"moe2D_BCUT_PEOE_1":-0.6541,"moe2D_BCUT_PEOE_2":0.6874,"moe2D_BCUT_PEOE_3":2.081,"moe2D_BCUT_SLOGP_0":-1.936,"moe2D_BCUT_SLOGP_1":-0.4818,"moe2D_BCUT_SLOGP_2":0.8843,"moe2D_BCUT_SLOGP_3":2.302,"moe2D_BCUT_SMR_0":-1.801,"moe2D_BCUT_SMR_1":-0.4464,"moe2D_BCUT_SMR_2":0.9386,"moe2D_BCUT_SMR_3":2.435,"moe2D_GCUT_PEOE_0":-0.7479,"moe2D_GCUT_PEOE_1":-0.3929,"moe2D_GCUT_PEOE_2":0.0705,"moe2D_GCUT_PEOE_3":1.806,"moe2D_GCUT_SLOGP_0":-0.5472,"moe2D_GCUT_SLOGP_1":-0.2364,"moe2D_GCUT_SLOGP_2":0.2688,"moe2D_GCUT_SLOGP_3":2.028,"moe2D_GCUT_SMR_0":-0.4028,"moe2D_GCUT_SMR_1":-0.1931,"moe2D_GCUT_SMR_2":0.313,"moe2D_GCUT_SMR_3":2.15,"moe2D_Kier1":5.143,"moe2D_Kier2":2.344,"moe2D_Kier3":1.5,"moe2D_KierA1":5.141,"moe2D_KierA2":2.343,"moe2D_KierA3":1.499,"moe2D_KierFlex":1.721,"moe2D_PEOE_PC.":0.3289,"moe2D_PEOE_PC..1":-0.3289,"moe2D_PEOE_RPC.":0.1911,"moe2D_PEOE_RPC..1":0.1876,"moe2D_PEOE_VSA.0":2.252,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":80.39,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8165,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1835,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":128.5,"moe2D_PEOE_VSA_NEG":104.9,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":23.58,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.861,"moe2D_Q_PC..1":-0.861,"moe2D_Q_RPC.":0.1742,"moe2D_Q_RPC..1":0.1742,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.8165,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.1835,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":128.5,"moe2D_Q_VSA_NEG":104.9,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":23.58,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.414,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":3.055,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":45.95,"moe2D_SlogP":2.449,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":3.055,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":45.95,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8631,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.761,"moe2D_VDistMa":5.255,"moe2D_Weight":157,"moe2D_a_IC":15.9,"moe2D_a_ICM":1.325,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":7,"moe2D_a_nBr":1,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":16.94,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.215,"moe2D_bpol":6.756,"moe2D_chi0":5.113,"moe2D_chi0_C":4.113,"moe2D_chi0v":5.351,"moe2D_chi0v_C":3.387,"moe2D_chi1":3.394,"moe2D_chi1_C":2.816,"moe2D_chi1v":2.893,"moe2D_chi1v_C":1.911,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.077,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.3273,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.894,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":1.262,"moeGao_chi3pv_C":0.6071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.307,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":0.7199,"moeGao_chi4cav_C":0.3419,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.378,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9946,"moe2D_diameter":4,"moe2D_kS_aaCH":9.971,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.134,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":3.311,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.704,"moe2D_logS":-2.475,"moe2D_mr":3.475,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":128.5,"moe2D_vdw_vol":157.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":124.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":42,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"butanal(butyraldehyde)","moeGao_Abra_L":2.413,"moeGao_Abra_R":0.171,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.423,"moeGao_Abra_pi":0.622,"moe2D_BCUT_PEOE_0":-2.49,"moe2D_BCUT_PEOE_1":-0.1571,"moe2D_BCUT_PEOE_2":0.03386,"moe2D_BCUT_PEOE_3":2.468,"moe2D_BCUT_SLOGP_0":-2.376,"moe2D_BCUT_SLOGP_1":-0.06208,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.594,"moe2D_BCUT_SMR_0":-2.254,"moe2D_BCUT_SMR_1":0.03607,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.709,"moe2D_GCUT_PEOE_0":-0.7761,"moe2D_GCUT_PEOE_1":-0.2221,"moe2D_GCUT_PEOE_2":-0.1261,"moe2D_GCUT_PEOE_3":1.88,"moe2D_GCUT_SLOGP_0":-0.808,"moe2D_GCUT_SLOGP_1":-0.1834,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.976,"moe2D_GCUT_SMR_0":-0.5224,"moe2D_GCUT_SMR_1":-0.09974,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.095,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":4.021,"moe2D_KierA2":2.997,"moe2D_KierA3":2.673,"moe2D_KierFlex":2.41,"moe2D_PEOE_PC.":0.4154,"moe2D_PEOE_PC..1":-0.4154,"moe2D_PEOE_RPC.":0.2896,"moe2D_PEOE_RPC..1":0.7246,"moe2D_PEOE_VSA.0":38.56,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":22.77,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":13.57,"moe2D_PEOE_VSA_FHYD":0.8674,"moe2D_PEOE_VSA_FNEG":0.4008,"moe2D_PEOE_VSA_FPNEG":0.1326,"moe2D_PEOE_VSA_FPOL":0.1326,"moe2D_PEOE_VSA_FPOS":0.5992,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":88.78,"moe2D_PEOE_VSA_NEG":41.02,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":61.33,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.7877,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.6866,"moe2D_Q_VSA_FNEG":0.1326,"moe2D_Q_VSA_FPNEG":0.1326,"moe2D_Q_VSA_FPOL":0.3134,"moe2D_Q_VSA_FPOS":0.8674,"moe2D_Q_VSA_FPPOS":0.1808,"moe2D_Q_VSA_HYD":70.27,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":88.78,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":2.097,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":53.47,"moe2D_SlogP":0.9854,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":44.01,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":72.11,"moe2D_a_IC":16.11,"moe2D_a_ICM":1.239,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":13,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":13.18,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":12,"moe2D_b_double":1,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.245,"moe2D_bpol":9.704,"moe2D_chi0":4.121,"moe2D_chi0_C":3.121,"moe2D_chi0v":3.4,"moe2D_chi0v_C":2.992,"moe2D_chi1":2.414,"moe2D_chi1_C":1.707,"moe2D_chi1v":1.851,"moe2D_chi1v_C":1.615,"moeGao_chi2_C":0.8536,"moeGao_chi2v_C":0.7887,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0.3536,"moeGao_chi3pv":0.4065,"moeGao_chi3pv_C":0.2887,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.1179,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6393,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.405,"moe2D_kS_dsCH":0.9306,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.981,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.684,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.088,"moe2D_logS":-0.3474,"moe2D_mr":2.228,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":102.3,"moe2D_vdw_vol":112.8,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":61.03,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"camphor","moeGao_Abra_L":5.094,"moeGao_Abra_R":0.538,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.511,"moeGao_Abra_pi":0.701,"moe2D_BCUT_PEOE_0":-2.678,"moe2D_BCUT_PEOE_1":-0.1066,"moe2D_BCUT_PEOE_2":0.09659,"moe2D_BCUT_PEOE_3":2.937,"moe2D_BCUT_SLOGP_0":-2.611,"moe2D_BCUT_SLOGP_1":-0.01421,"moe2D_BCUT_SLOGP_2":0.1676,"moe2D_BCUT_SLOGP_3":3,"moe2D_BCUT_SMR_0":-2.435,"moe2D_BCUT_SMR_1":0.01418,"moe2D_BCUT_SMR_2":0.2048,"moe2D_BCUT_SMR_3":3.188,"moe2D_GCUT_PEOE_0":-0.8008,"moe2D_GCUT_PEOE_1":-0.2171,"moe2D_GCUT_PEOE_2":-0.1285,"moe2D_GCUT_PEOE_3":2.783,"moe2D_GCUT_SLOGP_0":-0.8374,"moe2D_GCUT_SLOGP_1":-0.1568,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.856,"moe2D_GCUT_SMR_0":-0.5441,"moe2D_GCUT_SMR_1":-0.105,"moe2D_GCUT_SMR_2":-0.02268,"moe2D_GCUT_SMR_3":3.007,"moe2D_Kier1":7.639,"moe2D_Kier2":1.837,"moe2D_Kier3":0.666,"moe2D_KierA1":6.991,"moe2D_KierA2":1.665,"moe2D_KierA3":0.5985,"moe2D_KierFlex":1.058,"moe2D_PEOE_PC.":0.6029,"moe2D_PEOE_PC..1":-0.6029,"moe2D_PEOE_RPC.":0.2322,"moe2D_PEOE_RPC..1":0.4923,"moe2D_PEOE_VSA.0":76.95,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":56.24,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9214,"moe2D_PEOE_VSA_FNEG":0.5052,"moe2D_PEOE_VSA_FPNEG":0.07859,"moe2D_PEOE_VSA_FPOL":0.07859,"moe2D_PEOE_VSA_FPOS":0.4948,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":159.1,"moe2D_PEOE_VSA_NEG":87.21,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":85.41,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8724,"moe2D_Q_VSA_FNEG":0.07859,"moe2D_Q_VSA_FPNEG":0.07859,"moe2D_Q_VSA_FPOL":0.1276,"moe2D_Q_VSA_FPOS":0.9214,"moe2D_Q_VSA_FPPOS":0.049,"moe2D_Q_VSA_HYD":150.6,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":159.1,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":4.424,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":4.411,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":56.61,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":2.402,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":4.411,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":56.61,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.7186,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":1.768,"moe2D_VDistMa":6.671,"moe2D_Weight":152.2,"moe2D_a_IC":31.16,"moe2D_a_ICM":1.154,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":27,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":16,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":29.07,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":28,"moe2D_b_double":1,"moe2D_b_heavy":12,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":27,"moe2D_b_triple":0,"moe2D_balabanJ":2.405,"moe2D_bpol":18.45,"moe2D_chi0":8.276,"moe2D_chi0_C":7.276,"moe2D_chi0v":7.607,"moe2D_chi0v_C":7.199,"moe2D_chi1":4.983,"moe2D_chi1_C":4.406,"moe2D_chi1v":4.516,"moe2D_chi1v_C":4.312,"moeGao_chi2_C":4.815,"moeGao_chi2v_C":4.67,"moeGao_chi3c":1.803,"moeGao_chi3c_C":1.599,"moeGao_chi3cv":1.611,"moeGao_chi3cv_C":1.539,"moeGao_chi3p":5.23,"moeGao_chi3p_C":4.358,"moeGao_chi3pv":4.483,"moeGao_chi3pv_C":4.174,"moeGao_chi4c":0.2464,"moeGao_chi4c_C":0.2464,"moeGao_chi4ca":3.08,"moeGao_chi4ca_C":2.279,"moeGao_chi4cav":2.409,"moeGao_chi4cav_C":2.126,"moeGao_chi4cv":0.2327,"moeGao_chi4cv_C":0.2327,"moeGao_chi4pc":5.363,"moeGao_chi4pc_C":4.344,"moeGao_chi4pcv":4.495,"moeGao_chi4pcv_C":4.134,"moe2D_chiral":2,"moe2D_chiral_u":2,"moe2D_density":0.6574,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":11.57,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.5127,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.674,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":3.252,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.6806,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0.3073,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.9,"moe2D_logS":-2.085,"moe2D_mr":4.463,"moe2D_opr_brigid":8,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":172.6,"moe2D_vdw_vol":231.6,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":137.9,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":123,"moe2D_weinerPol":19,"moe2D_zagreb":66}
{"Molecule":"carbontetrachloride","moeGao_Abra_L":3.138,"moeGao_Abra_R":0.51,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.094,"moeGao_Abra_pi":0.626,"moe2D_BCUT_PEOE_0":-1.907,"moe2D_BCUT_PEOE_1":-0.06656,"moe2D_BCUT_PEOE_2":-0.06656,"moe2D_BCUT_PEOE_3":2.107,"moe2D_BCUT_SLOGP_0":-1.562,"moe2D_BCUT_SLOGP_1":0.6895,"moe2D_BCUT_SLOGP_2":0.6895,"moe2D_BCUT_SLOGP_3":2.466,"moe2D_BCUT_SMR_0":-1.579,"moe2D_BCUT_SMR_1":0.5853,"moe2D_BCUT_SMR_2":0.5853,"moe2D_BCUT_SMR_3":2.434,"moe2D_GCUT_PEOE_0":-0.5521,"moe2D_GCUT_PEOE_1":-0.2266,"moe2D_GCUT_PEOE_2":-0.2266,"moe2D_GCUT_PEOE_3":1.232,"moe2D_GCUT_SLOGP_0":-0.3168,"moe2D_GCUT_SLOGP_1":0.5295,"moe2D_GCUT_SLOGP_2":0.5295,"moe2D_GCUT_SLOGP_3":1.701,"moe2D_GCUT_SMR_0":-0.3066,"moe2D_GCUT_SMR_1":0.4253,"moe2D_GCUT_SMR_2":0.4253,"moe2D_GCUT_SMR_3":1.641,"moe2D_Kier1":5,"moe2D_Kier2":1,"moe2D_Kier3":0,"moe2D_KierA1":14.46,"moe2D_KierA2":3.764,"moe2D_KierA3":0,"moe2D_KierFlex":10.89,"moe2D_PEOE_PC.":0.2662,"moe2D_PEOE_PC..1":-0.2662,"moe2D_PEOE_RPC.":1,"moe2D_PEOE_RPC..1":0.25,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":118.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":1,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":118.3,"moe2D_PEOE_VSA_NEG":118.3,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":0,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.16,"moe2D_Q_PC..1":-1.16,"moe2D_Q_RPC.":1,"moe2D_Q_RPC..1":0.25,"moe2D_Q_VSA_FHYD":0,"moe2D_Q_VSA_FNEG":1,"moe2D_Q_VSA_FPNEG":1,"moe2D_Q_VSA_FPOL":1,"moe2D_Q_VSA_FPOS":0,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":0,"moe2D_Q_VSA_NEG":118.3,"moe2D_Q_VSA_PNEG":118.3,"moe2D_Q_VSA_POL":118.3,"moe2D_Q_VSA_POS":0,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":2.611,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":156.6,"moe2D_SlogP":2.973,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":156.6,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":0.971,"moe2D_VDistMa":4.25,"moe2D_Weight":153.8,"moe2D_a_IC":3.61,"moe2D_a_ICM":0.7219,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":5,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":1,"moe2D_a_nCl":4,"moe2D_a_nF":0,"moe2D_a_nH":0,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":10.48,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":4,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":4,"moe2D_b_triple":0,"moe2D_balabanJ":3.024,"moe2D_bpol":1.68,"moe2D_chi0":4.5,"moe2D_chi0_C":0.5,"moe2D_chi0v":5.036,"moe2D_chi0v_C":0.5,"moe2D_chi1":2,"moe2D_chi1_C":0,"moe2D_chi1v":2.268,"moe2D_chi1v_C":0,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":2,"moeGao_chi3c_C":0,"moeGao_chi3cv":2.916,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0.5,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.8265,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.506,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":19.31,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-1.611,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.421,"moe2D_logS":-2.82,"moe2D_mr":2.355,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":118.3,"moe2D_vdw_vol":102.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":118.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":16,"moe2D_weinerPol":0,"moe2D_zagreb":20}
{"Molecule":"chlorobenzene","moeGao_Abra_L":3.768,"moeGao_Abra_R":0.791,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.126,"moeGao_Abra_pi":0.71,"moe2D_BCUT_PEOE_0":-2.133,"moe2D_BCUT_PEOE_1":-0.6556,"moe2D_BCUT_PEOE_2":0.6853,"moe2D_BCUT_PEOE_3":2.085,"moe2D_BCUT_SLOGP_0":-1.933,"moe2D_BCUT_SLOGP_1":-0.4844,"moe2D_BCUT_SLOGP_2":0.8662,"moe2D_BCUT_SLOGP_3":2.299,"moe2D_BCUT_SMR_0":-1.802,"moe2D_BCUT_SMR_1":-0.4539,"moe2D_BCUT_SMR_2":0.9013,"moe2D_BCUT_SMR_3":2.424,"moe2D_GCUT_PEOE_0":-0.7458,"moe2D_GCUT_PEOE_1":-0.3944,"moe2D_GCUT_PEOE_2":0.07003,"moe2D_GCUT_PEOE_3":1.809,"moe2D_GCUT_SLOGP_0":-0.5452,"moe2D_GCUT_SLOGP_1":-0.2355,"moe2D_GCUT_SLOGP_2":0.2504,"moe2D_GCUT_SLOGP_3":2.02,"moe2D_GCUT_SMR_0":-0.4014,"moe2D_GCUT_SMR_1":-0.1936,"moe2D_GCUT_SMR_2":0.2663,"moe2D_GCUT_SMR_3":2.132,"moe2D_Kier1":5.143,"moe2D_Kier2":2.344,"moe2D_Kier3":1.5,"moe2D_KierA1":4.389,"moe2D_KierA2":1.939,"moe2D_KierA3":1.198,"moe2D_KierFlex":1.216,"moe2D_PEOE_PC.":0.3528,"moe2D_PEOE_PC..1":-0.3528,"moe2D_PEOE_RPC.":0.1792,"moe2D_PEOE_RPC..1":0.2368,"moe2D_PEOE_VSA.0":4.52,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":66.35,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7785,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2215,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":116.7,"moe2D_PEOE_VSA_NEG":90.86,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":25.85,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.927,"moe2D_Q_PC..1":-0.927,"moe2D_Q_RPC.":0.1909,"moe2D_Q_RPC..1":0.1909,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.7785,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.2215,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":116.7,"moe2D_Q_VSA_NEG":90.86,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":25.85,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.145,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.501,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":39.15,"moe2D_SlogP":2.34,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":39.15,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8631,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.761,"moe2D_VDistMa":5.255,"moe2D_Weight":112.6,"moe2D_a_IC":15.9,"moe2D_a_ICM":1.325,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":16.07,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.215,"moe2D_bpol":5.886,"moe2D_chi0":5.113,"moe2D_chi0_C":4.113,"moe2D_chi0v":4.521,"moe2D_chi0v_C":3.387,"moe2D_chi1":3.394,"moe2D_chi1_C":2.816,"moe2D_chi1v":2.478,"moe2D_chi1v_C":1.911,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.077,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.189,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.894,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":0.9851,"moeGao_chi3pv_C":0.6071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.307,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":0.5601,"moeGao_chi4cav_C":0.3419,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2182,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7772,"moe2D_diameter":4,"moe2D_kS_aaCH":9.444,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.794,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.54,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.498,"moe2D_logS":-2.119,"moe2D_mr":3.226,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":116.7,"moe2D_vdw_vol":144.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":113.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":42,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"chloroform","moeGao_Abra_L":2.525,"moeGao_Abra_R":0.389,"moeGao_Abra_acidity":0.099,"moeGao_Abra_basicity":0.068,"moeGao_Abra_pi":0.509,"moe2D_BCUT_PEOE_0":-1.937,"moe2D_BCUT_PEOE_1":-0.08703,"moe2D_BCUT_PEOE_2":-0.00311,"moe2D_BCUT_PEOE_3":2.072,"moe2D_BCUT_SLOGP_0":-1.64,"moe2D_BCUT_SLOGP_1":0.4058,"moe2D_BCUT_SLOGP_2":0.6895,"moe2D_BCUT_SLOGP_3":2.404,"moe2D_BCUT_SMR_0":-1.646,"moe2D_BCUT_SMR_1":0.3458,"moe2D_BCUT_SMR_2":0.5853,"moe2D_BCUT_SMR_3":2.38,"moe2D_GCUT_PEOE_0":-0.595,"moe2D_GCUT_PEOE_1":-0.247,"moe2D_GCUT_PEOE_2":-0.1615,"moe2D_GCUT_PEOE_3":1.208,"moe2D_GCUT_SLOGP_0":-0.393,"moe2D_GCUT_SLOGP_1":0.2521,"moe2D_GCUT_SLOGP_2":0.5295,"moe2D_GCUT_SLOGP_3":1.627,"moe2D_GCUT_SMR_0":-0.3762,"moe2D_GCUT_SMR_1":0.1943,"moe2D_GCUT_SMR_2":0.4253,"moe2D_GCUT_SMR_3":1.578,"moe2D_Kier1":4,"moe2D_Kier2":1.333,"moe2D_Kier3":0,"moe2D_KierA1":11.38,"moe2D_KierA2":5.504,"moe2D_KierA3":0,"moe2D_KierFlex":15.65,"moe2D_PEOE_PC.":0.2611,"moe2D_PEOE_PC..1":-0.2611,"moe2D_PEOE_RPC.":0.6914,"moe2D_PEOE_RPC..1":0.3333,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":4.265,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":5.589,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.9001,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.09994,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":98.6,"moe2D_PEOE_VSA_NEG":88.75,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":9.854,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.87,"moe2D_Q_PC..1":-0.87,"moe2D_Q_RPC.":1,"moe2D_Q_RPC..1":0.3333,"moe2D_Q_VSA_FHYD":0.04326,"moe2D_Q_VSA_FNEG":0.9001,"moe2D_Q_VSA_FPNEG":0.9001,"moe2D_Q_VSA_FPOL":0.9567,"moe2D_Q_VSA_FPOS":0.09994,"moe2D_Q_VSA_FPPOS":0.05668,"moe2D_Q_VSA_HYD":4.265,"moe2D_Q_VSA_NEG":88.75,"moe2D_Q_VSA_PNEG":88.75,"moe2D_Q_VSA_POL":94.33,"moe2D_Q_VSA_POS":9.854,"moe2D_Q_VSA_PPOS":5.589,"moe2D_SMR":2.131,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.356,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":2.406,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":5.356,"moe2D_SlogP_VSA9":117.4,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1,"moe2D_VDistMa":3.503,"moe2D_Weight":119.4,"moe2D_a_IC":6.855,"moe2D_a_ICM":1.371,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":5,"moe2D_a_don":0,"moe2D_a_heavy":4,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":1,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":1,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":8.967,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":4,"moe2D_b_double":0,"moe2D_b_heavy":3,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":4,"moe2D_b_triple":0,"moe2D_balabanJ":2.324,"moe2D_bpol":2.353,"moe2D_chi0":3.577,"moe2D_chi0_C":0.5774,"moe2D_chi0v":3.979,"moe2D_chi0v_C":0.5774,"moe2D_chi1":1.732,"moe2D_chi1_C":0,"moe2D_chi1v":1.964,"moe2D_chi1v_C":0,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.8417,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.385,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":14.42,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-0.75,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.738,"moe2D_logS":-1.323,"moe2D_mr":2.017,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":98.6,"moe2D_vdw_vol":86.19,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":88.75,"moe2D_vsa_other":9.142,"moe2D_vsa_pol":0,"moe2D_weinerPath":9,"moe2D_weinerPol":0,"moe2D_zagreb":12}
{"Molecule":"cumene","moeGao_Abra_L":4.24,"moeGao_Abra_R":0.649,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.151,"moeGao_Abra_pi":0.514,"moe2D_BCUT_PEOE_0":-2.537,"moe2D_BCUT_PEOE_1":-0.5541,"moe2D_BCUT_PEOE_2":0.6138,"moe2D_BCUT_PEOE_3":2.481,"moe2D_BCUT_SLOGP_0":-2.376,"moe2D_BCUT_SLOGP_1":-0.4511,"moe2D_BCUT_SLOGP_2":0.7144,"moe2D_BCUT_SLOGP_3":2.641,"moe2D_BCUT_SMR_0":-2.276,"moe2D_BCUT_SMR_1":-0.4226,"moe2D_BCUT_SMR_2":0.7511,"moe2D_BCUT_SMR_3":2.75,"moe2D_GCUT_PEOE_0":-0.7851,"moe2D_GCUT_PEOE_1":-0.3518,"moe2D_GCUT_PEOE_2":0.06495,"moe2D_GCUT_PEOE_3":2.21,"moe2D_GCUT_SLOGP_0":-0.6204,"moe2D_GCUT_SLOGP_1":-0.2335,"moe2D_GCUT_SLOGP_2":0.1463,"moe2D_GCUT_SLOGP_3":2.371,"moe2D_GCUT_SMR_0":-0.518,"moe2D_GCUT_SMR_1":-0.1916,"moe2D_GCUT_SMR_2":0.1676,"moe2D_GCUT_SMR_3":2.484,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":2,"moe2D_KierA1":5.29,"moe2D_KierA2":2.309,"moe2D_KierA3":1.366,"moe2D_KierFlex":1.357,"moe2D_PEOE_PC.":0.485,"moe2D_PEOE_PC..1":-0.485,"moe2D_PEOE_RPC.":0.1279,"moe2D_PEOE_RPC..1":0.1273,"moe2D_PEOE_VSA.0":29.86,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":2.209,"moe2D_PEOE_VSA.1.1":98.77,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6636,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3364,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":152.2,"moe2D_PEOE_VSA_NEG":101,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":51.18,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.8935,"moe2D_Q_PC..1":-0.8935,"moe2D_Q_RPC.":0.1679,"moe2D_Q_RPC..1":0.1679,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.4172,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.5828,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":152.2,"moe2D_Q_VSA_NEG":63.48,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":88.68,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.053,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":7.596,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.81,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":4.411,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.15,"moe2D_VDistMa":6.005,"moe2D_Weight":120.2,"moe2D_a_IC":20.69,"moe2D_a_ICM":0.9852,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":21,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":23.84,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":21,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.277,"moe2D_bpol":13.12,"moe2D_chi0":6.69,"moe2D_chi0_C":6.69,"moe2D_chi0v":5.964,"moe2D_chi0v_C":5.964,"moe2D_chi1":4.305,"moe2D_chi1_C":4.305,"moe2D_chi1v":3.354,"moe2D_chi1v_C":3.354,"moeGao_chi2_C":3.642,"moeGao_chi2v_C":2.565,"moeGao_chi3c":0.5,"moeGao_chi3c_C":0.5,"moeGao_chi3cv":0.3849,"moeGao_chi3cv_C":0.3849,"moeGao_chi3p":2.593,"moeGao_chi3p_C":2.593,"moeGao_chi3pv":1.466,"moeGao_chi3pv_C":1.466,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.801,"moeGao_chi4ca_C":1.801,"moeGao_chi4cav":0.8379,"moeGao_chi4cav_C":0.8379,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.04,"moeGao_chi4pc_C":1.04,"moeGao_chi4pcv":0.6369,"moeGao_chi4pcv_C":0.6369,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5946,"moe2D_diameter":5,"moe2D_kS_aaCH":10.52,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.414,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.407,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.6585,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.562,"moe2D_logS":-2.889,"moe2D_mr":4.085,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":152.2,"moe2D_vdw_vol":202.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":142.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":88,"moe2D_weinerPol":9,"moe2D_zagreb":40}
{"Molecule":"cyclohexane","moeGao_Abra_L":3.124,"moeGao_Abra_R":0.248,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.071,"moeGao_Abra_pi":0.277,"moe2D_BCUT_PEOE_0":-2.769,"moe2D_BCUT_PEOE_1":-0.2232,"moe2D_BCUT_PEOE_2":0.265,"moe2D_BCUT_PEOE_3":2.696,"moe2D_BCUT_SLOGP_0":-2.592,"moe2D_BCUT_SLOGP_1":-0.1195,"moe2D_BCUT_SLOGP_2":0.3685,"moe2D_BCUT_SLOGP_3":2.872,"moe2D_BCUT_SMR_0":-2.513,"moe2D_BCUT_SMR_1":-0.1285,"moe2D_BCUT_SMR_2":0.3602,"moe2D_BCUT_SMR_3":2.953,"moe2D_GCUT_PEOE_0":-0.7995,"moe2D_GCUT_PEOE_1":-0.2267,"moe2D_GCUT_PEOE_2":-0.04014,"moe2D_GCUT_PEOE_3":2.293,"moe2D_GCUT_SLOGP_0":-0.6154,"moe2D_GCUT_SLOGP_1":-0.1173,"moe2D_GCUT_SLOGP_2":0.0607,"moe2D_GCUT_SLOGP_3":2.451,"moe2D_GCUT_SMR_0":-0.5293,"moe2D_GCUT_SMR_1":-0.1194,"moe2D_GCUT_SMR_2":0.05009,"moe2D_GCUT_SMR_3":2.512,"moe2D_Kier1":4.167,"moe2D_Kier2":2.222,"moe2D_Kier3":1.333,"moe2D_KierA1":4.167,"moe2D_KierA2":2.222,"moe2D_KierA3":1.333,"moe2D_KierFlex":1.543,"moe2D_PEOE_PC.":0.3183,"moe2D_PEOE_PC..1":-0.3183,"moe2D_PEOE_RPC.":0.08333,"moe2D_PEOE_RPC..1":0.1667,"moe2D_PEOE_VSA.0":51.18,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":52.21,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.5049,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.4951,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":103.4,"moe2D_PEOE_VSA_NEG":52.21,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":51.18,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0,"moe2D_Q_PC..1":0,"moe2D_Q_RPC.":0,"moe2D_Q_RPC..1":0,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":1,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":103.4,"moe2D_Q_VSA_NEG":0,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":103.4,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":2.77,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":113.2,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":2.341,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":113.2,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9183,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.782,"moe2D_Weight":84.16,"moe2D_a_IC":16.53,"moe2D_a_ICM":0.9183,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":18,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":18.56,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":18,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":18,"moe2D_b_triple":0,"moe2D_balabanJ":2,"moe2D_bpol":13.12,"moe2D_chi0":4.243,"moe2D_chi0_C":4.243,"moe2D_chi0v":4.243,"moe2D_chi0v_C":4.243,"moe2D_chi1":3,"moe2D_chi1_C":3,"moe2D_chi1v":3,"moe2D_chi1v_C":3,"moeGao_chi2_C":2.121,"moeGao_chi2v_C":2.121,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.5,"moeGao_chi3p_C":1.5,"moeGao_chi3pv":1.5,"moeGao_chi3pv_C":1.5,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.061,"moeGao_chi4ca_C":1.061,"moeGao_chi4cav":1.061,"moeGao_chi4cav_C":1.061,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5742,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":9,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.615,"moe2D_logS":-2.831,"moe2D_mr":2.808,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0,"moe2D_petitjeanSC":0,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":103.4,"moe2D_vdw_vol":146.6,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":94.85,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":27,"moe2D_weinerPol":3,"moe2D_zagreb":24}
{"Molecule":"cyclohexanol","moeGao_Abra_L":3.796,"moeGao_Abra_R":0.398,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.389,"moeGao_Abra_pi":0.56,"moe2D_BCUT_PEOE_0":-2.764,"moe2D_BCUT_PEOE_1":-0.4735,"moe2D_BCUT_PEOE_2":0.5844,"moe2D_BCUT_PEOE_3":2.719,"moe2D_BCUT_SLOGP_0":-2.677,"moe2D_BCUT_SLOGP_1":-0.5075,"moe2D_BCUT_SLOGP_2":0.4779,"moe2D_BCUT_SLOGP_3":2.832,"moe2D_BCUT_SMR_0":-2.519,"moe2D_BCUT_SMR_1":-0.3889,"moe2D_BCUT_SMR_2":0.6557,"moe2D_BCUT_SMR_3":2.962,"moe2D_GCUT_PEOE_0":-0.8014,"moe2D_GCUT_PEOE_1":-0.3267,"moe2D_GCUT_PEOE_2":0.09489,"moe2D_GCUT_PEOE_3":2.333,"moe2D_GCUT_SLOGP_0":-0.8752,"moe2D_GCUT_SLOGP_1":-0.2824,"moe2D_GCUT_SLOGP_2":-0.00824,"moe2D_GCUT_SLOGP_3":2.433,"moe2D_GCUT_SMR_0":-0.5281,"moe2D_GCUT_SMR_1":-0.2057,"moe2D_GCUT_SMR_2":0.153,"moe2D_GCUT_SMR_3":2.545,"moe2D_Kier1":5.143,"moe2D_Kier2":2.344,"moe2D_Kier3":1.5,"moe2D_KierA1":5.143,"moe2D_KierA2":2.344,"moe2D_KierA3":1.5,"moe2D_KierFlex":1.722,"moe2D_PEOE_PC.":0.5998,"moe2D_PEOE_PC..1":-0.5998,"moe2D_PEOE_RPC.":0.3497,"moe2D_PEOE_RPC..1":0.6532,"moe2D_PEOE_VSA.0":42.65,"moe2D_PEOE_VSA.1":9.17,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":26.1,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8405,"moe2D_PEOE_VSA_FNEG":0.4521,"moe2D_PEOE_VSA_FPNEG":0.06848,"moe2D_PEOE_VSA_FPOL":0.1595,"moe2D_PEOE_VSA_FPOS":0.5479,"moe2D_PEOE_VSA_FPPOS":0.09102,"moe2D_PEOE_VSA_HYD":95.33,"moe2D_PEOE_VSA_NEG":51.27,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":62.15,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7972,"moe2D_Q_VSA_FNEG":0.06848,"moe2D_Q_VSA_FPNEG":0.06848,"moe2D_Q_VSA_FPOL":0.2028,"moe2D_Q_VSA_FPOS":0.9315,"moe2D_Q_VSA_FPPOS":0.1343,"moe2D_Q_VSA_HYD":90.43,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":23,"moe2D_Q_VSA_POS":105.7,"moe2D_Q_VSA_PPOS":15.23,"moe2D_SMR":2.909,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.469,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":94.34,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.311,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":6.469,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":94.34,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8631,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.761,"moe2D_VDistMa":5.255,"moe2D_Weight":100.2,"moe2D_a_IC":22.18,"moe2D_a_ICM":1.167,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":19.36,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":19,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":19,"moe2D_b_triple":0,"moe2D_balabanJ":2.123,"moe2D_bpol":13.12,"moe2D_chi0":5.113,"moe2D_chi0_C":4.113,"moe2D_chi0v":4.56,"moe2D_chi0v_C":4.113,"moe2D_chi1":3.394,"moe2D_chi1_C":2.816,"moe2D_chi1v":3.075,"moe2D_chi1v_C":2.816,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.927,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1291,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.894,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":1.575,"moeGao_chi3pv_C":1.316,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.307,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":1.081,"moeGao_chi4cav_C":0.8985,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1826,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6458,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.909,"moe2D_kS_ssCH2":5.888,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.03588,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.575,"moe2D_logS":-0.8591,"moe2D_mr":2.971,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":113.4,"moe2D_vdw_vol":155.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":87.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":42,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"cyclohexanone","moeGao_Abra_L":3.744,"moeGao_Abra_R":0.387,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.405,"moeGao_Abra_pi":0.748,"moe2D_BCUT_PEOE_0":-2.684,"moe2D_BCUT_PEOE_1":-0.3865,"moe2D_BCUT_PEOE_2":0.2854,"moe2D_BCUT_PEOE_3":2.67,"moe2D_BCUT_SLOGP_0":-2.579,"moe2D_BCUT_SLOGP_1":-0.3075,"moe2D_BCUT_SLOGP_2":0.2961,"moe2D_BCUT_SLOGP_3":2.786,"moe2D_BCUT_SMR_0":-2.439,"moe2D_BCUT_SMR_1":-0.1984,"moe2D_BCUT_SMR_2":0.4577,"moe2D_BCUT_SMR_3":2.919,"moe2D_GCUT_PEOE_0":-0.7813,"moe2D_GCUT_PEOE_1":-0.331,"moe2D_GCUT_PEOE_2":-0.03463,"moe2D_GCUT_PEOE_3":2.242,"moe2D_GCUT_SLOGP_0":-0.8111,"moe2D_GCUT_SLOGP_1":-0.2117,"moe2D_GCUT_SLOGP_2":-0.01536,"moe2D_GCUT_SLOGP_3":2.339,"moe2D_GCUT_SMR_0":-0.5229,"moe2D_GCUT_SMR_1":-0.172,"moe2D_GCUT_SMR_2":0.1287,"moe2D_GCUT_SMR_3":2.464,"moe2D_Kier1":5.143,"moe2D_Kier2":2.344,"moe2D_Kier3":1.5,"moe2D_KierA1":4.443,"moe2D_KierA2":1.967,"moe2D_KierA3":1.219,"moe2D_KierFlex":1.249,"moe2D_PEOE_PC.":0.4424,"moe2D_PEOE_PC..1":-0.4424,"moe2D_PEOE_RPC.":0.3015,"moe2D_PEOE_RPC..1":0.6722,"moe2D_PEOE_VSA.0":60.06,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":8.701,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.8746,"moe2D_PEOE_VSA_FNEG":0.3667,"moe2D_PEOE_VSA_FPNEG":0.1254,"moe2D_PEOE_VSA_FPOL":0.1254,"moe2D_PEOE_VSA_FPOS":0.6333,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":94.62,"moe2D_PEOE_VSA_NEG":39.67,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":68.52,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.786,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7964,"moe2D_Q_VSA_FNEG":0.1254,"moe2D_Q_VSA_FPNEG":0.1254,"moe2D_Q_VSA_FPOL":0.2036,"moe2D_Q_VSA_FPOS":0.8746,"moe2D_Q_VSA_FPPOS":0.07819,"moe2D_Q_VSA_HYD":86.16,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":22.03,"moe2D_Q_VSA_POS":94.62,"moe2D_Q_VSA_PPOS":8.459,"moe2D_SMR":2.809,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":94.34,"moe2D_SMR_VSA6":5.688,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.52,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":5.688,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":94.34,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.8631,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.761,"moe2D_VDistMa":5.255,"moe2D_Weight":98.14,"moe2D_a_IC":20.76,"moe2D_a_ICM":1.221,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":17,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":18.03,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":17,"moe2D_b_double":1,"moe2D_b_heavy":7,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":2.153,"moe2D_bpol":11.89,"moe2D_chi0":5.113,"moe2D_chi0_C":4.113,"moe2D_chi0v":4.444,"moe2D_chi0v_C":4.036,"moe2D_chi1":3.394,"moe2D_chi1_C":2.816,"moe2D_chi1v":2.911,"moe2D_chi1v_C":2.707,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.811,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1021,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.894,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":1.411,"moeGao_chi3pv_C":1.207,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.307,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":0.9461,"moeGao_chi4cav_C":0.8018,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1443,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6642,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.46,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.4641,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":5.239,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.995,"moe2D_logS":-0.7533,"moe2D_mr":2.937,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":108.2,"moe2D_vdw_vol":147.8,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":79.04,"moe2D_vsa_other":8.459,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":42,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"cyclohexanoneoxime","moeGao_Abra_L":3.686,"moeGao_Abra_R":0.606,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.578,"moeGao_Abra_pi":0.75,"moe2D_BCUT_PEOE_0":-2.697,"moe2D_BCUT_PEOE_1":-0.2991,"moe2D_BCUT_PEOE_2":0.3849,"moe2D_BCUT_PEOE_3":2.661,"moe2D_BCUT_SLOGP_0":-2.581,"moe2D_BCUT_SLOGP_1":-0.2949,"moe2D_BCUT_SLOGP_2":0.4242,"moe2D_BCUT_SLOGP_3":2.789,"moe2D_BCUT_SMR_0":-2.44,"moe2D_BCUT_SMR_1":-0.118,"moe2D_BCUT_SMR_2":0.5519,"moe2D_BCUT_SMR_3":2.924,"moe2D_GCUT_PEOE_0":-0.7843,"moe2D_GCUT_PEOE_1":-0.3529,"moe2D_GCUT_PEOE_2":0.00571,"moe2D_GCUT_PEOE_3":2.275,"moe2D_GCUT_SLOGP_0":-0.7777,"moe2D_GCUT_SLOGP_1":-0.2776,"moe2D_GCUT_SLOGP_2":0.08348,"moe2D_GCUT_SLOGP_3":2.386,"moe2D_GCUT_SMR_0":-0.5234,"moe2D_GCUT_SMR_1":-0.1313,"moe2D_GCUT_SMR_2":0.1762,"moe2D_GCUT_SMR_3":2.515,"moe2D_Kier1":6.125,"moe2D_Kier2":3.111,"moe2D_Kier3":1.8,"moe2D_KierA1":5.401,"moe2D_KierA2":2.687,"moe2D_KierA3":1.527,"moe2D_KierFlex":1.814,"moe2D_PEOE_PC.":0.5832,"moe2D_PEOE_PC..1":-0.5832,"moe2D_PEOE_RPC.":0.4228,"moe2D_PEOE_RPC..1":0.4561,"moe2D_PEOE_VSA.0":49.35,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":34.81,"moe2D_PEOE_VSA.1.1":8.701,"moe2D_PEOE_VSA.2.1":10.89,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":11.17,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.8284,"moe2D_PEOE_VSA_FNEG":0.5235,"moe2D_PEOE_VSA_FPNEG":0.08916,"moe2D_PEOE_VSA_FPOL":0.1716,"moe2D_PEOE_VSA_FPOS":0.4765,"moe2D_PEOE_VSA_FPPOS":0.08244,"moe2D_PEOE_VSA_HYD":103.7,"moe2D_PEOE_VSA_NEG":65.56,"moe2D_PEOE_VSA_PNEG":11.17,"moe2D_PEOE_VSA_POL":21.49,"moe2D_PEOE_VSA_POS":59.68,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.85,"moe2D_Q_PC..1":-0.85,"moe2D_Q_RPC.":0.4706,"moe2D_Q_RPC..1":0.6035,"moe2D_Q_VSA_FHYD":0.688,"moe2D_Q_VSA_FNEG":0.1761,"moe2D_Q_VSA_FPNEG":0.1761,"moe2D_Q_VSA_FPOL":0.312,"moe2D_Q_VSA_FPOS":0.8239,"moe2D_Q_VSA_FPPOS":0.1359,"moe2D_Q_VSA_HYD":86.16,"moe2D_Q_VSA_NEG":22.05,"moe2D_Q_VSA_PNEG":22.05,"moe2D_Q_VSA_POL":39.08,"moe2D_Q_VSA_POS":103.2,"moe2D_Q_VSA_PPOS":17.02,"moe2D_SMR":3.315,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":19.4,"moe2D_SMR_VSA2":25.6,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":94.34,"moe2D_SMR_VSA6":2.757,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.781,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":2.757,"moe2D_SlogP_VSA2":25.6,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":19.4,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":94.34,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":32.59,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.06,"moe2D_VDistMa":5.642,"moe2D_Weight":113.2,"moe2D_a_IC":27.15,"moe2D_a_ICM":1.429,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":19.8,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":19,"moe2D_b_double":1,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":18,"moe2D_b_triple":0,"moe2D_balabanJ":2.153,"moe2D_bpol":12.03,"moe2D_chi0":5.82,"moe2D_chi0_C":4.113,"moe2D_chi0v":4.93,"moe2D_chi0v_C":4.036,"moe2D_chi1":3.932,"moe2D_chi1_C":2.816,"moe2D_chi1v":3.131,"moe2D_chi1v_C":2.707,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.811,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1118,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.302,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":1.572,"moeGao_chi3pv_C":1.207,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.595,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":1.06,"moeGao_chi4cav_C":0.8018,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2081,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6925,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":3.164,"moe2D_kS_dssC":0.9826,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.279,"moe2D_kS_ssCH2":5.741,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.241,"moe2D_logS":-0.5685,"moe2D_mr":3.272,"moe2D_opr_brigid":7,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":125.2,"moe2D_vdw_vol":163.4,"moe2D_vsa_acc":10.89,"moe2D_vsa_don":0,"moe2D_vsa_hyd":79.04,"moe2D_vsa_other":6.7,"moe2D_vsa_pol":27.85,"moe2D_weinerPath":64,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"di-n-butylether(dibutylether)","moeGao_Abra_L":4.126,"moeGao_Abra_R":0.054,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.296,"moeGao_Abra_pi":0.312,"moe2D_BCUT_PEOE_0":-2.629,"moe2D_BCUT_PEOE_1":-0.03745,"moe2D_BCUT_PEOE_2":0.05596,"moe2D_BCUT_PEOE_3":2.572,"moe2D_BCUT_SLOGP_0":-2.567,"moe2D_BCUT_SLOGP_1":0.09096,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.669,"moe2D_BCUT_SMR_0":-2.384,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1062,"moe2D_BCUT_SMR_3":2.813,"moe2D_GCUT_PEOE_0":-0.8179,"moe2D_GCUT_PEOE_1":-0.1986,"moe2D_GCUT_PEOE_2":-0.104,"moe2D_GCUT_PEOE_3":2.269,"moe2D_GCUT_SLOGP_0":-0.8287,"moe2D_GCUT_SLOGP_1":-0.08878,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.359,"moe2D_GCUT_SMR_0":-0.5312,"moe2D_GCUT_SMR_1":-0.06954,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.478,"moe2D_Kier1":9,"moe2D_Kier2":8,"moe2D_Kier3":8,"moe2D_KierA1":9,"moe2D_KierA2":8,"moe2D_KierA3":8,"moe2D_KierFlex":8,"moe2D_PEOE_PC.":0.6773,"moe2D_PEOE_PC..1":-0.6773,"moe2D_PEOE_RPC.":0.08263,"moe2D_PEOE_RPC..1":0.5607,"moe2D_PEOE_VSA.0":89.62,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":54.9,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.9862,"moe2D_PEOE_VSA_FNEG":0.4122,"moe2D_PEOE_VSA_FPNEG":0.0138,"moe2D_PEOE_VSA_FPOL":0.0138,"moe2D_PEOE_VSA_FPOS":0.5878,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":179,"moe2D_PEOE_VSA_NEG":74.8,"moe2D_PEOE_VSA_PNEG":2.504,"moe2D_PEOE_VSA_POL":2.504,"moe2D_PEOE_VSA_POS":106.7,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.56,"moe2D_Q_PC..1":-0.56,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8214,"moe2D_Q_VSA_FNEG":0.0138,"moe2D_Q_VSA_FPNEG":0.0138,"moe2D_Q_VSA_FPOL":0.1786,"moe2D_Q_VSA_FPOS":0.9862,"moe2D_Q_VSA_FPPOS":0.1648,"moe2D_Q_VSA_HYD":149.1,"moe2D_Q_VSA_NEG":2.504,"moe2D_Q_VSA_PNEG":2.504,"moe2D_Q_VSA_POL":32.41,"moe2D_Q_VSA_POS":179,"moe2D_Q_VSA_PPOS":29.9,"moe2D_SMR":4.064,"moe2D_SMR_VSA0":11,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":41.85,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.603,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":9.23,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.794,"moe2D_VDistMa":5.917,"moe2D_Weight":130.2,"moe2D_a_IC":29.32,"moe2D_a_ICM":1.086,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":27,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":18,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":26.88,"moe2D_b_1rotN":6,"moe2D_b_1rotR":0.75,"moe2D_b_ar":0,"moe2D_b_count":26,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":6,"moe2D_b_rotR":0.75,"moe2D_b_single":26,"moe2D_b_triple":0,"moe2D_balabanJ":2.595,"moe2D_bpol":21.59,"moe2D_chi0":6.95,"moe2D_chi0_C":6.243,"moe2D_chi0v":6.651,"moe2D_chi0v_C":6.243,"moe2D_chi1":4.414,"moe2D_chi1_C":3.414,"moe2D_chi1v":3.992,"moe2D_chi1v_C":3.414,"moeGao_chi2_C":1.707,"moeGao_chi2v_C":1.707,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.707,"moeGao_chi3p_C":0.7071,"moeGao_chi3pv":1.284,"moeGao_chi3pv_C":0.7071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.03,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.5949,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.592,"moe2D_diameter":8,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.367,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":6.818,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":5.314,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.002,"moe2D_logS":-1.822,"moe2D_mr":4.135,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":6,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":181.5,"moe2D_vdw_vol":220,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":166.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":2.504,"moe2D_weinerPath":120,"moe2D_weinerPol":6,"moe2D_zagreb":30}
{"Molecule":"di-n-hexylamine(1-hexanaminen-hexyl)","moeGao_Abra_L":6.33,"moeGao_Abra_R":0.178,"moeGao_Abra_acidity":0.117,"moeGao_Abra_basicity":0.626,"moeGao_Abra_pi":0.392,"moe2D_BCUT_PEOE_0":-2.712,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.0424,"moe2D_BCUT_PEOE_3":2.63,"moe2D_BCUT_SLOGP_0":-2.738,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.752,"moe2D_BCUT_SMR_0":-2.449,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.891,"moe2D_GCUT_PEOE_0":-0.853,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.1176,"moe2D_GCUT_PEOE_3":2.514,"moe2D_GCUT_SLOGP_0":-1.153,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.605,"moe2D_GCUT_SMR_0":-0.534,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.734,"moe2D_Kier1":13,"moe2D_Kier2":12,"moe2D_Kier3":12,"moe2D_KierA1":13,"moe2D_KierA2":12,"moe2D_KierA3":12,"moe2D_KierFlex":12,"moe2D_PEOE_PC.":0.8578,"moe2D_PEOE_PC..1":-0.8578,"moe2D_PEOE_RPC.":0.1421,"moe2D_PEOE_RPC..1":0.3684,"moe2D_PEOE_VSA.0":110.9,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.619,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":43.79,"moe2D_PEOE_VSA.1.1":89.7,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0.1369,"moe2D_PEOE_VSA_FHYD":0.9995,"moe2D_PEOE_VSA_FNEG":0.5279,"moe2D_PEOE_VSA_FPNEG":0.00054,"moe2D_PEOE_VSA_FPOL":0.00054,"moe2D_PEOE_VSA_FPOS":0.4721,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":253,"moe2D_PEOE_VSA_NEG":133.6,"moe2D_PEOE_VSA_PNEG":0.1369,"moe2D_PEOE_VSA_POL":0.1369,"moe2D_PEOE_VSA_POS":119.5,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.9,"moe2D_Q_PC..1":-0.9,"moe2D_Q_RPC.":0.4,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8612,"moe2D_Q_VSA_FNEG":0.00054,"moe2D_Q_VSA_FPNEG":0.00054,"moe2D_Q_VSA_FPOL":0.1388,"moe2D_Q_VSA_FPOS":0.9995,"moe2D_Q_VSA_FPPOS":0.1383,"moe2D_Q_VSA_HYD":218,"moe2D_Q_VSA_NEG":0.1369,"moe2D_Q_VSA_PNEG":0.1369,"moe2D_Q_VSA_POL":35.14,"moe2D_Q_VSA_POS":253,"moe2D_Q_VSA_PPOS":35,"moe2D_SMR":6.115,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":18.01,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":150.9,"moe2D_SMR_VSA6":36.88,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":3.737,"moe2D_SlogP_VSA0":18.01,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":36.88,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":150.9,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":12.03,"moe2D_VAdjEq":0.5895,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":3.358,"moe2D_VDistMa":6.997,"moe2D_Weight":185.4,"moe2D_a_IC":41.48,"moe2D_a_ICM":1.037,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":40,"moe2D_a_don":1,"moe2D_a_heavy":13,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":27,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":40.22,"moe2D_b_1rotN":10,"moe2D_b_1rotR":0.8333,"moe2D_b_ar":0,"moe2D_b_count":39,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":10,"moe2D_b_rotR":0.8333,"moe2D_b_single":39,"moe2D_b_triple":0,"moe2D_balabanJ":2.758,"moe2D_bpol":30.18,"moe2D_chi0":9.778,"moe2D_chi0_C":9.071,"moe2D_chi0v":9.571,"moe2D_chi0v_C":9.071,"moe2D_chi1":6.414,"moe2D_chi1_C":5.414,"moe2D_chi1v":6.121,"moe2D_chi1v_C":5.414,"moeGao_chi2_C":3.121,"moeGao_chi2v_C":3.121,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.707,"moeGao_chi3p_C":1.707,"moeGao_chi3pv":2.414,"moeGao_chi3pv_C":1.707,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":0.8536,"moeGao_chi4cav":1.479,"moeGao_chi4cav_C":0.8536,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5733,"moe2D_diameter":12,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.524,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":13.47,"moe2D_kS_ssNH":3.503,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.461,"moe2D_logS":-3.507,"moe2D_mr":6.09,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":10,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":6,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":253.1,"moe2D_vdw_vol":323.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":225.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":364,"moe2D_weinerPol":10,"moe2D_zagreb":46}
{"Molecule":"di-n-pentylether(n-amylether)","moeGao_Abra_L":5.124,"moeGao_Abra_R":0.054,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.296,"moeGao_Abra_pi":0.312,"moe2D_BCUT_PEOE_0":-2.662,"moe2D_BCUT_PEOE_1":-0.03746,"moe2D_BCUT_PEOE_2":0.05596,"moe2D_BCUT_PEOE_3":2.603,"moe2D_BCUT_SLOGP_0":-2.581,"moe2D_BCUT_SLOGP_1":0.09096,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.721,"moe2D_BCUT_SMR_0":-2.415,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1062,"moe2D_BCUT_SMR_3":2.847,"moe2D_GCUT_PEOE_0":-0.8182,"moe2D_GCUT_PEOE_1":-0.1985,"moe2D_GCUT_PEOE_2":-0.104,"moe2D_GCUT_PEOE_3":2.385,"moe2D_GCUT_SLOGP_0":-0.8288,"moe2D_GCUT_SLOGP_1":-0.08875,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.487,"moe2D_GCUT_SMR_0":-0.5334,"moe2D_GCUT_SMR_1":-0.06953,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.595,"moe2D_Kier1":11,"moe2D_Kier2":10,"moe2D_Kier3":10,"moe2D_KierA1":11,"moe2D_KierA2":10,"moe2D_KierA3":10,"moe2D_KierFlex":10,"moe2D_PEOE_PC.":0.7834,"moe2D_PEOE_PC..1":-0.7834,"moe2D_PEOE_RPC.":0.07144,"moe2D_PEOE_RPC..1":0.4848,"moe2D_PEOE_VSA.0":106.7,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":72.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.9884,"moe2D_PEOE_VSA_FNEG":0.427,"moe2D_PEOE_VSA_FPNEG":0.01159,"moe2D_PEOE_VSA_FPOL":0.01159,"moe2D_PEOE_VSA_FPOS":0.573,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":213.4,"moe2D_PEOE_VSA_NEG":92.21,"moe2D_PEOE_VSA_PNEG":2.504,"moe2D_PEOE_VSA_POL":2.504,"moe2D_PEOE_VSA_POS":123.7,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.56,"moe2D_Q_PC..1":-0.56,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8499,"moe2D_Q_VSA_FNEG":0.01159,"moe2D_Q_VSA_FPNEG":0.01159,"moe2D_Q_VSA_FPOL":0.1501,"moe2D_Q_VSA_FPOS":0.9884,"moe2D_Q_VSA_FPPOS":0.1385,"moe2D_Q_VSA_HYD":183.5,"moe2D_Q_VSA_NEG":2.504,"moe2D_Q_VSA_PNEG":2.504,"moe2D_Q_VSA_POL":32.41,"moe2D_Q_VSA_POS":213.4,"moe2D_Q_VSA_PPOS":29.9,"moe2D_SMR":4.987,"moe2D_SMR_VSA0":11,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":113.2,"moe2D_SMR_VSA6":41.85,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":3.383,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":113.2,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":9.23,"moe2D_VAdjEq":0.6468,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":3.104,"moe2D_VDistMa":6.508,"moe2D_Weight":158.3,"moe2D_a_IC":35.14,"moe2D_a_ICM":1.065,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":33,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":22,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":33.07,"moe2D_b_1rotN":8,"moe2D_b_1rotR":0.8,"moe2D_b_ar":0,"moe2D_b_count":32,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":8,"moe2D_b_rotR":0.8,"moe2D_b_single":32,"moe2D_b_triple":0,"moe2D_balabanJ":2.691,"moe2D_bpol":25.97,"moe2D_chi0":8.364,"moe2D_chi0_C":7.657,"moe2D_chi0v":8.065,"moe2D_chi0v_C":7.657,"moe2D_chi1":5.414,"moe2D_chi1_C":4.414,"moe2D_chi1v":4.992,"moe2D_chi1v_C":4.414,"moeGao_chi2_C":2.414,"moeGao_chi2v_C":2.414,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.207,"moeGao_chi3p_C":1.207,"moeGao_chi3pv":1.784,"moeGao_chi3pv_C":1.207,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.384,"moeGao_chi4ca_C":0.5,"moeGao_chi4cav":1.01,"moeGao_chi4cav_C":0.5,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5888,"moe2D_diameter":10,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.439,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":9.624,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":5.438,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.886,"moe2D_logS":-2.852,"moe2D_mr":5.058,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":8,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":215.9,"moe2D_vdw_vol":268.8,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":197.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":2.504,"moe2D_weinerPath":220,"moe2D_weinerPol":8,"moe2D_zagreb":38}
{"Molecule":"dibutyl","moeGao_Abra_L":9.068,"moeGao_Abra_R":1.204,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.807,"moeGao_Abra_pi":1.391,"moe2D_BCUT_PEOE_0":-2.57,"moe2D_BCUT_PEOE_1":-0.3971,"moe2D_BCUT_PEOE_2":0.3854,"moe2D_BCUT_PEOE_3":2.536,"moe2D_BCUT_SLOGP_0":-2.501,"moe2D_BCUT_SLOGP_1":-0.28,"moe2D_BCUT_SLOGP_2":0.4888,"moe2D_BCUT_SLOGP_3":2.639,"moe2D_BCUT_SMR_0":-2.333,"moe2D_BCUT_SMR_1":-0.2126,"moe2D_BCUT_SMR_2":0.5715,"moe2D_BCUT_SMR_3":2.773,"moe2D_GCUT_PEOE_0":-0.7858,"moe2D_GCUT_PEOE_1":-0.3707,"moe2D_GCUT_PEOE_2":-0.03881,"moe2D_GCUT_PEOE_3":2.435,"moe2D_GCUT_SLOGP_0":-0.8355,"moe2D_GCUT_SLOGP_1":-0.2261,"moe2D_GCUT_SLOGP_2":0.06212,"moe2D_GCUT_SLOGP_3":2.49,"moe2D_GCUT_SMR_0":-0.529,"moe2D_GCUT_SMR_1":-0.1571,"moe2D_GCUT_SMR_2":0.1099,"moe2D_GCUT_SMR_3":2.681,"moe2D_Kier1":18.05,"moe2D_Kier2":10.69,"moe2D_Kier3":6.549,"moe2D_KierA1":14.45,"moe2D_KierA2":8.45,"moe2D_KierA3":5.13,"moe2D_KierFlex":6.106,"moe2D_PEOE_PC.":1.656,"moe2D_PEOE_PC..1":-1.656,"moe2D_PEOE_RPC.":0.1779,"moe2D_PEOE_RPC..1":0.1881,"moe2D_PEOE_VSA.0":59.72,"moe2D_PEOE_VSA.1":68.44,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":41.91,"moe2D_PEOE_VSA.1.1":79.41,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.8021,"moe2D_PEOE_VSA_FNEG":0.4934,"moe2D_PEOE_VSA_FPNEG":0.1033,"moe2D_PEOE_VSA_FPOL":0.1979,"moe2D_PEOE_VSA_FPOS":0.5066,"moe2D_PEOE_VSA_FPPOS":0.09458,"moe2D_PEOE_VSA_HYD":249.5,"moe2D_PEOE_VSA_NEG":153.5,"moe2D_PEOE_VSA_PNEG":32.14,"moe2D_PEOE_VSA_POL":61.56,"moe2D_PEOE_VSA_POS":157.6,"moe2D_PEOE_VSA_PPOS":29.42,"moe2D_Q_PC.":2.6,"moe2D_Q_PC..1":-2.6,"moe2D_Q_RPC.":0.2438,"moe2D_Q_RPC..1":0.2192,"moe2D_Q_VSA_FHYD":0.7059,"moe2D_Q_VSA_FNEG":0.2609,"moe2D_Q_VSA_FPNEG":0.1033,"moe2D_Q_VSA_FPOL":0.2941,"moe2D_Q_VSA_FPOS":0.7391,"moe2D_Q_VSA_FPPOS":0.1907,"moe2D_Q_VSA_HYD":219.6,"moe2D_Q_VSA_NEG":81.16,"moe2D_Q_VSA_PNEG":32.14,"moe2D_Q_VSA_POL":91.46,"moe2D_Q_VSA_POS":229.9,"moe2D_Q_VSA_PPOS":59.32,"moe2D_SMR":7.682,"moe2D_SMR_VSA0":69.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":146,"moe2D_SMR_VSA6":57.34,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":3.6,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":22,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":54.1,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":52.6,"moe2D_VAdjEq":0.469,"moe2D_VAdjMa":5.322,"moe2D_VDistEq":3.341,"moe2D_VDistMa":8.337,"moe2D_Weight":278.3,"moe2D_a_IC":56.37,"moe2D_a_ICM":1.342,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":42,"moe2D_a_don":0,"moe2D_a_heavy":20,"moe2D_a_hyd":14,"moe2D_a_nBr":0,"moe2D_a_nC":16,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":22,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":46.04,"moe2D_b_1rotN":8,"moe2D_b_1rotR":0.4,"moe2D_b_ar":6,"moe2D_b_count":42,"moe2D_b_double":2,"moe2D_b_heavy":20,"moe2D_b_rotN":10,"moe2D_b_rotR":0.5,"moe2D_b_single":34,"moe2D_b_triple":0,"moe2D_balabanJ":2.44,"moe2D_bpol":29.8,"moe2D_chi0":14.79,"moe2D_chi0_C":11.38,"moe2D_chi0v":12.19,"moe2D_chi0v_C":10.55,"moe2D_chi1":9.702,"moe2D_chi1_C":6.731,"moe2D_chi1v":7.135,"moe2D_chi1v_C":5.742,"moeGao_chi2_C":4.319,"moeGao_chi2v_C":3.253,"moeGao_chi3c":0.7436,"moeGao_chi3c_C":0.2722,"moeGao_chi3cv":0.2277,"moeGao_chi3cv_C":0.1443,"moeGao_chi3p":5.863,"moeGao_chi3p_C":2.582,"moeGao_chi3pv":2.829,"moeGao_chi3pv_C":1.634,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":4.462,"moeGao_chi4ca_C":1.188,"moeGao_chi4cav":1.613,"moeGao_chi4cav_C":0.4831,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.945,"moeGao_chi4pc_C":0.542,"moeGao_chi4pcv":0.5054,"moeGao_chi4pcv_C":0.2388,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7014,"moe2D_diameter":13,"moe2D_kS_aaCH":6.591,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.5372,"moe2D_kS_dCH2":0,"moe2D_kS_dO":23.89,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.9417,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.041,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":4.273,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":10.28,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.58,"moe2D_logS":-4.237,"moe2D_mr":7.948,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":8,"moe2D_opr_violation":0,"moe2D_petitjean":0.4615,"moe2D_petitjeanSC":0.8571,"moe2D_radius":7,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":311,"moe2D_vdw_vol":396.8,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":233.8,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":912,"moe2D_weinerPol":26,"moe2D_zagreb":88}
{"Molecule":"dibutyladipate","moeGao_Abra_L":7.94,"moeGao_Abra_R":0.572,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.763,"moeGao_Abra_pi":0.989,"moe2D_BCUT_PEOE_0":-2.6,"moe2D_BCUT_PEOE_1":-0.2299,"moe2D_BCUT_PEOE_2":0.05658,"moe2D_BCUT_PEOE_3":2.603,"moe2D_BCUT_SLOGP_0":-2.543,"moe2D_BCUT_SLOGP_1":-0.08954,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.689,"moe2D_BCUT_SMR_0":-2.368,"moe2D_BCUT_SMR_1":0.04735,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.833,"moe2D_GCUT_PEOE_0":-0.786,"moe2D_GCUT_PEOE_1":-0.3725,"moe2D_GCUT_PEOE_2":-0.1034,"moe2D_GCUT_PEOE_3":2.457,"moe2D_GCUT_SLOGP_0":-0.8475,"moe2D_GCUT_SLOGP_1":-0.2651,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.515,"moe2D_GCUT_SMR_0":-0.5318,"moe2D_GCUT_SMR_1":-0.1311,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.665,"moe2D_Kier1":18,"moe2D_Kier2":13.43,"moe2D_Kier3":13.29,"moe2D_KierA1":16.19,"moe2D_KierA2":12,"moe2D_KierA3":11.82,"moe2D_KierFlex":10.8,"moe2D_PEOE_PC.":1.544,"moe2D_PEOE_PC..1":-1.544,"moe2D_PEOE_RPC.":0.1698,"moe2D_PEOE_RPC..1":0.2042,"moe2D_PEOE_VSA.0":111.2,"moe2D_PEOE_VSA.1":46.96,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":34.81,"moe2D_PEOE_VSA.1.1":54.9,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.8011,"moe2D_PEOE_VSA_FNEG":0.3937,"moe2D_PEOE_VSA_FPNEG":0.1039,"moe2D_PEOE_VSA_FPOL":0.1989,"moe2D_PEOE_VSA_FPOS":0.6063,"moe2D_PEOE_VSA_FPPOS":0.09506,"moe2D_PEOE_VSA_HYD":247.9,"moe2D_PEOE_VSA_NEG":121.8,"moe2D_PEOE_VSA_PNEG":32.14,"moe2D_PEOE_VSA_POL":61.56,"moe2D_PEOE_VSA_POS":187.6,"moe2D_PEOE_VSA_PPOS":29.42,"moe2D_Q_PC.":2,"moe2D_Q_PC..1":-2,"moe2D_Q_RPC.":0.3295,"moe2D_Q_RPC..1":0.285,"moe2D_Q_VSA_FHYD":0.7045,"moe2D_Q_VSA_FNEG":0.1039,"moe2D_Q_VSA_FPNEG":0.1039,"moe2D_Q_VSA_FPOL":0.2955,"moe2D_Q_VSA_FPOS":0.8961,"moe2D_Q_VSA_FPPOS":0.1917,"moe2D_Q_VSA_HYD":218,"moe2D_Q_VSA_NEG":32.14,"moe2D_Q_VSA_PNEG":32.14,"moe2D_Q_VSA_POL":91.46,"moe2D_Q_VSA_POS":277.3,"moe2D_Q_VSA_PPOS":59.32,"moe2D_SMR":7.02,"moe2D_SMR_VSA0":69.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":150.9,"moe2D_SMR_VSA6":57.34,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":3.233,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":69.72,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":150.9,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":52.6,"moe2D_VAdjEq":0.4845,"moe2D_VAdjMa":5.087,"moe2D_VDistEq":3.642,"moe2D_VDistMa":7.973,"moe2D_Weight":258.4,"moe2D_a_IC":56.7,"moe2D_a_ICM":1.289,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":44,"moe2D_a_don":0,"moe2D_a_heavy":18,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":14,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":26,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":45.18,"moe2D_b_1rotN":11,"moe2D_b_1rotR":0.6471,"moe2D_b_ar":0,"moe2D_b_count":43,"moe2D_b_double":2,"moe2D_b_heavy":17,"moe2D_b_rotN":13,"moe2D_b_rotR":0.7647,"moe2D_b_single":41,"moe2D_b_triple":0,"moe2D_balabanJ":3.271,"moe2D_bpol":34.17,"moe2D_chi0":13.64,"moe2D_chi0_C":10.23,"moe2D_chi0v":11.7,"moe2D_chi0v_C":10.07,"moe2D_chi1":8.702,"moe2D_chi1_C":5.731,"moe2D_chi1v":7.015,"moe2D_chi1v_C":5.621,"moeGao_chi2_C":2.992,"moeGao_chi2v_C":2.914,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.245,"moeGao_chi3p_C":1.365,"moeGao_chi3pv":2.534,"moeGao_chi3pv_C":1.311,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.76,"moeGao_chi4ca_C":0.2887,"moeGao_chi4cav":1.344,"moeGao_chi4cav_C":0.25,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1667,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6806,"moe2D_diameter":15,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":22.47,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.3281,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.107,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":7.057,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":10.03,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.682,"moe2D_logS":-2.663,"moe2D_mr":7.305,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":11,"moe2D_opr_violation":1,"moe2D_petitjean":0.4667,"moe2D_petitjeanSC":0.875,"moe2D_radius":8,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":309.5,"moe2D_vdw_vol":379.6,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":229.4,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":859,"moe2D_weinerPol":17,"moe2D_zagreb":70}
{"Molecule":"dichloromethane-(methylene","moeGao_Abra_L":1.856,"moeGao_Abra_R":0.277,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.057,"moeGao_Abra_pi":0.391,"moe2D_BCUT_PEOE_0":-1.966,"moe2D_BCUT_PEOE_1":-0.08019,"moe2D_BCUT_PEOE_2":0.03182,"moe2D_BCUT_PEOE_3":2.039,"moe2D_BCUT_SLOGP_0":-1.936,"moe2D_BCUT_SLOGP_1":0.2134,"moe2D_BCUT_SLOGP_2":0.5911,"moe2D_BCUT_SLOGP_3":2.151,"moe2D_BCUT_SMR_0":-1.704,"moe2D_BCUT_SMR_1":0.1853,"moe2D_BCUT_SMR_2":0.505,"moe2D_BCUT_SMR_3":2.326,"moe2D_GCUT_PEOE_0":-0.6367,"moe2D_GCUT_PEOE_1":-0.2392,"moe2D_GCUT_PEOE_2":-0.1272,"moe2D_GCUT_PEOE_3":1.186,"moe2D_GCUT_SLOGP_0":-0.7216,"moe2D_GCUT_SLOGP_1":0.04697,"moe2D_GCUT_SLOGP_2":0.4246,"moe2D_GCUT_SLOGP_3":1.436,"moe2D_GCUT_SMR_0":-0.415,"moe2D_GCUT_SMR_1":0.0278,"moe2D_GCUT_SMR_2":0.3475,"moe2D_GCUT_SMR_3":1.509,"moe2D_Kier1":3,"moe2D_Kier2":2,"moe2D_Kier3":0,"moe2D_KierA1":8.291,"moe2D_KierA2":10.64,"moe2D_KierA3":0,"moe2D_KierFlex":29.41,"moe2D_PEOE_PC.":0.2165,"moe2D_PEOE_PC..1":-0.2165,"moe2D_PEOE_RPC.":0.4481,"moe2D_PEOE_RPC..1":0.5,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":21.85,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":59.16,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7303,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2697,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":81.02,"moe2D_PEOE_VSA_NEG":59.16,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":21.85,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.58,"moe2D_Q_PC..1":-0.58,"moe2D_Q_RPC.":1,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.1053,"moe2D_Q_VSA_FNEG":0.7303,"moe2D_Q_VSA_FPNEG":0.7303,"moe2D_Q_VSA_FPOL":0.8947,"moe2D_Q_VSA_FPOS":0.2697,"moe2D_Q_VSA_FPPOS":0.1645,"moe2D_Q_VSA_HYD":8.531,"moe2D_Q_VSA_NEG":59.16,"moe2D_Q_VSA_PNEG":59.16,"moe2D_Q_VSA_POL":72.49,"moe2D_Q_VSA_POS":21.85,"moe2D_Q_VSA_PPOS":13.32,"moe2D_SMR":1.657,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":19.5,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":1.421,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":19.5,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":78.3,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9911,"moe2D_VAdjMa":2,"moe2D_VDistEq":0.9183,"moe2D_VDistMa":2.5,"moe2D_Weight":84.93,"moe2D_a_IC":7.61,"moe2D_a_ICM":1.522,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":5,"moe2D_a_don":0,"moe2D_a_heavy":3,"moe2D_a_hyd":2,"moe2D_a_nBr":0,"moe2D_a_nC":1,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":2,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":7.454,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":4,"moe2D_b_double":0,"moe2D_b_heavy":2,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":4,"moe2D_b_triple":0,"moe2D_balabanJ":1.633,"moe2D_bpol":3.026,"moe2D_chi0":2.707,"moe2D_chi0_C":0.7071,"moe2D_chi0v":2.975,"moe2D_chi0v_C":0.7071,"moe2D_chi1":1.414,"moe2D_chi1_C":0,"moe2D_chi1v":1.604,"moe2D_chi1v_C":0,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.209,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":9.528,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.1944,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.304,"moe2D_logS":-0.8266,"moe2D_mr":1.63,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":81.02,"moe2D_vdw_vol":70.24,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":59.16,"moe2D_vsa_other":20.43,"moe2D_vsa_pol":0,"moe2D_weinerPath":4,"moe2D_weinerPol":0,"moe2D_zagreb":6}
{"Molecule":"dicyclopentadiene","moeGao_Abra_L":5,"moeGao_Abra_R":0.876,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.159,"moeGao_Abra_pi":0.621,"moe2D_BCUT_PEOE_0":-2.602,"moe2D_BCUT_PEOE_1":-0.5637,"moe2D_BCUT_PEOE_2":0.6106,"moe2D_BCUT_PEOE_3":2.849,"moe2D_BCUT_SLOGP_0":-2.531,"moe2D_BCUT_SLOGP_1":-0.4814,"moe2D_BCUT_SLOGP_2":0.7094,"moe2D_BCUT_SLOGP_3":2.937,"moe2D_BCUT_SMR_0":-2.347,"moe2D_BCUT_SMR_1":-0.44,"moe2D_BCUT_SMR_2":0.7532,"moe2D_BCUT_SMR_3":3.116,"moe2D_GCUT_PEOE_0":-0.7944,"moe2D_GCUT_PEOE_1":-0.3967,"moe2D_GCUT_PEOE_2":0.05027,"moe2D_GCUT_PEOE_3":2.606,"moe2D_GCUT_SLOGP_0":-0.7402,"moe2D_GCUT_SLOGP_1":-0.311,"moe2D_GCUT_SLOGP_2":0.1341,"moe2D_GCUT_SLOGP_3":2.712,"moe2D_GCUT_SMR_0":-0.5352,"moe2D_GCUT_SMR_1":-0.2396,"moe2D_GCUT_SMR_2":0.1571,"moe2D_GCUT_SMR_3":2.858,"moe2D_Kier1":5.625,"moe2D_Kier2":1.778,"moe2D_Kier3":0.6145,"moe2D_KierA1":4.734,"moe2D_KierA2":1.464,"moe2D_KierA3":0.4973,"moe2D_KierFlex":0.6933,"moe2D_PEOE_PC.":0.4821,"moe2D_PEOE_PC..1":-0.4821,"moe2D_PEOE_RPC.":0.1187,"moe2D_PEOE_RPC..1":0.1812,"moe2D_PEOE_VSA.0":34.12,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":49.02,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.5648,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.4352,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":117.6,"moe2D_PEOE_VSA_NEG":66.42,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":51.18,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.153,"moe2D_Q_PC..1":-1.153,"moe2D_Q_RPC.":0.1301,"moe2D_Q_RPC..1":0.25,"moe2D_Q_VSA_FHYD":0.5832,"moe2D_Q_VSA_FNEG":0.4168,"moe2D_Q_VSA_FPNEG":0.4168,"moe2D_Q_VSA_FPOL":0.4168,"moe2D_Q_VSA_FPOS":0.5832,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":68.59,"moe2D_Q_VSA_NEG":49.02,"moe2D_Q_VSA_PNEG":49.02,"moe2D_Q_VSA_POL":49.02,"moe2D_Q_VSA_POS":68.59,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.147,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":17.64,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":108.3,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":2.385,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":17.64,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":0,"moe2D_VAdjEq":0.795,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":1.872,"moe2D_VDistMa":6.354,"moe2D_Weight":132.2,"moe2D_a_IC":21.87,"moe2D_a_ICM":0.994,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":22,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":25.6,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":24,"moe2D_b_double":2,"moe2D_b_heavy":12,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":22,"moe2D_b_triple":0,"moe2D_balabanJ":1.931,"moe2D_bpol":13.12,"moe2D_chi0":6.552,"moe2D_chi0_C":6.552,"moe2D_chi0v":6.033,"moe2D_chi0v_C":6.033,"moe2D_chi1":4.949,"moe2D_chi1_C":4.949,"moe2D_chi1v":4.3,"moe2D_chi1v_C":4.3,"moeGao_chi2_C":4.592,"moeGao_chi2v_C":3.853,"moeGao_chi3c":0.6055,"moeGao_chi3c_C":0.6055,"moeGao_chi3cv":0.5194,"moeGao_chi3cv_C":0.5194,"moeGao_chi3p":4.35,"moeGao_chi3p_C":4.35,"moeGao_chi3pv":3.455,"moeGao_chi3pv_C":3.455,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.761,"moeGao_chi4ca_C":2.761,"moeGao_chi4cav":2.03,"moeGao_chi4cav_C":2.03,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.783,"moeGao_chi4pc_C":1.783,"moeGao_chi4pcv":1.406,"moeGao_chi4pcv_C":1.406,"moe2D_chiral":4,"moe2D_chiral_u":4,"moe2D_density":0.6459,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":9.695,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":2.815,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":3.823,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.883,"moe2D_logS":-2.359,"moe2D_mr":4.125,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":3,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":3,"moe2D_vdw_area":117.6,"moe2D_vdw_vol":204.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":103.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":98,"moe2D_weinerPol":10,"moe2D_zagreb":60}
{"Molecule":"diethyl","moeGao_Abra_L":7.072,"moeGao_Abra_R":1.204,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.807,"moeGao_Abra_pi":1.391,"moe2D_BCUT_PEOE_0":-2.382,"moe2D_BCUT_PEOE_1":-0.3973,"moe2D_BCUT_PEOE_2":0.3854,"moe2D_BCUT_PEOE_3":2.386,"moe2D_BCUT_SLOGP_0":-2.404,"moe2D_BCUT_SLOGP_1":-0.2802,"moe2D_BCUT_SLOGP_2":0.4889,"moe2D_BCUT_SLOGP_3":2.385,"moe2D_BCUT_SMR_0":-2.152,"moe2D_BCUT_SMR_1":-0.2127,"moe2D_BCUT_SMR_2":0.5718,"moe2D_BCUT_SMR_3":2.63,"moe2D_GCUT_PEOE_0":-0.7622,"moe2D_GCUT_PEOE_1":-0.3803,"moe2D_GCUT_PEOE_2":-0.03881,"moe2D_GCUT_PEOE_3":2.275,"moe2D_GCUT_SLOGP_0":-0.8354,"moe2D_GCUT_SLOGP_1":-0.2265,"moe2D_GCUT_SLOGP_2":0.06213,"moe2D_GCUT_SLOGP_3":2.311,"moe2D_GCUT_SMR_0":-0.5144,"moe2D_GCUT_SMR_1":-0.1571,"moe2D_GCUT_SMR_2":0.11,"moe2D_GCUT_SMR_3":2.537,"moe2D_Kier1":14.06,"moe2D_Kier2":7.35,"moe2D_Kier3":4.077,"moe2D_KierA1":10.59,"moe2D_KierA2":5.423,"moe2D_KierA3":2.961,"moe2D_KierFlex":3.591,"moe2D_PEOE_PC.":1.442,"moe2D_PEOE_PC..1":-1.442,"moe2D_PEOE_RPC.":0.2043,"moe2D_PEOE_RPC..1":0.2162,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":68.44,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":62.01,"moe2D_PEOE_VSA.1.1":24.51,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.7457,"moe2D_PEOE_VSA_FNEG":0.4901,"moe2D_PEOE_VSA_FPNEG":0.1328,"moe2D_PEOE_VSA_FPOL":0.2543,"moe2D_PEOE_VSA_FPOS":0.5099,"moe2D_PEOE_VSA_FPPOS":0.1215,"moe2D_PEOE_VSA_HYD":180.6,"moe2D_PEOE_VSA_NEG":118.7,"moe2D_PEOE_VSA_PNEG":32.14,"moe2D_PEOE_VSA_POL":61.56,"moe2D_PEOE_VSA_POS":123.5,"moe2D_PEOE_VSA_PPOS":29.42,"moe2D_Q_PC.":2.6,"moe2D_Q_PC..1":-2.6,"moe2D_Q_RPC.":0.2438,"moe2D_Q_RPC..1":0.2192,"moe2D_Q_VSA_FHYD":0.6222,"moe2D_Q_VSA_FNEG":0.3352,"moe2D_Q_VSA_FPNEG":0.1328,"moe2D_Q_VSA_FPOL":0.3778,"moe2D_Q_VSA_FPOS":0.6648,"moe2D_Q_VSA_FPPOS":0.245,"moe2D_Q_VSA_HYD":150.6,"moe2D_Q_VSA_NEG":81.16,"moe2D_Q_VSA_PNEG":32.14,"moe2D_Q_VSA_POL":91.46,"moe2D_Q_VSA_POS":160.9,"moe2D_Q_VSA_PPOS":59.32,"moe2D_SMR":5.836,"moe2D_SMR_VSA0":69.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":57.34,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.04,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":22,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":54.1,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":52.6,"moe2D_VAdjEq":0.5436,"moe2D_VAdjMa":5,"moe2D_VDistEq":2.854,"moe2D_VDistMa":7.716,"moe2D_Weight":222.2,"moe2D_a_IC":42.88,"moe2D_a_ICM":1.429,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":30,"moe2D_a_don":0,"moe2D_a_heavy":16,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":33.66,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.25,"moe2D_b_ar":6,"moe2D_b_count":30,"moe2D_b_double":2,"moe2D_b_heavy":16,"moe2D_b_rotN":6,"moe2D_b_rotR":0.375,"moe2D_b_single":22,"moe2D_b_triple":0,"moe2D_balabanJ":2.572,"moe2D_bpol":21.05,"moe2D_chi0":11.97,"moe2D_chi0_C":8.552,"moe2D_chi0v":9.357,"moe2D_chi0v_C":7.724,"moe2D_chi1":7.702,"moe2D_chi1_C":4.731,"moe2D_chi1v":5.135,"moe2D_chi1v_C":3.742,"moeGao_chi2_C":2.612,"moeGao_chi2v_C":1.546,"moeGao_chi3c":0.7436,"moeGao_chi3c_C":0.2722,"moeGao_chi3cv":0.2277,"moeGao_chi3cv_C":0.1443,"moeGao_chi3p":4.825,"moeGao_chi3p_C":1.875,"moeGao_chi3pv":1.918,"moeGao_chi3pv_C":0.9271,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.94,"moeGao_chi4ca_C":1.188,"moeGao_chi4cav":1.257,"moeGao_chi4cav_C":0.4831,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.945,"moeGao_chi4pc_C":0.542,"moeGao_chi4pcv":0.5054,"moeGao_chi4pcv_C":0.2388,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.743,"moe2D_diameter":9,"moe2D_kS_aaCH":6.443,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.4774,"moe2D_kS_dCH2":0,"moe2D_kS_dO":23.09,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-1.016,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.426,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.5476,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":9.7,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.468,"moe2D_logS":-2.803,"moe2D_mr":6.073,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":242.1,"moe2D_vdw_vol":299.1,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":170.6,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":446,"moe2D_weinerPol":22,"moe2D_zagreb":72}
{"Molecule":"diethyl-(+)-tartrate-(diethyl","moeGao_Abra_L":5.644,"moeGao_Abra_R":0.858,"moeGao_Abra_acidity":0.309,"moeGao_Abra_basicity":1.263,"moeGao_Abra_pi":1.35,"moe2D_BCUT_PEOE_0":-2.457,"moe2D_BCUT_PEOE_1":-0.3697,"moe2D_BCUT_PEOE_2":0.4909,"moe2D_BCUT_PEOE_3":2.588,"moe2D_BCUT_SLOGP_0":-2.679,"moe2D_BCUT_SLOGP_1":-0.4452,"moe2D_BCUT_SLOGP_2":0.4107,"moe2D_BCUT_SLOGP_3":2.395,"moe2D_BCUT_SMR_0":-2.255,"moe2D_BCUT_SMR_1":-0.2952,"moe2D_BCUT_SMR_2":0.5538,"moe2D_BCUT_SMR_3":2.761,"moe2D_GCUT_PEOE_0":-0.7651,"moe2D_GCUT_PEOE_1":-0.3815,"moe2D_GCUT_PEOE_2":0.06529,"moe2D_GCUT_PEOE_3":2.257,"moe2D_GCUT_SLOGP_0":-0.9593,"moe2D_GCUT_SLOGP_1":-0.428,"moe2D_GCUT_SLOGP_2":-0.01088,"moe2D_GCUT_SLOGP_3":2.117,"moe2D_GCUT_SMR_0":-0.5167,"moe2D_GCUT_SMR_1":-0.1932,"moe2D_GCUT_SMR_2":0.1108,"moe2D_GCUT_SMR_3":2.444,"moe2D_Kier1":14,"moe2D_Kier2":7.312,"moe2D_Kier3":4.889,"moe2D_KierA1":12.19,"moe2D_KierA2":6.295,"moe2D_KierA3":4.172,"moe2D_KierFlex":5.482,"moe2D_PEOE_PC.":1.99,"moe2D_PEOE_PC..1":-1.99,"moe2D_PEOE_RPC.":0.1478,"moe2D_PEOE_RPC..1":0.1903,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":55.49,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":9.81,"moe2D_PEOE_VSA.4":20.65,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":20.54,"moe2D_PEOE_VSA_FHYD":0.5678,"moe2D_PEOE_VSA_FNEG":0.3766,"moe2D_PEOE_VSA_FPNEG":0.2108,"moe2D_PEOE_VSA_FPOL":0.4322,"moe2D_PEOE_VSA_FPOS":0.6234,"moe2D_PEOE_VSA_FPPOS":0.2214,"moe2D_PEOE_VSA_HYD":128.4,"moe2D_PEOE_VSA_NEG":85.17,"moe2D_PEOE_VSA_PNEG":47.68,"moe2D_PEOE_VSA_POL":97.74,"moe2D_PEOE_VSA_POS":141,"moe2D_PEOE_VSA_PPOS":50.07,"moe2D_Q_PC.":3.36,"moe2D_Q_PC..1":-3.36,"moe2D_Q_RPC.":0.1961,"moe2D_Q_RPC..1":0.2024,"moe2D_Q_VSA_FHYD":0.3922,"moe2D_Q_VSA_FNEG":0.2108,"moe2D_Q_VSA_FPNEG":0.2108,"moe2D_Q_VSA_FPOL":0.6078,"moe2D_Q_VSA_FPOS":0.7892,"moe2D_Q_VSA_FPPOS":0.397,"moe2D_Q_VSA_HYD":88.68,"moe2D_Q_VSA_NEG":47.68,"moe2D_Q_VSA_PNEG":47.68,"moe2D_Q_VSA_POL":137.5,"moe2D_Q_VSA_POS":178.5,"moe2D_Q_VSA_PPOS":89.78,"moe2D_SMR":4.528,"moe2D_SMR_VSA0":69.72,"moe2D_SMR_VSA1":50.77,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":12.94,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":57.34,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":-1.166,"moe2D_SlogP_VSA0":50.77,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":82.66,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":93.06,"moe2D_VAdjEq":0.5647,"moe2D_VAdjMa":4.7,"moe2D_VDistEq":2.862,"moe2D_VDistMa":7.305,"moe2D_Weight":206.2,"moe2D_a_IC":41.79,"moe2D_a_ICM":1.493,"moe2D_a_acc":4,"moe2D_a_aro":0,"moe2D_a_count":28,"moe2D_a_don":2,"moe2D_a_heavy":14,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":6,"moe2D_apol":28.23,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.3846,"moe2D_b_ar":0,"moe2D_b_count":27,"moe2D_b_double":2,"moe2D_b_heavy":13,"moe2D_b_rotN":7,"moe2D_b_rotR":0.5385,"moe2D_b_single":25,"moe2D_b_triple":0,"moe2D_balabanJ":4.028,"moe2D_bpol":21.05,"moe2D_chi0":11.14,"moe2D_chi0_C":5.724,"moe2D_chi0v":8.096,"moe2D_chi0v_C":5.569,"moe2D_chi1":6.54,"moe2D_chi1_C":2.414,"moe2D_chi1v":4.235,"moe2D_chi1v_C":2.325,"moeGao_chi2_C":0.3849,"moeGao_chi2v_C":0.3333,"moeGao_chi3c":0.8563,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2453,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.113,"moeGao_chi3p_C":0.1111,"moeGao_chi3pv":1.355,"moeGao_chi3pv_C":0.08333,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.473,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.7131,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.341,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.4295,"moeGao_chi4pcv_C":0,"moe2D_chiral":2,"moe2D_chiral_u":2,"moe2D_density":0.8246,"moe2D_diameter":9,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":21.71,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-2.096,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.086,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":18.18,"moe2D_kS_ssCH2":0.1219,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":8.793,"moe2D_kS_sssCH":-3.789,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":6,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.636,"moe2D_logS":-0.6562,"moe2D_mr":4.734,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":226.1,"moe2D_vdw_vol":250.1,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":119.9,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":54.27,"moe2D_weinerPath":331,"moe2D_weinerPol":18,"moe2D_zagreb":58}
{"Molecule":"diethyladipate","moeGao_Abra_L":5.944,"moeGao_Abra_R":0.572,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.763,"moeGao_Abra_pi":0.989,"moe2D_BCUT_PEOE_0":-2.574,"moe2D_BCUT_PEOE_1":-0.2304,"moe2D_BCUT_PEOE_2":0.0563,"moe2D_BCUT_PEOE_3":2.592,"moe2D_BCUT_SLOGP_0":-2.514,"moe2D_BCUT_SLOGP_1":-0.08966,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.683,"moe2D_BCUT_SMR_0":-2.347,"moe2D_BCUT_SMR_1":0.04734,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.819,"moe2D_GCUT_PEOE_0":-0.7713,"moe2D_GCUT_PEOE_1":-0.3826,"moe2D_GCUT_PEOE_2":-0.1037,"moe2D_GCUT_PEOE_3":2.324,"moe2D_GCUT_SLOGP_0":-0.8474,"moe2D_GCUT_SLOGP_1":-0.2689,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.368,"moe2D_GCUT_SMR_0":-0.5275,"moe2D_GCUT_SMR_1":-0.1314,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.531,"moe2D_Kier1":14,"moe2D_Kier2":9.551,"moe2D_Kier3":9.373,"moe2D_KierA1":12.19,"moe2D_KierA2":8.222,"moe2D_KierA3":7.998,"moe2D_KierFlex":7.16,"moe2D_PEOE_PC.":1.33,"moe2D_PEOE_PC..1":-1.33,"moe2D_PEOE_RPC.":0.1971,"moe2D_PEOE_RPC..1":0.2372,"moe2D_PEOE_VSA.0":77.12,"moe2D_PEOE_VSA.1":46.96,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":54.9,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.7441,"moe2D_PEOE_VSA_FNEG":0.3619,"moe2D_PEOE_VSA_FPNEG":0.1336,"moe2D_PEOE_VSA_FPOL":0.2559,"moe2D_PEOE_VSA_FPOS":0.6381,"moe2D_PEOE_VSA_FPPOS":0.1223,"moe2D_PEOE_VSA_HYD":179,"moe2D_PEOE_VSA_NEG":87.04,"moe2D_PEOE_VSA_PNEG":32.14,"moe2D_PEOE_VSA_POL":61.56,"moe2D_PEOE_VSA_POS":153.5,"moe2D_PEOE_VSA_PPOS":29.42,"moe2D_Q_PC.":2,"moe2D_Q_PC..1":-2,"moe2D_Q_RPC.":0.3295,"moe2D_Q_RPC..1":0.285,"moe2D_Q_VSA_FHYD":0.6198,"moe2D_Q_VSA_FNEG":0.1336,"moe2D_Q_VSA_FPNEG":0.1336,"moe2D_Q_VSA_FPOL":0.3802,"moe2D_Q_VSA_FPOS":0.8664,"moe2D_Q_VSA_FPPOS":0.2466,"moe2D_Q_VSA_HYD":149.1,"moe2D_Q_VSA_NEG":32.14,"moe2D_Q_VSA_PNEG":32.14,"moe2D_Q_VSA_POL":91.46,"moe2D_Q_VSA_POS":208.4,"moe2D_Q_VSA_PPOS":59.32,"moe2D_SMR":5.173,"moe2D_SMR_VSA0":69.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":57.34,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":1.673,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":69.72,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":52.6,"moe2D_VAdjEq":0.5647,"moe2D_VAdjMa":4.7,"moe2D_VDistEq":3.231,"moe2D_VDistMa":7.247,"moe2D_Weight":202.2,"moe2D_a_IC":43.72,"moe2D_a_ICM":1.366,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":32,"moe2D_a_don":0,"moe2D_a_heavy":14,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":18,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":32.81,"moe2D_b_1rotN":7,"moe2D_b_1rotR":0.5385,"moe2D_b_ar":0,"moe2D_b_count":31,"moe2D_b_double":2,"moe2D_b_heavy":13,"moe2D_b_rotN":9,"moe2D_b_rotR":0.6923,"moe2D_b_single":29,"moe2D_b_triple":0,"moe2D_balabanJ":3.203,"moe2D_bpol":25.43,"moe2D_chi0":10.81,"moe2D_chi0_C":7.397,"moe2D_chi0v":8.876,"moe2D_chi0v_C":7.243,"moe2D_chi1":6.702,"moe2D_chi1_C":3.731,"moe2D_chi1v":5.015,"moe2D_chi1v_C":3.621,"moeGao_chi2_C":1.284,"moeGao_chi2v_C":1.207,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.207,"moeGao_chi3p_C":0.6582,"moeGao_chi3pv":1.622,"moeGao_chi3pv_C":0.6036,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.26,"moeGao_chi4ca_C":0.2887,"moeGao_chi4cav":1.005,"moeGao_chi4cav_C":0.25,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1667,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7175,"moe2D_diameter":11,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":21.75,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.3956,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.549,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":2.948,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":9.483,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.57,"moe2D_logS":-1.229,"moe2D_mr":5.438,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":7,"moe2D_opr_violation":0,"moe2D_petitjean":0.4545,"moe2D_petitjeanSC":0.8333,"moe2D_radius":6,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":240.5,"moe2D_vdw_vol":281.9,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":166.2,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":401,"moe2D_weinerPol":13,"moe2D_zagreb":54}
{"Molecule":"diethylamine","moeGao_Abra_L":2.338,"moeGao_Abra_R":0.178,"moeGao_Abra_acidity":0.117,"moeGao_Abra_basicity":0.626,"moeGao_Abra_pi":0.392,"moe2D_BCUT_PEOE_0":-2.57,"moe2D_BCUT_PEOE_1":0.02419,"moe2D_BCUT_PEOE_2":0.04213,"moe2D_BCUT_PEOE_3":2.457,"moe2D_BCUT_SLOGP_0":-2.695,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.428,"moe2D_BCUT_SMR_0":-2.291,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.727,"moe2D_GCUT_PEOE_0":-0.8542,"moe2D_GCUT_PEOE_1":-0.1358,"moe2D_GCUT_PEOE_2":-0.1179,"moe2D_GCUT_PEOE_3":1.957,"moe2D_GCUT_SLOGP_0":-1.152,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.956,"moe2D_GCUT_SMR_0":-0.5164,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.183,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":4,"moe2D_KierA3":4,"moe2D_KierFlex":4,"moe2D_PEOE_PC.":0.4356,"moe2D_PEOE_PC..1":-0.4356,"moe2D_PEOE_RPC.":0.2799,"moe2D_PEOE_RPC..1":0.7266,"moe2D_PEOE_VSA.0":42.65,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.619,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":26.38,"moe2D_PEOE_VSA.1.1":37.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0.1369,"moe2D_PEOE_VSA_FHYD":0.9988,"moe2D_PEOE_VSA_FNEG":0.5553,"moe2D_PEOE_VSA_FPNEG":0.00119,"moe2D_PEOE_VSA_FPOL":0.00119,"moe2D_PEOE_VSA_FPOS":0.4447,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":115.2,"moe2D_PEOE_VSA_NEG":64.02,"moe2D_PEOE_VSA_PNEG":0.1369,"moe2D_PEOE_VSA_POL":0.1369,"moe2D_PEOE_VSA_POS":51.27,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.9,"moe2D_Q_PC..1":-0.9,"moe2D_Q_RPC.":0.4,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.6952,"moe2D_Q_VSA_FNEG":0.00119,"moe2D_Q_VSA_FPNEG":0.00119,"moe2D_Q_VSA_FPOL":0.3048,"moe2D_Q_VSA_FPOS":0.9988,"moe2D_Q_VSA_FPPOS":0.3036,"moe2D_Q_VSA_HYD":80.15,"moe2D_Q_VSA_NEG":0.1369,"moe2D_Q_VSA_PNEG":0.1369,"moe2D_Q_VSA_POL":35.14,"moe2D_Q_VSA_POS":115.2,"moe2D_Q_VSA_PPOS":35,"moe2D_SMR":2.422,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":18.01,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":36.88,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.6158,"moe2D_SlogP_VSA0":18.01,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":36.88,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":12.03,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":73.14,"moe2D_a_IC":17.95,"moe2D_a_ICM":1.122,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":15.47,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.191,"moe2D_bpol":12.69,"moe2D_chi0":4.121,"moe2D_chi0_C":3.414,"moe2D_chi0v":3.914,"moe2D_chi0v_C":3.414,"moe2D_chi1":2.414,"moe2D_chi1_C":1.414,"moe2D_chi1v":2.121,"moe2D_chi1v_C":1.414,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.5,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.25,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5718,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.201,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":2.188,"moe2D_kS_ssNH":3.111,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.581,"moe2D_logS":-0.0119,"moe2D_mr":2.393,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":115.3,"moe2D_vdw_vol":127.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":99.42,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"diethyleneglycol","moeGao_Abra_L":3.686,"moeGao_Abra_R":0.442,"moeGao_Abra_acidity":0.542,"moeGao_Abra_basicity":0.896,"moeGao_Abra_pi":0.822,"moe2D_BCUT_PEOE_0":-2.493,"moe2D_BCUT_PEOE_1":-0.5234,"moe2D_BCUT_PEOE_2":0.5337,"moe2D_BCUT_PEOE_3":2.468,"moe2D_BCUT_SLOGP_0":-2.604,"moe2D_BCUT_SLOGP_1":-0.543,"moe2D_BCUT_SLOGP_2":0.4294,"moe2D_BCUT_SLOGP_3":2.349,"moe2D_BCUT_SMR_0":-2.263,"moe2D_BCUT_SMR_1":-0.3624,"moe2D_BCUT_SMR_2":0.6062,"moe2D_BCUT_SMR_3":2.681,"moe2D_GCUT_PEOE_0":-0.8068,"moe2D_GCUT_PEOE_1":-0.3769,"moe2D_GCUT_PEOE_2":0.1072,"moe2D_GCUT_PEOE_3":1.958,"moe2D_GCUT_SLOGP_0":-0.91,"moe2D_GCUT_SLOGP_1":-0.4266,"moe2D_GCUT_SLOGP_2":-0.01332,"moe2D_GCUT_SLOGP_3":1.877,"moe2D_GCUT_SMR_0":-0.5194,"moe2D_GCUT_SMR_1":-0.2206,"moe2D_GCUT_SMR_2":0.1493,"moe2D_GCUT_SMR_3":2.149,"moe2D_Kier1":7,"moe2D_Kier2":6,"moe2D_Kier3":6,"moe2D_KierA1":7,"moe2D_KierA2":6,"moe2D_KierA3":6,"moe2D_KierFlex":6,"moe2D_PEOE_PC.":1.161,"moe2D_PEOE_PC..1":-1.161,"moe2D_PEOE_RPC.":0.1805,"moe2D_PEOE_RPC..1":0.3384,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":93.93,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":20.65,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":18.04,"moe2D_PEOE_VSA_FHYD":0.7083,"moe2D_PEOE_VSA_FNEG":0.136,"moe2D_PEOE_VSA_FPNEG":0.136,"moe2D_PEOE_VSA_FPOL":0.2917,"moe2D_PEOE_VSA_FPOS":0.864,"moe2D_PEOE_VSA_FPPOS":0.1557,"moe2D_PEOE_VSA_HYD":93.93,"moe2D_PEOE_VSA_NEG":18.04,"moe2D_PEOE_VSA_PNEG":18.04,"moe2D_PEOE_VSA_POL":38.69,"moe2D_PEOE_VSA_POS":114.6,"moe2D_PEOE_VSA_PPOS":20.65,"moe2D_Q_PC.":1.92,"moe2D_Q_PC..1":-1.92,"moe2D_Q_RPC.":0.2083,"moe2D_Q_RPC..1":0.3542,"moe2D_Q_VSA_FHYD":0.2573,"moe2D_Q_VSA_FNEG":0.136,"moe2D_Q_VSA_FPNEG":0.136,"moe2D_Q_VSA_FPOL":0.7427,"moe2D_Q_VSA_FPOS":0.864,"moe2D_Q_VSA_FPPOS":0.6067,"moe2D_Q_VSA_HYD":34.12,"moe2D_Q_VSA_NEG":18.04,"moe2D_Q_VSA_PNEG":18.04,"moe2D_Q_VSA_POL":98.49,"moe2D_Q_VSA_POS":114.6,"moe2D_Q_VSA_PPOS":80.45,"moe2D_SMR":2.499,"moe2D_SMR_VSA0":11,"moe2D_SMR_VSA1":50.77,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":83.71,"moe2D_SMR_VSA7":0,"moe2D_SlogP":-1.012,"moe2D_SlogP_VSA0":50.77,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":83.71,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":49.69,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":2.398,"moe2D_VDistMa":5.169,"moe2D_Weight":106.1,"moe2D_a_IC":23.51,"moe2D_a_ICM":1.383,"moe2D_a_acc":3,"moe2D_a_aro":0,"moe2D_a_count":17,"moe2D_a_don":2,"moe2D_a_heavy":7,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":3,"moe2D_apol":16.11,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.6667,"moe2D_b_ar":0,"moe2D_b_count":16,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":4,"moe2D_b_rotR":0.6667,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":2.447,"moe2D_bpol":12.85,"moe2D_chi0":5.536,"moe2D_chi0_C":2.828,"moe2D_chi0v":4.131,"moe2D_chi0v_C":2.828,"moe2D_chi1":3.414,"moe2D_chi1_C":1,"moe2D_chi1v":2.21,"moe2D_chi1v_C":1,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.207,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.4712,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6768,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2312,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7617,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":16.17,"moe2D_kS_ssCH2":0.6956,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.632,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-1.18,"moe2D_logS":0.6719,"moe2D_mr":2.592,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":132.6,"moe2D_vdw_vol":139.3,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":88.23,"moe2D_vsa_other":0,"moe2D_vsa_pol":29.64,"moe2D_weinerPath":56,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"diethylether(ether)","moeGao_Abra_L":2.13,"moeGao_Abra_R":0.054,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.296,"moeGao_Abra_pi":0.312,"moe2D_BCUT_PEOE_0":-2.488,"moe2D_BCUT_PEOE_1":-0.03627,"moe2D_BCUT_PEOE_2":0.05569,"moe2D_BCUT_PEOE_3":2.425,"moe2D_BCUT_SLOGP_0":-2.48,"moe2D_BCUT_SLOGP_1":0.09095,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.445,"moe2D_BCUT_SMR_0":-2.245,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1062,"moe2D_BCUT_SMR_3":2.657,"moe2D_GCUT_PEOE_0":-0.8197,"moe2D_GCUT_PEOE_1":-0.1994,"moe2D_GCUT_PEOE_2":-0.1043,"moe2D_GCUT_PEOE_3":1.882,"moe2D_GCUT_SLOGP_0":-0.8285,"moe2D_GCUT_SLOGP_1":-0.08945,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.924,"moe2D_GCUT_SMR_0":-0.5204,"moe2D_GCUT_SMR_1":-0.06963,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.084,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":4,"moe2D_KierA3":4,"moe2D_KierFlex":4,"moe2D_PEOE_PC.":0.4634,"moe2D_PEOE_PC..1":-0.4634,"moe2D_PEOE_RPC.":0.1202,"moe2D_PEOE_RPC..1":0.8206,"moe2D_PEOE_VSA.0":55.49,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.9778,"moe2D_PEOE_VSA_FNEG":0.3554,"moe2D_PEOE_VSA_FPNEG":0.02224,"moe2D_PEOE_VSA_FPOL":0.02224,"moe2D_PEOE_VSA_FPOS":0.6446,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":110.1,"moe2D_PEOE_VSA_NEG":40,"moe2D_PEOE_VSA_PNEG":2.504,"moe2D_PEOE_VSA_POL":2.504,"moe2D_PEOE_VSA_POS":72.56,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.56,"moe2D_Q_PC..1":-0.56,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7121,"moe2D_Q_VSA_FNEG":0.02224,"moe2D_Q_VSA_FPNEG":0.02224,"moe2D_Q_VSA_FPOL":0.2879,"moe2D_Q_VSA_FPOS":0.9778,"moe2D_Q_VSA_FPPOS":0.2657,"moe2D_Q_VSA_HYD":80.15,"moe2D_Q_VSA_NEG":2.504,"moe2D_Q_VSA_PNEG":2.504,"moe2D_Q_VSA_POL":32.41,"moe2D_Q_VSA_POS":110.1,"moe2D_Q_VSA_PPOS":29.9,"moe2D_SMR":2.217,"moe2D_SMR_VSA0":11,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":41.85,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":1.043,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":9.23,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":74.12,"moe2D_a_IC":17.38,"moe2D_a_ICM":1.159,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":15,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":14.51,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.191,"moe2D_bpol":12.85,"moe2D_chi0":4.121,"moe2D_chi0_C":3.414,"moe2D_chi0v":3.822,"moe2D_chi0v_C":3.414,"moe2D_chi1":2.414,"moe2D_chi1_C":1.414,"moe2D_chi1v":1.992,"moe2D_chi1v_C":1.414,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.4082,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2041,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6062,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.979,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.688,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.833,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.89,"moe2D_logS":-0.3876,"moe2D_mr":2.283,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":112.6,"moe2D_vdw_vol":122.3,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":102.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":2.504,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"diethylmalonate","moeGao_Abra_L":4.447,"moeGao_Abra_R":0.572,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.763,"moeGao_Abra_pi":0.989,"moe2D_BCUT_PEOE_0":-2.406,"moe2D_BCUT_PEOE_1":-0.23,"moe2D_BCUT_PEOE_2":0.0563,"moe2D_BCUT_PEOE_3":2.456,"moe2D_BCUT_SLOGP_0":-2.463,"moe2D_BCUT_SLOGP_1":-0.08983,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.402,"moe2D_BCUT_SMR_0":-2.183,"moe2D_BCUT_SMR_1":0.04732,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.667,"moe2D_GCUT_PEOE_0":-0.767,"moe2D_GCUT_PEOE_1":-0.3828,"moe2D_GCUT_PEOE_2":-0.1037,"moe2D_GCUT_PEOE_3":2.078,"moe2D_GCUT_SLOGP_0":-0.8497,"moe2D_GCUT_SLOGP_1":-0.2694,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.031,"moe2D_GCUT_SMR_0":-0.5152,"moe2D_GCUT_SMR_1":-0.1317,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.28,"moe2D_Kier1":11,"moe2D_Kier2":6.694,"moe2D_Kier3":6.4,"moe2D_KierA1":9.189,"moe2D_KierA2":5.482,"moe2D_KierA3":5.147,"moe2D_KierFlex":4.579,"moe2D_PEOE_PC.":1.241,"moe2D_PEOE_PC..1":-1.241,"moe2D_PEOE_RPC.":0.219,"moe2D_PEOE_RPC..1":0.2539,"moe2D_PEOE_VSA.0":34.12,"moe2D_PEOE_VSA.1":46.96,"moe2D_PEOE_VSA.2":8.701,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.674,"moe2D_PEOE_VSA_FNEG":0.3688,"moe2D_PEOE_VSA_FPNEG":0.1702,"moe2D_PEOE_VSA_FPOL":0.326,"moe2D_PEOE_VSA_FPOS":0.6312,"moe2D_PEOE_VSA_FPPOS":0.1558,"moe2D_PEOE_VSA_HYD":127.3,"moe2D_PEOE_VSA_NEG":69.64,"moe2D_PEOE_VSA_PNEG":32.14,"moe2D_PEOE_VSA_POL":61.56,"moe2D_PEOE_VSA_POS":119.2,"moe2D_PEOE_VSA_PPOS":29.42,"moe2D_Q_PC.":2,"moe2D_Q_PC..1":-2,"moe2D_Q_RPC.":0.3295,"moe2D_Q_RPC..1":0.285,"moe2D_Q_VSA_FHYD":0.5157,"moe2D_Q_VSA_FNEG":0.1702,"moe2D_Q_VSA_FPNEG":0.1702,"moe2D_Q_VSA_FPOL":0.4843,"moe2D_Q_VSA_FPOS":0.8298,"moe2D_Q_VSA_FPPOS":0.3141,"moe2D_Q_VSA_HYD":97.38,"moe2D_Q_VSA_NEG":32.14,"moe2D_Q_VSA_PNEG":32.14,"moe2D_Q_VSA_POL":91.46,"moe2D_Q_VSA_POS":156.7,"moe2D_Q_VSA_PPOS":59.32,"moe2D_SMR":3.788,"moe2D_SMR_VSA0":69.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":57.34,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.5027,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":69.72,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":52.6,"moe2D_VAdjEq":0.6468,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.748,"moe2D_VDistMa":6.567,"moe2D_Weight":160.2,"moe2D_a_IC":33.37,"moe2D_a_ICM":1.451,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":23,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":23.53,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.4,"moe2D_b_ar":0,"moe2D_b_count":22,"moe2D_b_double":2,"moe2D_b_heavy":10,"moe2D_b_rotN":6,"moe2D_b_rotR":0.6,"moe2D_b_single":20,"moe2D_b_triple":0,"moe2D_balabanJ":3.346,"moe2D_bpol":18.87,"moe2D_chi0":8.69,"moe2D_chi0_C":5.276,"moe2D_chi0v":6.754,"moe2D_chi0v_C":5.121,"moe2D_chi1":5.202,"moe2D_chi1_C":2.231,"moe2D_chi1v":3.515,"moe2D_chi1v_C":2.121,"moeGao_chi2_C":0.2357,"moeGao_chi2v_C":0.1768,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.368,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.8993,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.908,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.5419,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.7416,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1423,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7679,"moe2D_diameter":8,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":21.21,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-1.072,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.367,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.2898,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":9.038,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.598,"moe2D_logS":-0.9432,"moe2D_mr":4.028,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":188.8,"moe2D_vdw_vol":208.6,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":118.7,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":184,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"diethylsebacate(ethyl","moeGao_Abra_L":7.94,"moeGao_Abra_R":0.572,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.763,"moeGao_Abra_pi":0.989,"moe2D_BCUT_PEOE_0":-2.6,"moe2D_BCUT_PEOE_1":-0.2299,"moe2D_BCUT_PEOE_2":0.05658,"moe2D_BCUT_PEOE_3":2.603,"moe2D_BCUT_SLOGP_0":-2.543,"moe2D_BCUT_SLOGP_1":-0.08954,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.689,"moe2D_BCUT_SMR_0":-2.368,"moe2D_BCUT_SMR_1":0.04735,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.833,"moe2D_GCUT_PEOE_0":-0.786,"moe2D_GCUT_PEOE_1":-0.3725,"moe2D_GCUT_PEOE_2":-0.1034,"moe2D_GCUT_PEOE_3":2.457,"moe2D_GCUT_SLOGP_0":-0.8475,"moe2D_GCUT_SLOGP_1":-0.2651,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.515,"moe2D_GCUT_SMR_0":-0.5318,"moe2D_GCUT_SMR_1":-0.1311,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.665,"moe2D_Kier1":18,"moe2D_Kier2":13.43,"moe2D_Kier3":13.29,"moe2D_KierA1":16.19,"moe2D_KierA2":12,"moe2D_KierA3":11.82,"moe2D_KierFlex":10.8,"moe2D_PEOE_PC.":1.544,"moe2D_PEOE_PC..1":-1.544,"moe2D_PEOE_RPC.":0.1698,"moe2D_PEOE_RPC..1":0.2042,"moe2D_PEOE_VSA.0":111.2,"moe2D_PEOE_VSA.1":46.96,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":34.81,"moe2D_PEOE_VSA.1.1":54.9,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.8011,"moe2D_PEOE_VSA_FNEG":0.3937,"moe2D_PEOE_VSA_FPNEG":0.1039,"moe2D_PEOE_VSA_FPOL":0.1989,"moe2D_PEOE_VSA_FPOS":0.6063,"moe2D_PEOE_VSA_FPPOS":0.09506,"moe2D_PEOE_VSA_HYD":247.9,"moe2D_PEOE_VSA_NEG":121.8,"moe2D_PEOE_VSA_PNEG":32.14,"moe2D_PEOE_VSA_POL":61.56,"moe2D_PEOE_VSA_POS":187.6,"moe2D_PEOE_VSA_PPOS":29.42,"moe2D_Q_PC.":2,"moe2D_Q_PC..1":-2,"moe2D_Q_RPC.":0.3295,"moe2D_Q_RPC..1":0.285,"moe2D_Q_VSA_FHYD":0.7045,"moe2D_Q_VSA_FNEG":0.1039,"moe2D_Q_VSA_FPNEG":0.1039,"moe2D_Q_VSA_FPOL":0.2955,"moe2D_Q_VSA_FPOS":0.8961,"moe2D_Q_VSA_FPPOS":0.1917,"moe2D_Q_VSA_HYD":218,"moe2D_Q_VSA_NEG":32.14,"moe2D_Q_VSA_PNEG":32.14,"moe2D_Q_VSA_POL":91.46,"moe2D_Q_VSA_POS":277.3,"moe2D_Q_VSA_PPOS":59.32,"moe2D_SMR":7.02,"moe2D_SMR_VSA0":69.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":150.9,"moe2D_SMR_VSA6":57.34,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":3.233,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":69.72,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":150.9,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":52.6,"moe2D_VAdjEq":0.4845,"moe2D_VAdjMa":5.087,"moe2D_VDistEq":3.642,"moe2D_VDistMa":7.973,"moe2D_Weight":258.4,"moe2D_a_IC":56.7,"moe2D_a_ICM":1.289,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":44,"moe2D_a_don":0,"moe2D_a_heavy":18,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":14,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":26,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":45.18,"moe2D_b_1rotN":11,"moe2D_b_1rotR":0.6471,"moe2D_b_ar":0,"moe2D_b_count":43,"moe2D_b_double":2,"moe2D_b_heavy":17,"moe2D_b_rotN":13,"moe2D_b_rotR":0.7647,"moe2D_b_single":41,"moe2D_b_triple":0,"moe2D_balabanJ":3.271,"moe2D_bpol":34.17,"moe2D_chi0":13.64,"moe2D_chi0_C":10.23,"moe2D_chi0v":11.7,"moe2D_chi0v_C":10.07,"moe2D_chi1":8.702,"moe2D_chi1_C":5.731,"moe2D_chi1v":7.015,"moe2D_chi1v_C":5.621,"moeGao_chi2_C":2.992,"moeGao_chi2v_C":2.914,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.245,"moeGao_chi3p_C":1.365,"moeGao_chi3pv":2.534,"moeGao_chi3pv_C":1.311,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.76,"moeGao_chi4ca_C":0.2887,"moeGao_chi4cav":1.344,"moeGao_chi4cav_C":0.25,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1667,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6806,"moe2D_diameter":15,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":22.47,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.3281,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.107,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":7.057,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":10.03,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.682,"moe2D_logS":-2.663,"moe2D_mr":7.305,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":11,"moe2D_opr_violation":1,"moe2D_petitjean":0.4667,"moe2D_petitjeanSC":0.875,"moe2D_radius":8,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":309.5,"moe2D_vdw_vol":379.6,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":229.4,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":859,"moe2D_weinerPol":17,"moe2D_zagreb":70}
{"Molecule":"diethylsuccinate","moeGao_Abra_L":4.946,"moeGao_Abra_R":0.572,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.763,"moeGao_Abra_pi":0.989,"moe2D_BCUT_PEOE_0":-2.448,"moe2D_BCUT_PEOE_1":-0.2304,"moe2D_BCUT_PEOE_2":0.0563,"moe2D_BCUT_PEOE_3":2.517,"moe2D_BCUT_SLOGP_0":-2.482,"moe2D_BCUT_SLOGP_1":-0.08968,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.502,"moe2D_BCUT_SMR_0":-2.23,"moe2D_BCUT_SMR_1":0.04734,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.727,"moe2D_GCUT_PEOE_0":-0.7651,"moe2D_GCUT_PEOE_1":-0.3828,"moe2D_GCUT_PEOE_2":-0.1037,"moe2D_GCUT_PEOE_3":2.171,"moe2D_GCUT_SLOGP_0":-0.8501,"moe2D_GCUT_SLOGP_1":-0.2691,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.157,"moe2D_GCUT_SMR_0":-0.5147,"moe2D_GCUT_SMR_1":-0.1316,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.375,"moe2D_Kier1":12,"moe2D_Kier2":7.639,"moe2D_Kier3":7.438,"moe2D_KierA1":10.19,"moe2D_KierA2":6.382,"moe2D_KierA3":6.134,"moe2D_KierFlex":5.419,"moe2D_PEOE_PC.":1.243,"moe2D_PEOE_PC..1":-1.243,"moe2D_PEOE_RPC.":0.2113,"moe2D_PEOE_RPC..1":0.2538,"moe2D_PEOE_VSA.0":60.06,"moe2D_PEOE_VSA.1":46.96,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.7013,"moe2D_PEOE_VSA_FNEG":0.3379,"moe2D_PEOE_VSA_FPNEG":0.156,"moe2D_PEOE_VSA_FPOL":0.2987,"moe2D_PEOE_VSA_FPOS":0.6621,"moe2D_PEOE_VSA_FPPOS":0.1427,"moe2D_PEOE_VSA_HYD":144.5,"moe2D_PEOE_VSA_NEG":69.64,"moe2D_PEOE_VSA_PNEG":32.14,"moe2D_PEOE_VSA_POL":61.56,"moe2D_PEOE_VSA_POS":136.4,"moe2D_PEOE_VSA_PPOS":29.42,"moe2D_Q_PC.":2,"moe2D_Q_PC..1":-2,"moe2D_Q_RPC.":0.3295,"moe2D_Q_RPC..1":0.285,"moe2D_Q_VSA_FHYD":0.5562,"moe2D_Q_VSA_FNEG":0.156,"moe2D_Q_VSA_FPNEG":0.156,"moe2D_Q_VSA_FPOL":0.4438,"moe2D_Q_VSA_FPOS":0.844,"moe2D_Q_VSA_FPPOS":0.2879,"moe2D_Q_VSA_HYD":114.6,"moe2D_Q_VSA_NEG":32.14,"moe2D_Q_VSA_PNEG":32.14,"moe2D_Q_VSA_POL":91.46,"moe2D_Q_VSA_POS":173.9,"moe2D_Q_VSA_PPOS":59.32,"moe2D_SMR":4.25,"moe2D_SMR_VSA0":69.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":57.34,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.8928,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":69.72,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":52.6,"moe2D_VAdjEq":0.6167,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.931,"moe2D_VDistMa":6.812,"moe2D_Weight":174.2,"moe2D_a_IC":36.91,"moe2D_a_ICM":1.42,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":26,"moe2D_a_don":0,"moe2D_a_heavy":12,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":26.62,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.4545,"moe2D_b_ar":0,"moe2D_b_count":25,"moe2D_b_double":2,"moe2D_b_heavy":11,"moe2D_b_rotN":7,"moe2D_b_rotR":0.6364,"moe2D_b_single":23,"moe2D_b_triple":0,"moe2D_balabanJ":3.286,"moe2D_bpol":21.05,"moe2D_chi0":9.397,"moe2D_chi0_C":5.983,"moe2D_chi0v":7.461,"moe2D_chi0v_C":5.828,"moe2D_chi1":5.702,"moe2D_chi1_C":2.731,"moe2D_chi1v":4.015,"moe2D_chi1v_C":2.621,"moeGao_chi2_C":0.5774,"moeGao_chi2v_C":0.5,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.715,"moeGao_chi3p_C":0.1667,"moeGao_chi3pv":1.144,"moeGao_chi3pv_C":0.125,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.843,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.6704,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1667,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7476,"moe2D_diameter":9,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":21.44,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.7119,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.449,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.9054,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":9.247,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.686,"moe2D_logS":-0.8251,"moe2D_mr":4.499,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":206.1,"moe2D_vdw_vol":233,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":134.6,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":244,"moe2D_weinerPol":11,"moe2D_zagreb":46}
{"Molecule":"diisobutyl","moeGao_Abra_L":8.712,"moeGao_Abra_R":1.174,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.843,"moeGao_Abra_pi":1.313,"moe2D_BCUT_PEOE_0":-2.594,"moe2D_BCUT_PEOE_1":-0.3965,"moe2D_BCUT_PEOE_2":0.3851,"moe2D_BCUT_PEOE_3":2.565,"moe2D_BCUT_SLOGP_0":-2.566,"moe2D_BCUT_SLOGP_1":-0.2794,"moe2D_BCUT_SLOGP_2":0.4879,"moe2D_BCUT_SLOGP_3":2.618,"moe2D_BCUT_SMR_0":-2.359,"moe2D_BCUT_SMR_1":-0.2124,"moe2D_BCUT_SMR_2":0.57,"moe2D_BCUT_SMR_3":2.8,"moe2D_GCUT_PEOE_0":-0.7829,"moe2D_GCUT_PEOE_1":-0.3505,"moe2D_GCUT_PEOE_2":-0.03881,"moe2D_GCUT_PEOE_3":2.467,"moe2D_GCUT_SLOGP_0":-0.8427,"moe2D_GCUT_SLOGP_1":-0.2257,"moe2D_GCUT_SLOGP_2":0.06208,"moe2D_GCUT_SLOGP_3":2.509,"moe2D_GCUT_SMR_0":-0.5303,"moe2D_GCUT_SMR_1":-0.157,"moe2D_GCUT_SMR_2":0.1097,"moe2D_GCUT_SMR_3":2.71,"moe2D_Kier1":18.05,"moe2D_Kier2":9.107,"moe2D_Kier3":6.549,"moe2D_KierA1":14.45,"moe2D_KierA2":7.2,"moe2D_KierA3":5.13,"moe2D_KierFlex":5.203,"moe2D_PEOE_PC.":1.646,"moe2D_PEOE_PC..1":-1.646,"moe2D_PEOE_RPC.":0.1789,"moe2D_PEOE_RPC..1":0.189,"moe2D_PEOE_VSA.0":59.72,"moe2D_PEOE_VSA.1":68.44,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":99.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.8038,"moe2D_PEOE_VSA_FNEG":0.4977,"moe2D_PEOE_VSA_FPNEG":0.1025,"moe2D_PEOE_VSA_FPOL":0.1962,"moe2D_PEOE_VSA_FPOS":0.5023,"moe2D_PEOE_VSA_FPPOS":0.09377,"moe2D_PEOE_VSA_HYD":252.2,"moe2D_PEOE_VSA_NEG":156.2,"moe2D_PEOE_VSA_PNEG":32.14,"moe2D_PEOE_VSA_POL":61.56,"moe2D_PEOE_VSA_POS":157.6,"moe2D_PEOE_VSA_PPOS":29.42,"moe2D_Q_PC.":2.6,"moe2D_Q_PC..1":-2.6,"moe2D_Q_RPC.":0.2438,"moe2D_Q_RPC..1":0.2192,"moe2D_Q_VSA_FHYD":0.7085,"moe2D_Q_VSA_FNEG":0.2587,"moe2D_Q_VSA_FPNEG":0.1025,"moe2D_Q_VSA_FPOL":0.2915,"moe2D_Q_VSA_FPOS":0.7413,"moe2D_Q_VSA_FPPOS":0.1891,"moe2D_Q_VSA_HYD":222.3,"moe2D_Q_VSA_NEG":81.16,"moe2D_Q_VSA_PNEG":32.14,"moe2D_Q_VSA_POL":91.46,"moe2D_Q_VSA_POS":232.6,"moe2D_Q_VSA_PPOS":59.32,"moe2D_SMR":7.668,"moe2D_SMR_VSA0":69.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":8.822,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":57.34,"moe2D_SMR_VSA7":133.3,"moe2D_SlogP":3.312,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":22,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":62.92,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":133.3,"moe2D_TPSA":52.6,"moe2D_VAdjEq":0.469,"moe2D_VAdjMa":5.322,"moe2D_VDistEq":3.236,"moe2D_VDistMa":8.349,"moe2D_Weight":278.3,"moe2D_a_IC":56.37,"moe2D_a_ICM":1.342,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":42,"moe2D_a_don":0,"moe2D_a_heavy":20,"moe2D_a_hyd":14,"moe2D_a_nBr":0,"moe2D_a_nC":16,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":22,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":46.04,"moe2D_b_1rotN":6,"moe2D_b_1rotR":0.3,"moe2D_b_ar":6,"moe2D_b_count":42,"moe2D_b_double":2,"moe2D_b_heavy":20,"moe2D_b_rotN":8,"moe2D_b_rotR":0.4,"moe2D_b_single":34,"moe2D_b_triple":0,"moe2D_balabanJ":2.526,"moe2D_bpol":29.8,"moe2D_chi0":15.12,"moe2D_chi0_C":11.71,"moe2D_chi0v":12.51,"moe2D_chi0v_C":10.88,"moe2D_chi1":9.414,"moe2D_chi1_C":6.442,"moe2D_chi1v":6.847,"moe2D_chi1v_C":5.453,"moeGao_chi2_C":5.4,"moeGao_chi2v_C":4.333,"moeGao_chi3c":1.56,"moeGao_chi3c_C":1.089,"moeGao_chi3cv":1.044,"moeGao_chi3cv_C":0.9608,"moeGao_chi3p":5.735,"moeGao_chi3p_C":1.875,"moeGao_chi3pv":2.462,"moeGao_chi3pv_C":0.9271,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":4.222,"moeGao_chi4ca_C":1.188,"moeGao_chi4cav":1.479,"moeGao_chi4cav_C":0.4831,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.523,"moeGao_chi4pc_C":0.542,"moeGao_chi4pcv":0.8387,"moeGao_chi4pcv_C":0.2388,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7014,"moe2D_diameter":11,"moe2D_kS_aaCH":6.555,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.5035,"moe2D_kS_dCH2":0,"moe2D_kS_dO":23.97,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.98,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":7.818,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.6552,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":10.32,"moe2D_kS_sssCH":0.4982,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.412,"moe2D_logS":-3.61,"moe2D_mr":7.88,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":6,"moe2D_opr_violation":0,"moe2D_petitjean":0.4545,"moe2D_petitjeanSC":0.8333,"moe2D_radius":6,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":313.7,"moe2D_vdw_vol":396.8,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":233.8,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":878,"moe2D_weinerPol":26,"moe2D_zagreb":92}
{"Molecule":"diisopropylether","moeGao_Abra_L":2.772,"moeGao_Abra_R":0.024,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.332,"moeGao_Abra_pi":0.234,"moe2D_BCUT_PEOE_0":-2.611,"moe2D_BCUT_PEOE_1":-0.01057,"moe2D_BCUT_PEOE_2":0.02544,"moe2D_BCUT_PEOE_3":2.556,"moe2D_BCUT_SLOGP_0":-2.592,"moe2D_BCUT_SLOGP_1":0.1015,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.587,"moe2D_BCUT_SMR_0":-2.366,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.106,"moe2D_BCUT_SMR_3":2.793,"moe2D_GCUT_PEOE_0":-0.8189,"moe2D_GCUT_PEOE_1":-0.1739,"moe2D_GCUT_PEOE_2":-0.1346,"moe2D_GCUT_PEOE_3":2.171,"moe2D_GCUT_SLOGP_0":-0.8304,"moe2D_GCUT_SLOGP_1":-0.07459,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.229,"moe2D_GCUT_SMR_0":-0.5258,"moe2D_GCUT_SMR_1":-0.06437,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.378,"moe2D_Kier1":7,"moe2D_Kier2":3.061,"moe2D_Kier3":6,"moe2D_KierA1":7,"moe2D_KierA2":3.061,"moe2D_KierA3":6,"moe2D_KierFlex":3.061,"moe2D_PEOE_PC.":0.5302,"moe2D_PEOE_PC..1":-0.5302,"moe2D_PEOE_RPC.":0.1113,"moe2D_PEOE_RPC..1":0.7062,"moe2D_PEOE_VSA.0":51.18,"moe2D_PEOE_VSA.1":18.34,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":74.99,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.983,"moe2D_PEOE_VSA_FNEG":0.5271,"moe2D_PEOE_VSA_FPNEG":0.01703,"moe2D_PEOE_VSA_FPOL":0.01703,"moe2D_PEOE_VSA_FPOS":0.4729,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":144.5,"moe2D_PEOE_VSA_NEG":77.49,"moe2D_PEOE_VSA_PNEG":2.504,"moe2D_PEOE_VSA_POL":2.504,"moe2D_PEOE_VSA_POS":69.53,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.56,"moe2D_Q_PC..1":-0.56,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.9162,"moe2D_Q_VSA_FNEG":0.01703,"moe2D_Q_VSA_FPNEG":0.01703,"moe2D_Q_VSA_FPOL":0.08375,"moe2D_Q_VSA_FPOS":0.983,"moe2D_Q_VSA_FPPOS":0.06672,"moe2D_Q_VSA_HYD":134.7,"moe2D_Q_VSA_NEG":2.504,"moe2D_Q_VSA_PNEG":2.504,"moe2D_Q_VSA_POL":12.31,"moe2D_Q_VSA_POS":144.5,"moe2D_Q_VSA_PPOS":9.81,"moe2D_SMR":3.136,"moe2D_SMR_VSA0":11,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":12.94,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":133.3,"moe2D_SlogP":1.82,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":23.94,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":133.3,"moe2D_TPSA":9.23,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.956,"moe2D_VDistMa":5.23,"moe2D_Weight":102.2,"moe2D_a_IC":23.43,"moe2D_a_ICM":1.116,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":21,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":20.7,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":20,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":2,"moe2D_b_rotR":0.3333,"moe2D_b_single":20,"moe2D_b_triple":0,"moe2D_balabanJ":2.953,"moe2D_bpol":17.22,"moe2D_chi0":5.862,"moe2D_chi0_C":5.155,"moe2D_chi0v":5.563,"moe2D_chi0v_C":5.155,"moe2D_chi1":3.126,"moe2D_chi1_C":2.309,"moe2D_chi1v":2.781,"moe2D_chi1v_C":2.309,"moeGao_chi2_C":1.155,"moeGao_chi2v_C":1.155,"moeGao_chi3c":0.8165,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.4714,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.9428,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.5443,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.9428,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.5443,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4714,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2722,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5971,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":8.167,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":5.25,"moe2D_kS_sssCH":0.75,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.814,"moe2D_logS":-1.042,"moe2D_mr":3.138,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":147,"moe2D_vdw_vol":171.1,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":134.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":2.504,"moe2D_weinerPath":48,"moe2D_weinerPol":4,"moe2D_zagreb":26}
{"Molecule":"dimethoxymethane","moeGao_Abra_L":1.991,"moeGao_Abra_R":0.068,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.507,"moeGao_Abra_pi":0.497,"moe2D_BCUT_PEOE_0":-2.375,"moe2D_BCUT_PEOE_1":-0.106,"moe2D_BCUT_PEOE_2":0.05244,"moe2D_BCUT_PEOE_3":2.305,"moe2D_BCUT_SLOGP_0":-2.423,"moe2D_BCUT_SLOGP_1":0.04054,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.24,"moe2D_BCUT_SMR_0":-2.137,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1069,"moe2D_BCUT_SMR_3":2.52,"moe2D_GCUT_PEOE_0":-0.8009,"moe2D_GCUT_PEOE_1":-0.2717,"moe2D_GCUT_PEOE_2":-0.1076,"moe2D_GCUT_PEOE_3":1.716,"moe2D_GCUT_SLOGP_0":-0.843,"moe2D_GCUT_SLOGP_1":-0.1718,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.689,"moe2D_GCUT_SMR_0":-0.5099,"moe2D_GCUT_SMR_1":-0.09148,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":1.907,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":4,"moe2D_KierA3":4,"moe2D_KierFlex":4,"moe2D_PEOE_PC.":0.7145,"moe2D_PEOE_PC..1":-0.7145,"moe2D_PEOE_RPC.":0.2063,"moe2D_PEOE_RPC..1":0.5,"moe2D_PEOE_VSA.0":50,"moe2D_PEOE_VSA.1":34.12,"moe2D_PEOE_VSA.2":21.2,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.9546,"moe2D_PEOE_VSA_FNEG":0.04539,"moe2D_PEOE_VSA_FPNEG":0.04539,"moe2D_PEOE_VSA_FPOL":0.04539,"moe2D_PEOE_VSA_FPOS":0.9546,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":105.3,"moe2D_PEOE_VSA_NEG":5.008,"moe2D_PEOE_VSA_PNEG":5.008,"moe2D_PEOE_VSA_POL":5.008,"moe2D_PEOE_VSA_POS":105.3,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.12,"moe2D_Q_PC..1":-1.12,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.3093,"moe2D_Q_VSA_FNEG":0.04539,"moe2D_Q_VSA_FPNEG":0.04539,"moe2D_Q_VSA_FPOL":0.6907,"moe2D_Q_VSA_FPOS":0.9546,"moe2D_Q_VSA_FPPOS":0.6453,"moe2D_Q_VSA_HYD":34.12,"moe2D_Q_VSA_NEG":5.008,"moe2D_Q_VSA_PNEG":5.008,"moe2D_Q_VSA_POL":76.2,"moe2D_Q_VSA_POS":105.3,"moe2D_Q_VSA_PPOS":71.2,"moe2D_SMR":1.889,"moe2D_SMR_VSA0":22,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":22.98,"moe2D_SMR_VSA7":70.77,"moe2D_SlogP":0.2367,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":22,"moe2D_SlogP_VSA3":22.98,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":70.77,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":18.46,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":76.09,"moe2D_a_IC":17.35,"moe2D_a_ICM":1.335,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":13,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":2,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":12.22,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2.191,"moe2D_bpol":12.58,"moe2D_chi0":4.121,"moe2D_chi0_C":2.707,"moe2D_chi0v":3.524,"moe2D_chi0v_C":2.707,"moe2D_chi1":2.414,"moe2D_chi1_C":0,"moe2D_chi1v":1.394,"moe2D_chi1v_C":0,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.2357,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.1179,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7013,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.174,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.3889,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":8.938,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.236,"moe2D_logS":0.4187,"moe2D_mr":2.004,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":110.3,"moe2D_vdw_vol":108.5,"moe2D_vsa_acc":5.008,"moe2D_vsa_don":0,"moe2D_vsa_hyd":71.32,"moe2D_vsa_other":28.31,"moe2D_vsa_pol":5.008,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"dimethyl","moeGao_Abra_L":6.074,"moeGao_Abra_R":1.204,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.807,"moeGao_Abra_pi":1.391,"moe2D_BCUT_PEOE_0":-2.242,"moe2D_BCUT_PEOE_1":-0.4011,"moe2D_BCUT_PEOE_2":0.3887,"moe2D_BCUT_PEOE_3":2.288,"moe2D_BCUT_SLOGP_0":-2.295,"moe2D_BCUT_SLOGP_1":-0.2864,"moe2D_BCUT_SLOGP_2":0.4932,"moe2D_BCUT_SLOGP_3":2.295,"moe2D_BCUT_SMR_0":-1.977,"moe2D_BCUT_SMR_1":-0.2153,"moe2D_BCUT_SMR_2":0.5786,"moe2D_BCUT_SMR_3":2.566,"moe2D_GCUT_PEOE_0":-0.7493,"moe2D_GCUT_PEOE_1":-0.418,"moe2D_GCUT_PEOE_2":-0.03885,"moe2D_GCUT_PEOE_3":2.178,"moe2D_GCUT_SLOGP_0":-0.8349,"moe2D_GCUT_SLOGP_1":-0.2292,"moe2D_GCUT_SLOGP_2":0.06218,"moe2D_GCUT_SLOGP_3":2.215,"moe2D_GCUT_SMR_0":-0.4825,"moe2D_GCUT_SMR_1":-0.1574,"moe2D_GCUT_SMR_2":0.1105,"moe2D_GCUT_SMR_3":2.45,"moe2D_Kier1":12.07,"moe2D_Kier2":5.778,"moe2D_Kier3":2.994,"moe2D_KierA1":8.694,"moe2D_KierA2":4.045,"moe2D_KierA3":2.051,"moe2D_KierFlex":2.512,"moe2D_PEOE_PC.":1.366,"moe2D_PEOE_PC..1":-1.366,"moe2D_PEOE_RPC.":0.2154,"moe2D_PEOE_RPC..1":0.2304,"moe2D_PEOE_VSA.0":50,"moe2D_PEOE_VSA.1":47.07,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":24.51,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.7035,"moe2D_PEOE_VSA_FNEG":0.3909,"moe2D_PEOE_VSA_FPNEG":0.1548,"moe2D_PEOE_VSA_FPOL":0.2965,"moe2D_PEOE_VSA_FPOS":0.6091,"moe2D_PEOE_VSA_FPPOS":0.1417,"moe2D_PEOE_VSA_HYD":146.1,"moe2D_PEOE_VSA_NEG":81.16,"moe2D_PEOE_VSA_PNEG":32.14,"moe2D_PEOE_VSA_POL":61.56,"moe2D_PEOE_VSA_POS":126.5,"moe2D_PEOE_VSA_PPOS":29.42,"moe2D_Q_PC.":2.6,"moe2D_Q_PC..1":-2.6,"moe2D_Q_RPC.":0.2438,"moe2D_Q_RPC..1":0.2192,"moe2D_Q_VSA_FHYD":0.4628,"moe2D_Q_VSA_FNEG":0.3909,"moe2D_Q_VSA_FPNEG":0.1548,"moe2D_Q_VSA_FPOL":0.5372,"moe2D_Q_VSA_FPOS":0.6091,"moe2D_Q_VSA_FPPOS":0.3824,"moe2D_Q_VSA_HYD":96.09,"moe2D_Q_VSA_NEG":81.16,"moe2D_Q_VSA_PNEG":32.14,"moe2D_Q_VSA_POL":111.6,"moe2D_Q_VSA_POS":126.5,"moe2D_Q_VSA_PPOS":79.41,"moe2D_SMR":4.912,"moe2D_SMR_VSA0":69.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":15.49,"moe2D_SMR_VSA7":70.77,"moe2D_SlogP":1.26,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":22,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":54.1,"moe2D_SlogP_VSA5":70.77,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":52.6,"moe2D_VAdjEq":0.5917,"moe2D_VAdjMa":4.807,"moe2D_VDistEq":2.566,"moe2D_VDistMa":7.339,"moe2D_Weight":194.2,"moe2D_a_IC":35.6,"moe2D_a_ICM":1.483,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":24,"moe2D_a_don":0,"moe2D_a_heavy":14,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":27.48,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1429,"moe2D_b_ar":6,"moe2D_b_count":24,"moe2D_b_double":2,"moe2D_b_heavy":14,"moe2D_b_rotN":4,"moe2D_b_rotR":0.2857,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":2.612,"moe2D_bpol":16.68,"moe2D_chi0":10.55,"moe2D_chi0_C":7.138,"moe2D_chi0v":7.942,"moe2D_chi0v_C":6.309,"moe2D_chi1":6.702,"moe2D_chi1_C":3.316,"moe2D_chi1v":3.96,"moe2D_chi1v_C":2.327,"moeGao_chi2_C":2.612,"moeGao_chi2v_C":1.546,"moeGao_chi3c":0.7436,"moeGao_chi3c_C":0.2722,"moeGao_chi3cv":0.2277,"moeGao_chi3cv_C":0.1443,"moeGao_chi3p":4.625,"moeGao_chi3p_C":1.875,"moeGao_chi3pv":1.738,"moeGao_chi3pv_C":0.9271,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.207,"moeGao_chi4ca_C":1.188,"moeGao_chi4cav":1.059,"moeGao_chi4cav_C":0.4831,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.084,"moeGao_chi4pc_C":0.542,"moeGao_chi4pcv":0.5298,"moeGao_chi4pcv_C":0.2388,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7759,"moe2D_diameter":7,"moe2D_kS_aaCH":6.327,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.4201,"moe2D_kS_dCH2":0,"moe2D_kS_dO":22.45,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-1.1,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.521,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":9.05,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.786,"moe2D_logS":-2.148,"moe2D_mr":5.137,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":207.6,"moe2D_vdw_vol":250.3,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":139,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":295,"moe2D_weinerPol":20,"moe2D_zagreb":64}
{"Molecule":"dimethylmalonate(methyl","moeGao_Abra_L":3.449,"moeGao_Abra_R":0.572,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.763,"moeGao_Abra_pi":0.989,"moe2D_BCUT_PEOE_0":-2.279,"moe2D_BCUT_PEOE_1":-0.2477,"moe2D_BCUT_PEOE_2":0.05296,"moe2D_BCUT_PEOE_3":2.405,"moe2D_BCUT_SLOGP_0":-2.397,"moe2D_BCUT_SLOGP_1":-0.1003,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.28,"moe2D_BCUT_SMR_0":-2.064,"moe2D_BCUT_SMR_1":0.04422,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.603,"moe2D_GCUT_PEOE_0":-0.7547,"moe2D_GCUT_PEOE_1":-0.4218,"moe2D_GCUT_PEOE_2":-0.107,"moe2D_GCUT_PEOE_3":1.918,"moe2D_GCUT_SLOGP_0":-0.8497,"moe2D_GCUT_SLOGP_1":-0.2836,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.823,"moe2D_GCUT_SMR_0":-0.486,"moe2D_GCUT_SMR_1":-0.1382,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.118,"moe2D_Kier1":9,"moe2D_Kier2":4.84,"moe2D_Kier3":4.5,"moe2D_KierA1":7.187,"moe2D_KierA2":3.742,"moe2D_KierA3":3.372,"moe2D_KierFlex":2.988,"moe2D_PEOE_PC.":1.165,"moe2D_PEOE_PC..1":-1.165,"moe2D_PEOE_RPC.":0.2331,"moe2D_PEOE_RPC..1":0.2731,"moe2D_PEOE_VSA.0":58.53,"moe2D_PEOE_VSA.1":25.59,"moe2D_PEOE_VSA.2":8.701,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":5.008,"moe2D_PEOE_VSA_FHYD":0.6012,"moe2D_PEOE_VSA_FNEG":0.2082,"moe2D_PEOE_VSA_FPNEG":0.2082,"moe2D_PEOE_VSA_FPOL":0.3988,"moe2D_PEOE_VSA_FPOS":0.7918,"moe2D_PEOE_VSA_FPPOS":0.1906,"moe2D_PEOE_VSA_HYD":92.82,"moe2D_PEOE_VSA_NEG":32.14,"moe2D_PEOE_VSA_PNEG":32.14,"moe2D_PEOE_VSA_POL":61.56,"moe2D_PEOE_VSA_POS":122.2,"moe2D_PEOE_VSA_PPOS":29.42,"moe2D_Q_PC.":2,"moe2D_Q_PC..1":-2,"moe2D_Q_RPC.":0.3295,"moe2D_Q_RPC..1":0.285,"moe2D_Q_VSA_FHYD":0.2774,"moe2D_Q_VSA_FNEG":0.2082,"moe2D_Q_VSA_FPNEG":0.2082,"moe2D_Q_VSA_FPOL":0.7226,"moe2D_Q_VSA_FPOS":0.7918,"moe2D_Q_VSA_FPPOS":0.5144,"moe2D_Q_VSA_HYD":42.82,"moe2D_Q_VSA_NEG":32.14,"moe2D_Q_VSA_PNEG":32.14,"moe2D_Q_VSA_POL":111.6,"moe2D_Q_VSA_POS":122.2,"moe2D_Q_VSA_PPOS":79.41,"moe2D_SMR":2.865,"moe2D_SMR_VSA0":69.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":15.49,"moe2D_SMR_VSA7":70.77,"moe2D_SlogP":-0.2775,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":69.72,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":70.77,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":52.6,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.391,"moe2D_VDistMa":5.984,"moe2D_Weight":132.1,"moe2D_a_IC":25.88,"moe2D_a_ICM":1.522,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":17,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":17.34,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":16,"moe2D_b_double":2,"moe2D_b_heavy":8,"moe2D_b_rotN":4,"moe2D_b_rotR":0.5,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":3.27,"moe2D_bpol":14.49,"moe2D_chi0":7.276,"moe2D_chi0_C":3.862,"moe2D_chi0v":5.34,"moe2D_chi0v_C":3.707,"moe2D_chi1":4.202,"moe2D_chi1_C":0.8165,"moe2D_chi1v":2.34,"moe2D_chi1v_C":0.7071,"moeGao_chi2_C":0.2357,"moeGao_chi2v_C":0.1768,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.199,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.744,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.02,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2622,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.9107,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1768,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8272,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":20.52,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-1.163,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.427,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":-0.3125,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":8.366,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.084,"moe2D_logS":-0.2888,"moe2D_mr":3.089,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":154.4,"moe2D_vdw_vol":159.7,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":87.13,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":100,"moe2D_weinerPol":8,"moe2D_zagreb":34}
{"Molecule":"diphenyl","moeGao_Abra_L":11.43,"moeGao_Abra_R":2.198,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.893,"moeGao_Abra_pi":2.323,"moe2D_BCUT_PEOE_0":-2.222,"moe2D_BCUT_PEOE_1":-0.6258,"moe2D_BCUT_PEOE_2":0.6753,"moe2D_BCUT_PEOE_3":2.269,"moe2D_BCUT_SLOGP_0":-2.226,"moe2D_BCUT_SLOGP_1":-0.5225,"moe2D_BCUT_SLOGP_2":0.7822,"moe2D_BCUT_SLOGP_3":2.349,"moe2D_BCUT_SMR_0":-1.913,"moe2D_BCUT_SMR_1":-0.4731,"moe2D_BCUT_SMR_2":0.8327,"moe2D_BCUT_SMR_3":2.566,"moe2D_GCUT_PEOE_0":-0.745,"moe2D_GCUT_PEOE_1":-0.4448,"moe2D_GCUT_PEOE_2":0.07539,"moe2D_GCUT_PEOE_3":2.364,"moe2D_GCUT_SLOGP_0":-0.9031,"moe2D_GCUT_SLOGP_1":-0.3274,"moe2D_GCUT_SLOGP_2":0.1603,"moe2D_GCUT_SLOGP_3":2.465,"moe2D_GCUT_SMR_0":-0.4053,"moe2D_GCUT_SMR_1":-0.2139,"moe2D_GCUT_SMR_2":0.1846,"moe2D_GCUT_SMR_3":2.654,"moe2D_Kier1":18.78,"moe2D_Kier2":9.63,"moe2D_Kier3":5.497,"moe2D_KierA1":12.54,"moe2D_KierA2":6.304,"moe2D_KierA3":3.548,"moe2D_KierFlex":3.293,"moe2D_PEOE_PC.":1.768,"moe2D_PEOE_PC..1":-1.768,"moe2D_PEOE_RPC.":0.1694,"moe2D_PEOE_RPC..1":0.1549,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":81.05,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":29.42,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":73.53,"moe2D_PEOE_VSA.1.1":98.04,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":32.14,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.8041,"moe2D_PEOE_VSA_FNEG":0.6484,"moe2D_PEOE_VSA_FPNEG":0.1023,"moe2D_PEOE_VSA_FPOL":0.1959,"moe2D_PEOE_VSA_FPOS":0.3516,"moe2D_PEOE_VSA_FPPOS":0.09363,"moe2D_PEOE_VSA_HYD":252.6,"moe2D_PEOE_VSA_NEG":203.7,"moe2D_PEOE_VSA_PNEG":32.14,"moe2D_PEOE_VSA_POL":61.56,"moe2D_PEOE_VSA_POS":110.5,"moe2D_PEOE_VSA_PPOS":29.42,"moe2D_Q_PC.":3.705,"moe2D_Q_PC..1":-3.705,"moe2D_Q_RPC.":0.1711,"moe2D_Q_RPC..1":0.1538,"moe2D_Q_VSA_FHYD":0.8041,"moe2D_Q_VSA_FNEG":0.6484,"moe2D_Q_VSA_FPNEG":0.1023,"moe2D_Q_VSA_FPOL":0.1959,"moe2D_Q_VSA_FPOS":0.3516,"moe2D_Q_VSA_FPPOS":0.09363,"moe2D_Q_VSA_HYD":252.6,"moe2D_Q_VSA_NEG":203.7,"moe2D_Q_VSA_PNEG":32.14,"moe2D_Q_VSA_POL":61.56,"moe2D_Q_VSA_POS":110.5,"moe2D_Q_VSA_PPOS":29.42,"moe2D_SMR":8.924,"moe2D_SMR_VSA0":47.72,"moe2D_SMR_VSA1":22,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":16.86,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":247,"moe2D_SMR_VSA6":15.49,"moe2D_SMR_VSA7":0,"moe2D_SlogP":4.125,"moe2D_SlogP_VSA0":22,"moe2D_SlogP_VSA1":15.49,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":54.1,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":247,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":10.49,"moe2D_TPSA":52.6,"moe2D_VAdjEq":0.4374,"moe2D_VAdjMa":5.7,"moe2D_VDistEq":3.424,"moe2D_VDistMa":8.877,"moe2D_Weight":318.3,"moe2D_a_IC":51.68,"moe2D_a_ICM":1.36,"moe2D_a_acc":2,"moe2D_a_aro":18,"moe2D_a_count":38,"moe2D_a_don":0,"moe2D_a_heavy":24,"moe2D_a_hyd":18,"moe2D_a_nBr":0,"moe2D_a_nC":20,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":4,"moe2D_apol":47.74,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.1538,"moe2D_b_ar":18,"moe2D_b_count":40,"moe2D_b_double":2,"moe2D_b_heavy":26,"moe2D_b_rotN":6,"moe2D_b_rotR":0.2308,"moe2D_b_single":20,"moe2D_b_triple":0,"moe2D_balabanJ":1.532,"moe2D_bpol":21.05,"moe2D_chi0":16.78,"moe2D_chi0_C":13.36,"moe2D_chi0v":12.72,"moe2D_chi0v_C":11.08,"moe2D_chi1":11.74,"moe2D_chi1_C":8.949,"moe2D_chi1v":7.373,"moe2D_chi1v_C":6.149,"moeGao_chi2_C":6.466,"moeGao_chi2v_C":3.7,"moeGao_chi3c":1.152,"moeGao_chi3c_C":0.2722,"moeGao_chi3cv":0.3638,"moeGao_chi3cv_C":0.1443,"moeGao_chi3p":8.196,"moeGao_chi3p_C":4.508,"moeGao_chi3pv":3.274,"moeGao_chi3pv_C":2.141,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":6.848,"moeGao_chi4ca_C":2.985,"moeGao_chi4cav":2.14,"moeGao_chi4cav_C":1.167,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.697,"moeGao_chi4pc_C":0.542,"moeGao_chi4pcv":0.7133,"moeGao_chi4pcv_C":0.2388,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.738,"moe2D_diameter":13,"moe2D_kS_aaCH":23.77,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.132,"moe2D_kS_dCH2":0,"moe2D_kS_dO":24.72,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-1.219,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":10.59,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":4,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":5.094,"moe2D_logS":-5.613,"moe2D_mr":9.186,"moe2D_opr_brigid":18,"moe2D_opr_leadlike":1,"moe2D_opr_nring":3,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.4615,"moe2D_petitjeanSC":0.8571,"moe2D_radius":7,"moe2D_reactive":0,"moe2D_rings":3,"moe2D_vdw_area":314.2,"moe2D_vdw_vol":431.4,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":242.7,"moe2D_vsa_other":34.42,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":1418,"moe2D_weinerPol":34,"moe2D_zagreb":120}
{"Molecule":"diphenylamine","moeGao_Abra_L":6.98,"moeGao_Abra_R":1.48,"moeGao_Abra_acidity":0.224,"moeGao_Abra_basicity":0.596,"moeGao_Abra_pi":1.29,"moe2D_BCUT_PEOE_0":-2.301,"moe2D_BCUT_PEOE_1":-0.6462,"moe2D_BCUT_PEOE_2":0.7001,"moe2D_BCUT_PEOE_3":2.201,"moe2D_BCUT_SLOGP_0":-2.168,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.402,"moe2D_BCUT_SMR_0":-1.931,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.57,"moe2D_GCUT_PEOE_0":-0.8046,"moe2D_GCUT_PEOE_1":-0.3859,"moe2D_GCUT_PEOE_2":0.08089,"moe2D_GCUT_PEOE_3":2.181,"moe2D_GCUT_SLOGP_0":-0.8945,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.377,"moe2D_GCUT_SMR_0":-0.4042,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.509,"moe2D_Kier1":9.551,"moe2D_Kier2":5.024,"moe2D_Kier3":3,"moe2D_KierA1":6.065,"moe2D_KierA2":3.054,"moe2D_KierA3":1.756,"moe2D_KierFlex":1.425,"moe2D_PEOE_PC.":0.7973,"moe2D_PEOE_PC..1":-0.7973,"moe2D_PEOE_RPC.":0.1675,"moe2D_PEOE_RPC..1":0.3243,"moe2D_PEOE_VSA.0":13.4,"moe2D_PEOE_VSA.1":42.65,"moe2D_PEOE_VSA.2":8.619,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":73.53,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0.1369,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9993,"moe2D_PEOE_VSA_FNEG":0.6548,"moe2D_PEOE_VSA_FPNEG":0.00073,"moe2D_PEOE_VSA_FPOL":0.00073,"moe2D_PEOE_VSA_FPOS":0.3452,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":187.2,"moe2D_PEOE_VSA_NEG":122.7,"moe2D_PEOE_VSA_PNEG":0.1369,"moe2D_PEOE_VSA_POL":0.1369,"moe2D_PEOE_VSA_POS":64.67,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":2.1,"moe2D_Q_PC..1":-2.1,"moe2D_Q_RPC.":0.1905,"moe2D_Q_RPC..1":0.2857,"moe2D_Q_VSA_FHYD":0.9533,"moe2D_Q_VSA_FNEG":0.6548,"moe2D_Q_VSA_FPNEG":0.00073,"moe2D_Q_VSA_FPOL":0.04673,"moe2D_Q_VSA_FPOS":0.3452,"moe2D_Q_VSA_FPPOS":0.046,"moe2D_Q_VSA_HYD":178.6,"moe2D_Q_VSA_NEG":122.7,"moe2D_Q_VSA_PNEG":0.1369,"moe2D_Q_VSA_POL":8.756,"moe2D_Q_VSA_POS":64.67,"moe2D_Q_VSA_PPOS":8.619,"moe2D_SMR":5.617,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":23.52,"moe2D_SMR_VSA5":176.4,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":3.43,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":18.01,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":176.4,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":5.513,"moe2D_TPSA":12.03,"moe2D_VAdjEq":0.6477,"moe2D_VAdjMa":4.807,"moe2D_VDistEq":2.766,"moe2D_VDistMa":7.062,"moe2D_Weight":169.2,"moe2D_a_IC":28.97,"moe2D_a_ICM":1.207,"moe2D_a_acc":0,"moe2D_a_aro":12,"moe2D_a_count":24,"moe2D_a_don":1,"moe2D_a_heavy":13,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":29.55,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1429,"moe2D_b_ar":12,"moe2D_b_count":25,"moe2D_b_double":0,"moe2D_b_heavy":14,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1429,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":1.707,"moe2D_bpol":12.69,"moe2D_chi0":8.933,"moe2D_chi0_C":8.226,"moe2D_chi0v":7.274,"moe2D_chi0v_C":6.774,"moe2D_chi1":6.449,"moe2D_chi1_C":5.633,"moe2D_chi1v":4.321,"moe2D_chi1v_C":3.821,"moeGao_chi2_C":3.853,"moeGao_chi2v_C":2.155,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1667,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.116,"moeGao_chi3p_C":2.633,"moeGao_chi3pv":1.836,"moeGao_chi3pv_C":1.214,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.317,"moeGao_chi4ca_C":1.797,"moeGao_chi4cav":1.21,"moeGao_chi4cav_C":0.6839,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8131,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2758,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6505,"moe2D_diameter":8,"moe2D_kS_aaCH":20.29,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.238,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":3.304,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.288,"moe2D_logS":-3.005,"moe2D_mr":5.543,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":187.4,"moe2D_vdw_vol":260.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":5.683,"moe2D_vsa_hyd":171.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":264,"moe2D_weinerPol":14,"moe2D_zagreb":62}
{"Molecule":"diphenylether","moeGao_Abra_L":6.068,"moeGao_Abra_R":1.288,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.181,"moeGao_Abra_pi":0.979,"moe2D_BCUT_PEOE_0":-2.224,"moe2D_BCUT_PEOE_1":-0.6436,"moe2D_BCUT_PEOE_2":0.7024,"moe2D_BCUT_PEOE_3":2.166,"moe2D_BCUT_SLOGP_0":-2.025,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.396,"moe2D_BCUT_SMR_0":-1.895,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.493,"moe2D_GCUT_PEOE_0":-0.7596,"moe2D_GCUT_PEOE_1":-0.3825,"moe2D_GCUT_PEOE_2":0.07698,"moe2D_GCUT_PEOE_3":2.128,"moe2D_GCUT_SLOGP_0":-0.7019,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.34,"moe2D_GCUT_SMR_0":-0.4054,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.433,"moe2D_Kier1":9.551,"moe2D_Kier2":5.024,"moe2D_Kier3":3,"moe2D_KierA1":6.362,"moe2D_KierA2":3.219,"moe2D_KierA3":1.859,"moe2D_KierFlex":1.575,"moe2D_PEOE_PC.":0.7944,"moe2D_PEOE_PC..1":-0.7944,"moe2D_PEOE_RPC.":0.1046,"moe2D_PEOE_RPC..1":0.3894,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":59.57,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":73.53,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.9864,"moe2D_PEOE_VSA_FNEG":0.6773,"moe2D_PEOE_VSA_FPNEG":0.01356,"moe2D_PEOE_VSA_FPOL":0.01356,"moe2D_PEOE_VSA_FPOS":0.3227,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":182.1,"moe2D_PEOE_VSA_NEG":125.1,"moe2D_PEOE_VSA_PNEG":2.504,"moe2D_PEOE_VSA_POL":2.504,"moe2D_PEOE_VSA_POS":59.57,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.665,"moe2D_Q_PC..1":-1.665,"moe2D_Q_RPC.":0.09009,"moe2D_Q_RPC..1":0.0991,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.6773,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.3227,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":184.6,"moe2D_Q_VSA_NEG":125.1,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":59.57,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":5.296,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":11,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":10.49,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":176.4,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":3.479,"moe2D_SlogP_VSA0":11,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":176.4,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":10.49,"moe2D_TPSA":9.23,"moe2D_VAdjEq":0.6477,"moe2D_VAdjMa":4.807,"moe2D_VDistEq":2.766,"moe2D_VDistMa":7.062,"moe2D_Weight":170.2,"moe2D_a_IC":27.8,"moe2D_a_ICM":1.209,"moe2D_a_acc":0,"moe2D_a_aro":12,"moe2D_a_count":23,"moe2D_a_don":0,"moe2D_a_heavy":13,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":28.59,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1429,"moe2D_b_ar":12,"moe2D_b_count":24,"moe2D_b_double":0,"moe2D_b_heavy":14,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1429,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":1.707,"moe2D_bpol":12.85,"moe2D_chi0":8.933,"moe2D_chi0_C":8.226,"moe2D_chi0v":7.182,"moe2D_chi0v_C":6.774,"moe2D_chi1":6.449,"moe2D_chi1_C":5.633,"moe2D_chi1v":4.23,"moe2D_chi1v_C":3.821,"moeGao_chi2_C":3.853,"moeGao_chi2v_C":2.155,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1361,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.116,"moeGao_chi3p_C":2.633,"moeGao_chi3pv":1.722,"moeGao_chi3pv_C":1.214,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.317,"moeGao_chi4ca_C":1.797,"moeGao_chi4cav":1.113,"moeGao_chi4cav_C":0.6839,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8131,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2252,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6688,"moe2D_diameter":8,"moe2D_kS_aaCH":19.52,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.738,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":5.578,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.516,"moe2D_logS":-3.168,"moe2D_mr":5.422,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":184.6,"moe2D_vdw_vol":254.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":175,"moe2D_vsa_other":2.504,"moe2D_vsa_pol":0,"moe2D_weinerPath":264,"moe2D_weinerPol":14,"moe2D_zagreb":62}
{"Molecule":"ethanol-(alcohol)","moeGao_Abra_L":1.622,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.385,"moeGao_Abra_pi":0.449,"moe2D_BCUT_PEOE_0":-2.361,"moe2D_BCUT_PEOE_1":-0.2303,"moe2D_BCUT_PEOE_2":0.2964,"moe2D_BCUT_PEOE_3":2.32,"moe2D_BCUT_SLOGP_0":-2.378,"moe2D_BCUT_SLOGP_1":-0.2044,"moe2D_BCUT_SLOGP_2":0.2772,"moe2D_BCUT_SLOGP_3":2.338,"moe2D_BCUT_SMR_0":-2.135,"moe2D_BCUT_SMR_1":-0.1342,"moe2D_BCUT_SMR_2":0.3604,"moe2D_BCUT_SMR_3":2.538,"moe2D_GCUT_PEOE_0":-0.803,"moe2D_GCUT_PEOE_1":-0.2362,"moe2D_GCUT_PEOE_2":0.00419,"moe2D_GCUT_PEOE_3":1.584,"moe2D_GCUT_SLOGP_0":-0.8735,"moe2D_GCUT_SLOGP_1":-0.1779,"moe2D_GCUT_SLOGP_2":-0.02475,"moe2D_GCUT_SLOGP_3":1.605,"moe2D_GCUT_SMR_0":-0.5197,"moe2D_GCUT_SMR_1":-0.1307,"moe2D_GCUT_SMR_2":0.05112,"moe2D_GCUT_SMR_3":1.774,"moe2D_Kier1":3,"moe2D_Kier2":2,"moe2D_Kier3":0,"moe2D_KierA1":3,"moe2D_KierA2":2,"moe2D_KierA3":0,"moe2D_KierFlex":2,"moe2D_PEOE_PC.":0.4371,"moe2D_PEOE_PC..1":-0.4371,"moe2D_PEOE_RPC.":0.479,"moe2D_PEOE_RPC..1":0.9043,"moe2D_PEOE_VSA.0":27.75,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.7526,"moe2D_PEOE_VSA_FNEG":0.3626,"moe2D_PEOE_VSA_FPNEG":0.1062,"moe2D_PEOE_VSA_FPOL":0.2474,"moe2D_PEOE_VSA_FPOS":0.6374,"moe2D_PEOE_VSA_FPPOS":0.1412,"moe2D_PEOE_VSA_HYD":55.03,"moe2D_PEOE_VSA_NEG":26.52,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":46.6,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.5481,"moe2D_Q_VSA_FNEG":0.1062,"moe2D_Q_VSA_FPNEG":0.1062,"moe2D_Q_VSA_FPOL":0.4519,"moe2D_Q_VSA_FPOS":0.8938,"moe2D_Q_VSA_FPPOS":0.3457,"moe2D_Q_VSA_HYD":40.07,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":65.35,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":1.276,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":-0.0014,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.9911,"moe2D_VAdjMa":2,"moe2D_VDistEq":0.9183,"moe2D_VDistMa":2.5,"moe2D_Weight":46.07,"moe2D_a_IC":11.02,"moe2D_a_ICM":1.224,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":9,"moe2D_a_don":1,"moe2D_a_heavy":3,"moe2D_a_hyd":2,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":8.323,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":8,"moe2D_b_double":0,"moe2D_b_heavy":2,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":1.633,"moe2D_bpol":6.559,"moe2D_chi0":2.707,"moe2D_chi0_C":1.707,"moe2D_chi0v":2.154,"moe2D_chi0v_C":1.707,"moe2D_chi1":1.414,"moe2D_chi1_C":0.7071,"moe2D_chi1v":1.023,"moe2D_chi1v_C":0.7071,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6463,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.681,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":7.569,"moe2D_kS_ssCH2":0.25,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.063,"moe2D_logS":0.2848,"moe2D_mr":1.331,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":73.12,"moe2D_vdw_vol":71.28,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":51.47,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":4,"moe2D_weinerPol":0,"moe2D_zagreb":6}
{"Molecule":"ethyl","moeGao_Abra_L":6.112,"moeGao_Abra_R":1.205,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.736,"moeGao_Abra_pi":1.418,"moe2D_BCUT_PEOE_0":-2.372,"moe2D_BCUT_PEOE_1":-0.5052,"moe2D_BCUT_PEOE_2":0.5095,"moe2D_BCUT_PEOE_3":2.364,"moe2D_BCUT_SLOGP_0":-2.39,"moe2D_BCUT_SLOGP_1":-0.3433,"moe2D_BCUT_SLOGP_2":0.623,"moe2D_BCUT_SLOGP_3":2.376,"moe2D_BCUT_SMR_0":-2.145,"moe2D_BCUT_SMR_1":-0.3148,"moe2D_BCUT_SMR_2":0.6399,"moe2D_BCUT_SMR_3":2.602,"moe2D_GCUT_PEOE_0":-0.813,"moe2D_GCUT_PEOE_1":-0.382,"moe2D_GCUT_PEOE_2":0.04269,"moe2D_GCUT_PEOE_3":2.13,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2384,"moe2D_GCUT_SLOGP_2":0.1277,"moe2D_GCUT_SLOGP_3":2.218,"moe2D_GCUT_SMR_0":-0.5136,"moe2D_GCUT_SMR_1":-0.1852,"moe2D_GCUT_SMR_2":0.1292,"moe2D_GCUT_SMR_3":2.413,"moe2D_Kier1":10.08,"moe2D_Kier2":4.889,"moe2D_Kier3":3.114,"moe2D_KierA1":7.097,"moe2D_KierA2":3.318,"moe2D_KierA3":2.053,"moe2D_KierFlex":1.962,"moe2D_PEOE_PC.":1.096,"moe2D_PEOE_PC..1":-1.096,"moe2D_PEOE_RPC.":0.2681,"moe2D_PEOE_RPC..1":0.2845,"moe2D_PEOE_VSA.0":21.7,"moe2D_PEOE_VSA.1":40.54,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":67.77,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":9.155,"moe2D_PEOE_VSA_FHYD":0.7973,"moe2D_PEOE_VSA_FNEG":0.49,"moe2D_PEOE_VSA_FPNEG":0.123,"moe2D_PEOE_VSA_FPOL":0.2027,"moe2D_PEOE_VSA_FPOS":0.51,"moe2D_PEOE_VSA_FPPOS":0.07964,"moe2D_PEOE_VSA_HYD":147.3,"moe2D_PEOE_VSA_NEG":90.49,"moe2D_PEOE_VSA_PNEG":22.72,"moe2D_PEOE_VSA_POL":37.43,"moe2D_PEOE_VSA_POS":94.19,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":2.5,"moe2D_Q_PC..1":-2.5,"moe2D_Q_RPC.":0.2535,"moe2D_Q_RPC..1":0.36,"moe2D_Q_VSA_FHYD":0.623,"moe2D_Q_VSA_FNEG":0.3885,"moe2D_Q_VSA_FPNEG":0.123,"moe2D_Q_VSA_FPOL":0.377,"moe2D_Q_VSA_FPOS":0.6115,"moe2D_Q_VSA_FPPOS":0.2539,"moe2D_Q_VSA_HYD":115.1,"moe2D_Q_VSA_NEG":71.74,"moe2D_Q_VSA_PNEG":22.72,"moe2D_Q_VSA_POL":69.62,"moe2D_Q_VSA_POS":112.9,"moe2D_Q_VSA_PPOS":46.9,"moe2D_SMR":4.681,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":103.5,"moe2D_SMR_VSA6":28.67,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.446,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":36.08,"moe2D_TPSA":52.32,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.69,"moe2D_VDistMa":6.832,"moe2D_Weight":165.2,"moe2D_a_IC":35.46,"moe2D_a_ICM":1.542,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":23,"moe2D_a_don":1,"moe2D_a_heavy":12,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":2,"moe2D_apol":25.88,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1667,"moe2D_b_ar":6,"moe2D_b_count":23,"moe2D_b_double":1,"moe2D_b_heavy":12,"moe2D_b_rotN":3,"moe2D_b_rotR":0.25,"moe2D_b_single":16,"moe2D_b_triple":0,"moe2D_balabanJ":2.267,"moe2D_bpol":14.24,"moe2D_chi0":8.975,"moe2D_chi0_C":6.268,"moe2D_chi0v":6.91,"moe2D_chi0v_C":5.517,"moe2D_chi1":5.736,"moe2D_chi1_C":3.673,"moe2D_chi1v":3.764,"moe2D_chi1v_C":2.778,"moeGao_chi2_C":2.203,"moeGao_chi2v_C":1.289,"moeGao_chi3c":0.691,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.2212,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":3.609,"moeGao_chi3p_C":1.483,"moeGao_chi3pv":1.422,"moeGao_chi3pv_C":0.7182,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.546,"moeGao_chi4ca_C":0.9525,"moeGao_chi4cav":0.8336,"moeGao_chi4cav_C":0.3869,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.428,"moeGao_chi4pc_C":0.2357,"moeGao_chi4pcv":0.353,"moeGao_chi4pcv_C":0.09623,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7224,"moe2D_diameter":8,"moe2D_kS_aaCH":6.638,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.175,"moe2D_kS_dCH2":0,"moe2D_kS_dO":11.09,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.3079,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.773,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.449,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.3921,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.788,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.516,"moe2D_logS":-1.815,"moe2D_mr":4.718,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":184.7,"moe2D_vdw_vol":228.7,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":123.6,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":31.31,"moe2D_weinerPath":211,"moe2D_weinerPol":14,"moe2D_zagreb":54}
{"Molecule":"ethyl","moeGao_Abra_L":5.008,"moeGao_Abra_R":0.93,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.472,"moeGao_Abra_pi":0.984,"moe2D_BCUT_PEOE_0":-2.371,"moe2D_BCUT_PEOE_1":-0.5588,"moe2D_BCUT_PEOE_2":0.6166,"moe2D_BCUT_PEOE_3":2.363,"moe2D_BCUT_SLOGP_0":-2.387,"moe2D_BCUT_SLOGP_1":-0.4558,"moe2D_BCUT_SLOGP_2":0.7141,"moe2D_BCUT_SLOGP_3":2.372,"moe2D_BCUT_SMR_0":-2.144,"moe2D_BCUT_SMR_1":-0.4243,"moe2D_BCUT_SMR_2":0.7565,"moe2D_BCUT_SMR_3":2.597,"moe2D_GCUT_PEOE_0":-0.7624,"moe2D_GCUT_PEOE_1":-0.3831,"moe2D_GCUT_PEOE_2":0.06586,"moe2D_GCUT_PEOE_3":2.079,"moe2D_GCUT_SLOGP_0":-0.8316,"moe2D_GCUT_SLOGP_1":-0.2386,"moe2D_GCUT_SLOGP_2":0.1467,"moe2D_GCUT_SLOGP_3":2.159,"moe2D_GCUT_SMR_0":-0.5136,"moe2D_GCUT_SMR_1":-0.1923,"moe2D_GCUT_SMR_2":0.1691,"moe2D_GCUT_SMR_3":2.353,"moe2D_Kier1":9.091,"moe2D_Kier2":4.793,"moe2D_Kier3":2.844,"moe2D_KierA1":6.523,"moe2D_KierA2":3.311,"moe2D_KierA3":1.898,"moe2D_KierFlex":1.963,"moe2D_PEOE_PC.":0.8934,"moe2D_PEOE_PC..1":-0.8934,"moe2D_PEOE_RPC.":0.3289,"moe2D_PEOE_RPC..1":0.3489,"moe2D_PEOE_VSA.0":15,"moe2D_PEOE_VSA.1":44.81,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":43.26,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.8196,"moe2D_PEOE_VSA_FNEG":0.5632,"moe2D_PEOE_VSA_FPNEG":0.09419,"moe2D_PEOE_VSA_FPOL":0.1804,"moe2D_PEOE_VSA_FPOS":0.4368,"moe2D_PEOE_VSA_FPPOS":0.08621,"moe2D_PEOE_VSA_HYD":139.8,"moe2D_PEOE_VSA_NEG":96.09,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":74.52,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1.75,"moe2D_Q_PC..1":-1.75,"moe2D_Q_RPC.":0.3622,"moe2D_Q_RPC..1":0.3257,"moe2D_Q_VSA_FHYD":0.732,"moe2D_Q_VSA_FNEG":0.4533,"moe2D_Q_VSA_FPNEG":0.09419,"moe2D_Q_VSA_FPOL":0.268,"moe2D_Q_VSA_FPOS":0.5467,"moe2D_Q_VSA_FPPOS":0.1738,"moe2D_Q_VSA_HYD":124.9,"moe2D_Q_VSA_NEG":77.35,"moe2D_Q_VSA_PNEG":16.07,"moe2D_Q_VSA_POL":45.73,"moe2D_Q_VSA_POS":93.27,"moe2D_Q_VSA_PPOS":29.66,"moe2D_SMR":4.24,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":28.67,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.863,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.545,"moe2D_VDistMa":6.584,"moe2D_Weight":150.2,"moe2D_a_IC":28.49,"moe2D_a_ICM":1.357,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":21,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":24.11,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1818,"moe2D_b_ar":6,"moe2D_b_count":21,"moe2D_b_double":1,"moe2D_b_heavy":11,"moe2D_b_rotN":3,"moe2D_b_rotR":0.2727,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.24,"moe2D_bpol":13.81,"moe2D_chi0":8.104,"moe2D_chi0_C":6.397,"moe2D_chi0v":6.41,"moe2D_chi0v_C":5.594,"moe2D_chi1":5.343,"moe2D_chi1_C":3.857,"moe2D_chi1v":3.565,"moe2D_chi1v_C":2.868,"moeGao_chi2_C":2.398,"moeGao_chi2v_C":1.366,"moeGao_chi3c":0.4024,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.125,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":3.199,"moeGao_chi3p_C":1.65,"moeGao_chi3pv":1.285,"moeGao_chi3pv_C":0.7738,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.394,"moeGao_chi4ca_C":1.134,"moeGao_chi4cav":0.7887,"moeGao_chi4cav_C":0.4382,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.02,"moeGao_chi4pc_C":0.2357,"moeGao_chi4pcv":0.2418,"moeGao_chi4pcv_C":0.09623,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7018,"moe2D_diameter":7,"moe2D_kS_aaCH":8.956,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.6059,"moe2D_kS_dCH2":0,"moe2D_kS_dO":11.02,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.2564,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.792,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.4243,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.789,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.188,"moe2D_logS":-2.094,"moe2D_mr":4.426,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":170.6,"moe2D_vdw_vol":214,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":132.7,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":164,"moe2D_weinerPol":12,"moe2D_zagreb":48}
{"Molecule":"ethylacetate","moeGao_Abra_L":2.36,"moeGao_Abra_R":0.306,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.424,"moeGao_Abra_pi":0.558,"moe2D_BCUT_PEOE_0":-2.383,"moe2D_BCUT_PEOE_1":-0.1454,"moe2D_BCUT_PEOE_2":0.04854,"moe2D_BCUT_PEOE_3":2.378,"moe2D_BCUT_SLOGP_0":-2.404,"moe2D_BCUT_SLOGP_1":-0.01889,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.378,"moe2D_BCUT_SMR_0":-2.157,"moe2D_BCUT_SMR_1":0.06678,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.601,"moe2D_GCUT_PEOE_0":-0.7635,"moe2D_GCUT_PEOE_1":-0.2999,"moe2D_GCUT_PEOE_2":-0.1115,"moe2D_GCUT_PEOE_3":1.82,"moe2D_GCUT_SLOGP_0":-0.8451,"moe2D_GCUT_SLOGP_1":-0.1915,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.82,"moe2D_GCUT_SMR_0":-0.5136,"moe2D_GCUT_SMR_1":-0.1055,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.025,"moe2D_Kier1":6,"moe2D_Kier2":3.2,"moe2D_Kier3":5.333,"moe2D_KierA1":5.037,"moe2D_KierA2":2.574,"moe2D_KierA3":4.107,"moe2D_KierFlex":2.16,"moe2D_PEOE_PC.":0.6219,"moe2D_PEOE_PC..1":-0.6219,"moe2D_PEOE_RPC.":0.4165,"moe2D_PEOE_RPC..1":0.5076,"moe2D_PEOE_VSA.0":44.34,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.7377,"moe2D_PEOE_VSA_FNEG":0.2967,"moe2D_PEOE_VSA_FPNEG":0.1369,"moe2D_PEOE_VSA_FPOL":0.2623,"moe2D_PEOE_VSA_FPOS":0.7033,"moe2D_PEOE_VSA_FPPOS":0.1253,"moe2D_PEOE_VSA_HYD":86.57,"moe2D_PEOE_VSA_NEG":34.82,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":82.53,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1,"moe2D_Q_PC..1":-1,"moe2D_Q_RPC.":0.659,"moe2D_Q_RPC..1":0.57,"moe2D_Q_VSA_FHYD":0.6103,"moe2D_Q_VSA_FNEG":0.1369,"moe2D_Q_VSA_FPNEG":0.1369,"moe2D_Q_VSA_FPOL":0.3897,"moe2D_Q_VSA_FPOS":0.8631,"moe2D_Q_VSA_FPPOS":0.2527,"moe2D_Q_VSA_HYD":71.62,"moe2D_Q_VSA_NEG":16.07,"moe2D_Q_VSA_PNEG":16.07,"moe2D_Q_VSA_POL":45.73,"moe2D_Q_VSA_POS":101.3,"moe2D_Q_VSA_PPOS":29.66,"moe2D_SMR":2.231,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":28.67,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.5694,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.909,"moe2D_VDistMa":4.742,"moe2D_Weight":88.11,"moe2D_a_IC":19.3,"moe2D_a_ICM":1.379,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":13.98,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.2,"moe2D_b_ar":0,"moe2D_b_count":13,"moe2D_b_double":1,"moe2D_b_heavy":5,"moe2D_b_rotN":2,"moe2D_b_rotR":0.4,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2.693,"moe2D_bpol":11.62,"moe2D_chi0":4.992,"moe2D_chi0_C":3.284,"moe2D_chi0v":4.024,"moe2D_chi0v_C":3.207,"moe2D_chi1":2.77,"moe2D_chi1_C":1.284,"moe2D_chi1v":1.904,"moe2D_chi1v_C":1.207,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.08333,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.866,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.3476,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.5774,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2033,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.05893,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7137,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.822,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.2106,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.172,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.4815,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.403,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.526,"moe2D_logS":-0.3333,"moe2D_mr":2.367,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":117.3,"moe2D_vdw_vol":123.5,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":80.88,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":32,"moe2D_weinerPol":3,"moe2D_zagreb":20}
{"Molecule":"ethylacrylate","moeGao_Abra_L":2.752,"moeGao_Abra_R":0.433,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.447,"moeGao_Abra_pi":0.598,"moe2D_BCUT_PEOE_0":-2.368,"moe2D_BCUT_PEOE_1":-0.3603,"moe2D_BCUT_PEOE_2":0.2451,"moe2D_BCUT_PEOE_3":2.357,"moe2D_BCUT_SLOGP_0":-2.386,"moe2D_BCUT_SLOGP_1":-0.2479,"moe2D_BCUT_SLOGP_2":0.2896,"moe2D_BCUT_SLOGP_3":2.364,"moe2D_BCUT_SMR_0":-2.143,"moe2D_BCUT_SMR_1":-0.1187,"moe2D_BCUT_SMR_2":0.3337,"moe2D_BCUT_SMR_3":2.582,"moe2D_GCUT_PEOE_0":-0.7613,"moe2D_GCUT_PEOE_1":-0.3914,"moe2D_GCUT_PEOE_2":-0.0383,"moe2D_GCUT_PEOE_3":1.82,"moe2D_GCUT_SLOGP_0":-0.844,"moe2D_GCUT_SLOGP_1":-0.2785,"moe2D_GCUT_SLOGP_2":0.00722,"moe2D_GCUT_SLOGP_3":1.83,"moe2D_GCUT_SMR_0":-0.5135,"moe2D_GCUT_SMR_1":-0.1611,"moe2D_GCUT_SMR_2":0.03905,"moe2D_GCUT_SMR_3":2.048,"moe2D_Kier1":7,"moe2D_Kier2":4.167,"moe2D_Kier3":3.84,"moe2D_KierA1":5.294,"moe2D_KierA2":2.979,"moe2D_KierA3":2.575,"moe2D_KierFlex":2.253,"moe2D_PEOE_PC.":0.7061,"moe2D_PEOE_PC..1":-0.7061,"moe2D_PEOE_RPC.":0.4051,"moe2D_PEOE_RPC..1":0.4421,"moe2D_PEOE_VSA.0":25.05,"moe2D_PEOE_VSA.1":36.28,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":22.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.7689,"moe2D_PEOE_VSA_FNEG":0.429,"moe2D_PEOE_VSA_FPNEG":0.1207,"moe2D_PEOE_VSA_FPOL":0.2311,"moe2D_PEOE_VSA_FPOS":0.571,"moe2D_PEOE_VSA_FPPOS":0.1105,"moe2D_PEOE_VSA_HYD":102.4,"moe2D_PEOE_VSA_NEG":57.12,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":76.04,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1.436,"moe2D_Q_PC..1":-1.436,"moe2D_Q_RPC.":0.4915,"moe2D_Q_RPC..1":0.397,"moe2D_Q_VSA_FHYD":0.4891,"moe2D_Q_VSA_FNEG":0.3802,"moe2D_Q_VSA_FPNEG":0.2882,"moe2D_Q_VSA_FPOL":0.5109,"moe2D_Q_VSA_FPOS":0.6198,"moe2D_Q_VSA_FPPOS":0.2227,"moe2D_Q_VSA_HYD":65.13,"moe2D_Q_VSA_NEG":50.63,"moe2D_Q_VSA_PNEG":38.37,"moe2D_Q_VSA_POL":68.03,"moe2D_Q_VSA_POS":82.53,"moe2D_Q_VSA_PPOS":29.66,"moe2D_SMR":2.683,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":17.64,"moe2D_SMR_VSA6":28.67,"moe2D_SMR_VSA7":65.43,"moe2D_SlogP":0.7355,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":17.64,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":65.43,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":2.136,"moe2D_VDistMa":5.216,"moe2D_Weight":100.1,"moe2D_a_IC":20.99,"moe2D_a_ICM":1.4,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":15,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":15.74,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":2,"moe2D_b_heavy":6,"moe2D_b_rotN":3,"moe2D_b_rotR":0.5,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2.906,"moe2D_bpol":11.62,"moe2D_chi0":5.699,"moe2D_chi0_C":3.992,"moe2D_chi0v":4.308,"moe2D_chi0v_C":3.492,"moe2D_chi1":3.308,"moe2D_chi1_C":1.822,"moe2D_chi1v":2.101,"moe2D_chi1v_C":1.404,"moeGao_chi2_C":0.4082,"moeGao_chi2v_C":0.2041,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.04811,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.478,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.4533,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6969,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2012,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.06804,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7051,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":3.205,"moe2D_kS_dO":10.07,"moe2D_kS_dsCH":1.142,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.3588,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.751,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.4215,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.434,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.062,"moe2D_logS":-0.8221,"moe2D_mr":2.793,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":133.2,"moe2D_vdw_vol":142,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":96.68,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":50,"moe2D_weinerPol":5,"moe2D_zagreb":24}
{"Molecule":"ethylbenzene","moeGao_Abra_L":3.919,"moeGao_Abra_R":0.664,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.133,"moeGao_Abra_pi":0.553,"moe2D_BCUT_PEOE_0":-2.421,"moe2D_BCUT_PEOE_1":-0.5608,"moe2D_BCUT_PEOE_2":0.6192,"moe2D_BCUT_PEOE_3":2.363,"moe2D_BCUT_SLOGP_0":-2.312,"moe2D_BCUT_SLOGP_1":-0.457,"moe2D_BCUT_SLOGP_2":0.7205,"moe2D_BCUT_SLOGP_3":2.48,"moe2D_BCUT_SMR_0":-2.158,"moe2D_BCUT_SMR_1":-0.4266,"moe2D_BCUT_SMR_2":0.7601,"moe2D_BCUT_SMR_3":2.638,"moe2D_GCUT_PEOE_0":-0.775,"moe2D_GCUT_PEOE_1":-0.3554,"moe2D_GCUT_PEOE_2":0.06557,"moe2D_GCUT_PEOE_3":2.073,"moe2D_GCUT_SLOGP_0":-0.6918,"moe2D_GCUT_SLOGP_1":-0.2357,"moe2D_GCUT_SLOGP_2":0.147,"moe2D_GCUT_SLOGP_3":2.22,"moe2D_GCUT_SMR_0":-0.5129,"moe2D_GCUT_SMR_1":-0.1921,"moe2D_GCUT_SMR_2":0.1693,"moe2D_GCUT_SMR_3":2.358,"moe2D_Kier1":6.125,"moe2D_Kier2":3.111,"moe2D_Kier3":1.8,"moe2D_KierA1":4.365,"moe2D_KierA2":2.092,"moe2D_KierA3":1.15,"moe2D_KierFlex":1.142,"moe2D_PEOE_PC.":0.4413,"moe2D_PEOE_PC..1":-0.4413,"moe2D_PEOE_RPC.":0.1406,"moe2D_PEOE_RPC..1":0.1399,"moe2D_PEOE_VSA.0":21.33,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":10.91,"moe2D_PEOE_VSA.1.1":80.02,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6807,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3193,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":133.6,"moe2D_PEOE_VSA_NEG":90.93,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":42.65,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.8935,"moe2D_Q_PC..1":-0.8935,"moe2D_Q_RPC.":0.1679,"moe2D_Q_RPC..1":0.1679,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.4752,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.5248,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":133.6,"moe2D_Q_VSA_NEG":63.48,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":70.1,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.582,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":107.1,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":2.249,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":18.87,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.06,"moe2D_VDistMa":5.642,"moe2D_Weight":106.2,"moe2D_a_IC":17.84,"moe2D_a_ICM":0.9911,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":18,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":20.75,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.125,"moe2D_b_ar":6,"moe2D_b_count":18,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":1,"moe2D_b_rotR":0.125,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2.189,"moe2D_bpol":10.93,"moe2D_chi0":5.82,"moe2D_chi0_C":5.82,"moe2D_chi0v":5.094,"moe2D_chi0v_C":5.094,"moe2D_chi1":3.932,"moe2D_chi1_C":3.932,"moe2D_chi1v":2.971,"moe2D_chi1v_C":2.971,"moeGao_chi2_C":2.912,"moeGao_chi2v_C":1.839,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":2.302,"moeGao_chi3p_C":2.302,"moeGao_chi3pv":1.251,"moeGao_chi3pv_C":1.251,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.595,"moeGao_chi4ca_C":1.595,"moeGao_chi4cav":0.7137,"moeGao_chi4cav_C":0.7137,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0.4928,"moeGao_chi4pcv":0.2539,"moeGao_chi4pcv_C":0.2539,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5974,"moe2D_diameter":5,"moe2D_kS_aaCH":10.46,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.41,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.162,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.14,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.021,"moe2D_logS":-2.374,"moe2D_mr":3.655,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":133.6,"moe2D_vdw_vol":177.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":126.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":64,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"ethylenediamine","moeGao_Abra_L":2.69,"moeGao_Abra_R":0.418,"moeGao_Abra_acidity":0.384,"moeGao_Abra_basicity":1.033,"moeGao_Abra_pi":0.627,"moe2D_BCUT_PEOE_0":-2.496,"moe2D_BCUT_PEOE_1":-0.2364,"moe2D_BCUT_PEOE_2":0.3617,"moe2D_BCUT_PEOE_3":2.397,"moe2D_BCUT_SLOGP_0":-2.792,"moe2D_BCUT_SLOGP_1":-0.1944,"moe2D_BCUT_SLOGP_2":0.4227,"moe2D_BCUT_SLOGP_3":2.207,"moe2D_BCUT_SMR_0":-2.218,"moe2D_BCUT_SMR_1":-0.162,"moe2D_BCUT_SMR_2":0.392,"moe2D_BCUT_SMR_3":2.662,"moe2D_GCUT_PEOE_0":-0.8424,"moe2D_GCUT_PEOE_1":-0.2235,"moe2D_GCUT_PEOE_2":0.03728,"moe2D_GCUT_PEOE_3":1.768,"moe2D_GCUT_SLOGP_0":-1.366,"moe2D_GCUT_SLOGP_1":-0.1956,"moe2D_GCUT_SLOGP_2":0.1176,"moe2D_GCUT_SLOGP_3":1.638,"moe2D_GCUT_SMR_0":-0.509,"moe2D_GCUT_SMR_1":-0.1358,"moe2D_GCUT_SMR_2":0.05831,"moe2D_GCUT_SMR_3":1.995,"moe2D_Kier1":4,"moe2D_Kier2":3,"moe2D_Kier3":4,"moe2D_KierA1":4,"moe2D_KierA2":3,"moe2D_KierA3":4,"moe2D_KierFlex":3,"moe2D_PEOE_PC.":0.6576,"moe2D_PEOE_PC..1":-0.6576,"moe2D_PEOE_RPC.":0.1798,"moe2D_PEOE_RPC..1":0.5,"moe2D_PEOE_VSA.0":43.45,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":34.48,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":13.3,"moe2D_PEOE_VSA_FHYD":0.8542,"moe2D_PEOE_VSA_FNEG":0.1458,"moe2D_PEOE_VSA_FPNEG":0.1458,"moe2D_PEOE_VSA_FPOL":0.1458,"moe2D_PEOE_VSA_FPOS":0.8542,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":77.92,"moe2D_PEOE_VSA_NEG":13.3,"moe2D_PEOE_VSA_PNEG":13.3,"moe2D_PEOE_VSA_POL":13.3,"moe2D_PEOE_VSA_POS":77.92,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.98,"moe2D_Q_PC..1":-1.98,"moe2D_Q_RPC.":0.1818,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.187,"moe2D_Q_VSA_FNEG":0.1458,"moe2D_Q_VSA_FPNEG":0.1458,"moe2D_Q_VSA_FPOL":0.813,"moe2D_Q_VSA_FPOS":0.8542,"moe2D_Q_VSA_FPPOS":0.6672,"moe2D_Q_VSA_HYD":17.06,"moe2D_Q_VSA_NEG":13.3,"moe2D_Q_VSA_PNEG":13.3,"moe2D_Q_VSA_POL":74.16,"moe2D_Q_VSA_POS":77.92,"moe2D_Q_VSA_PPOS":60.86,"moe2D_SMR":1.811,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":65.79,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":36.88,"moe2D_SMR_VSA7":0,"moe2D_SlogP":-1.096,"moe2D_SlogP_VSA0":65.79,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":36.88,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":52.04,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1.459,"moe2D_VDistMa":3.446,"moe2D_Weight":60.1,"moe2D_a_IC":15.02,"moe2D_a_ICM":1.252,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":12,"moe2D_a_don":2,"moe2D_a_heavy":4,"moe2D_a_hyd":2,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":2,"moe2D_a_nO":0,"moe2D_apol":11.05,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":11,"moe2D_b_double":0,"moe2D_b_heavy":3,"moe2D_b_rotN":1,"moe2D_b_rotR":0.3333,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":1.975,"moe2D_bpol":7.426,"moe2D_chi0":3.414,"moe2D_chi0_C":1.414,"moe2D_chi0v":2.569,"moe2D_chi0v_C":1.414,"moe2D_chi1":1.914,"moe2D_chi1_C":0.5,"moe2D_chi1v":1.316,"moe2D_chi1v_C":0.5,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.1667,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6526,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":9.806,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.194,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-1.542,"moe2D_logS":1.027,"moe2D_mr":1.712,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":91.22,"moe2D_vdw_vol":92.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":40.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":35.48,"moe2D_weinerPath":10,"moe2D_weinerPol":1,"moe2D_zagreb":10}
{"Molecule":"ethyleneglycol","moeGao_Abra_L":2.5,"moeGao_Abra_R":0.356,"moeGao_Abra_acidity":0.631,"moeGao_Abra_basicity":0.685,"moeGao_Abra_pi":0.756,"moe2D_BCUT_PEOE_0":-2.379,"moe2D_BCUT_PEOE_1":-0.6505,"moe2D_BCUT_PEOE_2":0.7347,"moe2D_BCUT_PEOE_3":2.368,"moe2D_BCUT_SLOGP_0":-2.52,"moe2D_BCUT_SLOGP_1":-0.7719,"moe2D_BCUT_SLOGP_2":0.5609,"moe2D_BCUT_SLOGP_3":2.223,"moe2D_BCUT_SMR_0":-2.16,"moe2D_BCUT_SMR_1":-0.5502,"moe2D_BCUT_SMR_2":0.8096,"moe2D_BCUT_SMR_3":2.569,"moe2D_GCUT_PEOE_0":-0.7992,"moe2D_GCUT_PEOE_1":-0.3855,"moe2D_GCUT_PEOE_2":0.1957,"moe2D_GCUT_PEOE_3":1.655,"moe2D_GCUT_SLOGP_0":-0.9223,"moe2D_GCUT_SLOGP_1":-0.5224,"moe2D_GCUT_SLOGP_2":-0.00225,"moe2D_GCUT_SLOGP_3":1.544,"moe2D_GCUT_SMR_0":-0.5199,"moe2D_GCUT_SMR_1":-0.2601,"moe2D_GCUT_SMR_2":0.23,"moe2D_GCUT_SMR_3":1.835,"moe2D_Kier1":4,"moe2D_Kier2":3,"moe2D_Kier3":4,"moe2D_KierA1":4,"moe2D_KierA2":3,"moe2D_KierA3":4,"moe2D_KierFlex":3,"moe2D_PEOE_PC.":0.7855,"moe2D_PEOE_PC..1":-0.7855,"moe2D_PEOE_RPC.":0.2667,"moe2D_PEOE_RPC..1":0.5,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":46.96,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":20.65,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":15.54,"moe2D_PEOE_VSA_FHYD":0.5648,"moe2D_PEOE_VSA_FNEG":0.1868,"moe2D_PEOE_VSA_FPNEG":0.1868,"moe2D_PEOE_VSA_FPOL":0.4352,"moe2D_PEOE_VSA_FPOS":0.8132,"moe2D_PEOE_VSA_FPPOS":0.2483,"moe2D_PEOE_VSA_HYD":46.96,"moe2D_PEOE_VSA_NEG":15.54,"moe2D_PEOE_VSA_PNEG":15.54,"moe2D_PEOE_VSA_POL":36.18,"moe2D_PEOE_VSA_POS":67.61,"moe2D_PEOE_VSA_PPOS":20.65,"moe2D_Q_PC.":1.36,"moe2D_Q_PC..1":-1.36,"moe2D_Q_RPC.":0.2941,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.2052,"moe2D_Q_VSA_FNEG":0.1868,"moe2D_Q_VSA_FPNEG":0.1868,"moe2D_Q_VSA_FPOL":0.7948,"moe2D_Q_VSA_FPOS":0.8132,"moe2D_Q_VSA_FPPOS":0.608,"moe2D_Q_VSA_HYD":17.06,"moe2D_Q_VSA_NEG":15.54,"moe2D_Q_VSA_PNEG":15.54,"moe2D_Q_VSA_POL":66.09,"moe2D_Q_VSA_POS":67.61,"moe2D_Q_VSA_PPOS":50.55,"moe2D_SMR":1.417,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":50.77,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":41.85,"moe2D_SMR_VSA7":0,"moe2D_SlogP":-1.029,"moe2D_SlogP_VSA0":50.77,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":40.46,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1.459,"moe2D_VDistMa":3.446,"moe2D_Weight":62.07,"moe2D_a_IC":13.71,"moe2D_a_ICM":1.371,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":10,"moe2D_a_don":2,"moe2D_a_heavy":4,"moe2D_a_hyd":2,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":9.125,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":9,"moe2D_b_double":0,"moe2D_b_heavy":3,"moe2D_b_rotN":1,"moe2D_b_rotR":0.3333,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":1.975,"moe2D_bpol":6.559,"moe2D_chi0":3.414,"moe2D_chi0_C":1.414,"moe2D_chi0v":2.309,"moe2D_chi0v_C":1.414,"moe2D_chi1":1.914,"moe2D_chi1_C":0.5,"moe2D_chi1v":1.132,"moe2D_chi1v_C":0.5,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.1,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7778,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":15.25,"moe2D_kS_ssCH2":-0.25,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-1.098,"moe2D_logS":0.8145,"moe2D_mr":1.479,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":83.15,"moe2D_vdw_vol":79.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":44.12,"moe2D_vsa_other":0,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":10,"moe2D_weinerPol":1,"moe2D_zagreb":10}
{"Molecule":"ethylhexanoate","moeGao_Abra_L":4.356,"moeGao_Abra_R":0.306,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.424,"moeGao_Abra_pi":0.558,"moe2D_BCUT_PEOE_0":-2.62,"moe2D_BCUT_PEOE_1":-0.1459,"moe2D_BCUT_PEOE_2":0.04974,"moe2D_BCUT_PEOE_3":2.586,"moe2D_BCUT_SLOGP_0":-2.5,"moe2D_BCUT_SLOGP_1":-0.01878,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.726,"moe2D_BCUT_SMR_0":-2.378,"moe2D_BCUT_SMR_1":0.0668,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.826,"moe2D_GCUT_PEOE_0":-0.796,"moe2D_GCUT_PEOE_1":-0.3006,"moe2D_GCUT_PEOE_2":-0.1103,"moe2D_GCUT_PEOE_3":2.257,"moe2D_GCUT_SLOGP_0":-0.8452,"moe2D_GCUT_SLOGP_1":-0.1914,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.349,"moe2D_GCUT_SMR_0":-0.5313,"moe2D_GCUT_SMR_1":-0.1055,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.466,"moe2D_Kier1":10,"moe2D_Kier2":7.111,"moe2D_Kier3":7,"moe2D_KierA1":9.064,"moe2D_KierA2":6.368,"moe2D_KierA3":6.207,"moe2D_KierFlex":5.772,"moe2D_PEOE_PC.":0.8395,"moe2D_PEOE_PC..1":-0.8395,"moe2D_PEOE_RPC.":0.3123,"moe2D_PEOE_RPC..1":0.3758,"moe2D_PEOE_VSA.0":68.42,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":36.15,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.8348,"moe2D_PEOE_VSA_FNEG":0.4277,"moe2D_PEOE_VSA_FPNEG":0.08627,"moe2D_PEOE_VSA_FPOL":0.1652,"moe2D_PEOE_VSA_FPOS":0.5723,"moe2D_PEOE_VSA_FPPOS":0.07896,"moe2D_PEOE_VSA_HYD":155.5,"moe2D_PEOE_VSA_NEG":79.67,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":106.6,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1,"moe2D_Q_PC..1":-1,"moe2D_Q_RPC.":0.659,"moe2D_Q_RPC..1":0.57,"moe2D_Q_VSA_FHYD":0.7545,"moe2D_Q_VSA_FNEG":0.08627,"moe2D_Q_VSA_FPNEG":0.08627,"moe2D_Q_VSA_FPOL":0.2455,"moe2D_Q_VSA_FPOS":0.9137,"moe2D_Q_VSA_FPPOS":0.1592,"moe2D_Q_VSA_HYD":140.5,"moe2D_Q_VSA_NEG":16.07,"moe2D_Q_VSA_PNEG":16.07,"moe2D_Q_VSA_POL":45.73,"moe2D_Q_VSA_POS":170.2,"moe2D_Q_VSA_PPOS":29.66,"moe2D_SMR":4.078,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":28.67,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.13,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.774,"moe2D_VDistMa":6.259,"moe2D_Weight":144.2,"moe2D_a_IC":32.21,"moe2D_a_ICM":1.239,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":26,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":16,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":26.35,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.5556,"moe2D_b_ar":0,"moe2D_b_count":25,"moe2D_b_double":1,"moe2D_b_heavy":9,"moe2D_b_rotN":6,"moe2D_b_rotR":0.6667,"moe2D_b_single":24,"moe2D_b_triple":0,"moe2D_balabanJ":2.984,"moe2D_bpol":20.37,"moe2D_chi0":7.82,"moe2D_chi0_C":6.113,"moe2D_chi0v":6.852,"moe2D_chi0v_C":6.036,"moe2D_chi1":4.808,"moe2D_chi1_C":3.322,"moe2D_chi1v":3.965,"moe2D_chi1v_C":3.268,"moeGao_chi2_C":1.496,"moeGao_chi2v_C":1.457,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.05893,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.082,"moeGao_chi3p_C":0.8077,"moeGao_chi3pv":1.29,"moeGao_chi3pv_C":0.7803,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.38,"moeGao_chi4ca_C":0.3943,"moeGao_chi4cav":0.7525,"moeGao_chi4cav_C":0.375,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.08333,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6521,"moe2D_diameter":8,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.7,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.05931,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.947,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":4.334,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.75,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.327,"moe2D_logS":-2.081,"moe2D_mr":4.239,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":186.3,"moe2D_vdw_vol":221.2,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":144.1,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":150,"moe2D_weinerPol":8,"moe2D_zagreb":36}
{"Molecule":"eugenol","moeGao_Abra_L":5.533,"moeGao_Abra_R":0.903,"moeGao_Abra_acidity":0.322,"moeGao_Abra_basicity":0.4,"moeGao_Abra_pi":0.587,"moe2D_BCUT_PEOE_0":-2.347,"moe2D_BCUT_PEOE_1":-0.6681,"moe2D_BCUT_PEOE_2":0.663,"moe2D_BCUT_PEOE_3":2.305,"moe2D_BCUT_SLOGP_0":-2.266,"moe2D_BCUT_SLOGP_1":-0.5796,"moe2D_BCUT_SLOGP_2":0.7582,"moe2D_BCUT_SLOGP_3":2.466,"moe2D_BCUT_SMR_0":-2.053,"moe2D_BCUT_SMR_1":-0.4808,"moe2D_BCUT_SMR_2":0.8429,"moe2D_BCUT_SMR_3":2.605,"moe2D_GCUT_PEOE_0":-0.7827,"moe2D_GCUT_PEOE_1":-0.4213,"moe2D_GCUT_PEOE_2":0.0608,"moe2D_GCUT_PEOE_3":2.194,"moe2D_GCUT_SLOGP_0":-0.8869,"moe2D_GCUT_SLOGP_1":-0.291,"moe2D_GCUT_SLOGP_2":0.1475,"moe2D_GCUT_SLOGP_3":2.364,"moe2D_GCUT_SMR_0":-0.4837,"moe2D_GCUT_SMR_1":-0.2181,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.479,"moe2D_Kier1":10.08,"moe2D_Kier2":4.889,"moe2D_Kier3":2.778,"moe2D_KierA1":7.55,"moe2D_KierA2":3.554,"moe2D_KierA3":1.972,"moe2D_KierFlex":2.236,"moe2D_PEOE_PC.":1.053,"moe2D_PEOE_PC..1":-1.053,"moe2D_PEOE_RPC.":0.2065,"moe2D_PEOE_RPC..1":0.3393,"moe2D_PEOE_VSA.0":33.53,"moe2D_PEOE_VSA.1":38.39,"moe2D_PEOE_VSA.2":16.92,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":35.42,"moe2D_PEOE_VSA.1.1":24.51,"moe2D_PEOE_VSA.2.1":22.3,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":10.27,"moe2D_PEOE_VSA_FHYD":0.8925,"moe2D_PEOE_VSA_FNEG":0.4826,"moe2D_PEOE_VSA_FPNEG":0.05359,"moe2D_PEOE_VSA_FPOL":0.1075,"moe2D_PEOE_VSA_FPOS":0.5174,"moe2D_PEOE_VSA_FPPOS":0.05387,"moe2D_PEOE_VSA_HYD":171.1,"moe2D_PEOE_VSA_NEG":92.5,"moe2D_PEOE_VSA_PNEG":10.27,"moe2D_PEOE_VSA_POL":20.6,"moe2D_PEOE_VSA_POS":99.16,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":2.077,"moe2D_Q_PC..1":-2.077,"moe2D_Q_RPC.":0.2167,"moe2D_Q_RPC..1":0.2564,"moe2D_Q_VSA_FHYD":0.5364,"moe2D_Q_VSA_FNEG":0.4372,"moe2D_Q_VSA_FPNEG":0.2339,"moe2D_Q_VSA_FPOL":0.4636,"moe2D_Q_VSA_FPOS":0.5628,"moe2D_Q_VSA_FPPOS":0.2297,"moe2D_Q_VSA_HYD":102.8,"moe2D_Q_VSA_NEG":83.8,"moe2D_Q_VSA_PNEG":44.83,"moe2D_Q_VSA_POL":88.85,"moe2D_Q_VSA_POS":107.9,"moe2D_Q_VSA_PPOS":44.02,"moe2D_SMR":4.856,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":36.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":13.67,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":89.44,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":67.48,"moe2D_SlogP":2.129,"moe2D_SlogP_VSA0":36.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":54.25,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":42.59,"moe2D_TPSA":29.46,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.591,"moe2D_VDistMa":6.849,"moe2D_Weight":164.2,"moe2D_a_IC":31.8,"moe2D_a_ICM":1.325,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":24,"moe2D_a_don":1,"moe2D_a_heavy":12,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":27.21,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.25,"moe2D_b_ar":6,"moe2D_b_count":24,"moe2D_b_double":1,"moe2D_b_heavy":12,"moe2D_b_rotN":3,"moe2D_b_rotR":0.25,"moe2D_b_single":17,"moe2D_b_triple":0,"moe2D_balabanJ":2.363,"moe2D_bpol":15.03,"moe2D_chi0":8.975,"moe2D_chi0_C":7.268,"moe2D_chi0v":7.079,"moe2D_chi0v_C":6.224,"moe2D_chi1":5.774,"moe2D_chi1_C":4.082,"moe2D_chi1v":3.744,"moe2D_chi1v_C":2.908,"moeGao_chi2_C":2.939,"moeGao_chi2v_C":1.834,"moeGao_chi3c":0.6065,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.2413,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":3.692,"moeGao_chi3p_C":2.075,"moeGao_chi3pv":1.624,"moeGao_chi3pv_C":1.102,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.752,"moeGao_chi4ca_C":1.527,"moeGao_chi4cav":1.016,"moeGao_chi4cav_C":0.6729,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.454,"moeGao_chi4pc_C":0.4065,"moeGao_chi4pcv":0.4447,"moeGao_chi4pcv_C":0.195,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6846,"moe2D_diameter":7,"moe2D_kS_aaCH":5.272,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.763,"moe2D_kS_dCH2":3.631,"moe2D_kS_dO":0,"moe2D_kS_dsCH":1.811,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.534,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.252,"moe2D_kS_ssCH2":0.7883,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.948,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.511,"moe2D_logS":-2.545,"moe2D_mr":4.874,"moe2D_opr_brigid":7,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":191.7,"moe2D_vdw_vol":239.9,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":163.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":16.07,"moe2D_weinerPath":204,"moe2D_weinerPol":15,"moe2D_zagreb":54}
{"Molecule":"glutaraldehyde(glutaral)","moeGao_Abra_L":3.555,"moeGao_Abra_R":0.302,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.761,"moeGao_Abra_pi":1.117,"moe2D_BCUT_PEOE_0":-2.493,"moe2D_BCUT_PEOE_1":-0.3555,"moe2D_BCUT_PEOE_2":0.2837,"moe2D_BCUT_PEOE_3":2.512,"moe2D_BCUT_SLOGP_0":-2.421,"moe2D_BCUT_SLOGP_1":-0.2644,"moe2D_BCUT_SLOGP_2":0.3582,"moe2D_BCUT_SLOGP_3":2.6,"moe2D_BCUT_SMR_0":-2.263,"moe2D_BCUT_SMR_1":-0.1792,"moe2D_BCUT_SMR_2":0.3742,"moe2D_BCUT_SMR_3":2.748,"moe2D_GCUT_PEOE_0":-0.7538,"moe2D_GCUT_PEOE_1":-0.2988,"moe2D_GCUT_PEOE_2":-0.03092,"moe2D_GCUT_PEOE_3":1.983,"moe2D_GCUT_SLOGP_0":-0.8127,"moe2D_GCUT_SLOGP_1":-0.2318,"moe2D_GCUT_SLOGP_2":0.05434,"moe2D_GCUT_SLOGP_3":2.039,"moe2D_GCUT_SMR_0":-0.5161,"moe2D_GCUT_SMR_1":-0.1521,"moe2D_GCUT_SMR_2":0.05369,"moe2D_GCUT_SMR_3":2.202,"moe2D_Kier1":7,"moe2D_Kier2":6,"moe2D_Kier3":6,"moe2D_KierA1":5.184,"moe2D_KierA2":4.182,"moe2D_KierA3":3.902,"moe2D_KierFlex":3.097,"moe2D_PEOE_PC.":0.6423,"moe2D_PEOE_PC..1":-0.6423,"moe2D_PEOE_RPC.":0.1873,"moe2D_PEOE_RPC..1":0.4687,"moe2D_PEOE_VSA.0":42.99,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":45.54,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":27.13,"moe2D_PEOE_VSA_FHYD":0.7818,"moe2D_PEOE_VSA_FNEG":0.2881,"moe2D_PEOE_VSA_FPNEG":0.2182,"moe2D_PEOE_VSA_FPOL":0.2182,"moe2D_PEOE_VSA_FPOS":0.7119,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":97.24,"moe2D_PEOE_VSA_NEG":35.84,"moe2D_PEOE_VSA_PNEG":27.13,"moe2D_PEOE_VSA_POL":27.13,"moe2D_PEOE_VSA_POS":88.54,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.14,"moe2D_Q_PC..1":-1.14,"moe2D_Q_RPC.":0.3939,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.4843,"moe2D_Q_VSA_FNEG":0.2182,"moe2D_Q_VSA_FPNEG":0.2182,"moe2D_Q_VSA_FPOL":0.5157,"moe2D_Q_VSA_FPOS":0.7818,"moe2D_Q_VSA_FPPOS":0.2976,"moe2D_Q_VSA_HYD":60.23,"moe2D_Q_VSA_NEG":27.13,"moe2D_Q_VSA_PNEG":27.13,"moe2D_Q_VSA_POL":64.14,"moe2D_Q_VSA_POS":97.24,"moe2D_Q_VSA_PPOS":37.01,"moe2D_SMR":2.598,"moe2D_SMR_VSA0":47.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":56.61,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":40.29,"moe2D_SlogP":0.5545,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":88.01,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":56.61,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":34.14,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":2.398,"moe2D_VDistMa":5.169,"moe2D_Weight":100.1,"moe2D_a_IC":20.99,"moe2D_a_ICM":1.4,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":15,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":15.74,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.6667,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":2,"moe2D_b_heavy":6,"moe2D_b_rotN":4,"moe2D_b_rotR":0.6667,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2.479,"moe2D_bpol":10.66,"moe2D_chi0":5.536,"moe2D_chi0_C":3.536,"moe2D_chi0v":4.093,"moe2D_chi0v_C":3.276,"moe2D_chi1":3.414,"moe2D_chi1_C":2,"moe2D_chi1v":2.288,"moe2D_chi1v_C":1.816,"moeGao_chi2_C":1.061,"moeGao_chi2v_C":0.9309,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.207,"moeGao_chi3p_C":0.5,"moeGao_chi3pv":0.644,"moeGao_chi3pv_C":0.4082,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6768,"moeGao_chi4ca_C":0.1768,"moeGao_chi4cav":0.2845,"moeGao_chi4cav_C":0.1179,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7234,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":19.13,"moe2D_kS_dsCH":1.646,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.727,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.418,"moe2D_logS":0.3788,"moe2D_mr":2.811,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":124.4,"moe2D_vdw_vol":138.4,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":47.43,"moe2D_vsa_other":44.12,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":56,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"glyoxal","moeGao_Abra_L":2.058,"moeGao_Abra_R":0.302,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.761,"moeGao_Abra_pi":1.117,"moe2D_BCUT_PEOE_0":-1.716,"moe2D_BCUT_PEOE_1":-0.3904,"moe2D_BCUT_PEOE_2":0.214,"moe2D_BCUT_PEOE_3":1.949,"moe2D_BCUT_SLOGP_0":-2.015,"moe2D_BCUT_SLOGP_1":-0.3517,"moe2D_BCUT_SLOGP_2":0.2256,"moe2D_BCUT_SLOGP_3":1.653,"moe2D_BCUT_SMR_0":-1.472,"moe2D_BCUT_SMR_1":-0.1889,"moe2D_BCUT_SMR_2":0.3733,"moe2D_BCUT_SMR_3":2.204,"moe2D_GCUT_PEOE_0":-0.6222,"moe2D_GCUT_PEOE_1":-0.3534,"moe2D_GCUT_PEOE_2":-0.01682,"moe2D_GCUT_PEOE_3":1.304,"moe2D_GCUT_SLOGP_0":-0.9042,"moe2D_GCUT_SLOGP_1":-0.358,"moe2D_GCUT_SLOGP_2":-0.0326,"moe2D_GCUT_SLOGP_3":1.086,"moe2D_GCUT_SMR_0":-0.3395,"moe2D_GCUT_SMR_1":-0.16,"moe2D_GCUT_SMR_2":0.09363,"moe2D_GCUT_SMR_3":1.551,"moe2D_Kier1":4,"moe2D_Kier2":3,"moe2D_Kier3":4,"moe2D_KierA1":2.176,"moe2D_KierA2":1.176,"moe2D_KierA3":0.784,"moe2D_KierFlex":0.6397,"moe2D_PEOE_PC.":0.5859,"moe2D_PEOE_PC..1":-0.5859,"moe2D_PEOE_RPC.":0.3107,"moe2D_PEOE_RPC..1":0.5,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":8.531,"moe2D_PEOE_VSA.3":37.01,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":27.13,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.6266,"moe2D_PEOE_VSA_FNEG":0.3734,"moe2D_PEOE_VSA_FPNEG":0.3734,"moe2D_PEOE_VSA_FPOL":0.3734,"moe2D_PEOE_VSA_FPOS":0.6266,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":45.54,"moe2D_PEOE_VSA_NEG":27.13,"moe2D_PEOE_VSA_PNEG":27.13,"moe2D_PEOE_VSA_POL":27.13,"moe2D_PEOE_VSA_POS":45.54,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.14,"moe2D_Q_PC..1":-1.14,"moe2D_Q_RPC.":0.4474,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.1174,"moe2D_Q_VSA_FNEG":0.3734,"moe2D_Q_VSA_FPNEG":0.3734,"moe2D_Q_VSA_FPOL":0.8826,"moe2D_Q_VSA_FPOS":0.6266,"moe2D_Q_VSA_FPPOS":0.5093,"moe2D_Q_VSA_HYD":8.531,"moe2D_Q_VSA_NEG":27.13,"moe2D_Q_VSA_PNEG":27.13,"moe2D_Q_VSA_POL":64.14,"moe2D_Q_VSA_POS":45.54,"moe2D_Q_VSA_PPOS":37.01,"moe2D_SMR":1.213,"moe2D_SMR_VSA0":47.72,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":40.29,"moe2D_SlogP":-0.6158,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":88.01,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":34.14,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1.459,"moe2D_VDistMa":3.446,"moe2D_Weight":58.04,"moe2D_a_IC":9.51,"moe2D_a_ICM":1.585,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":6,"moe2D_a_don":0,"moe2D_a_heavy":4,"moe2D_a_hyd":0,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":2,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":6.458,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":5,"moe2D_b_double":2,"moe2D_b_heavy":3,"moe2D_b_rotN":1,"moe2D_b_rotR":0.3333,"moe2D_b_single":3,"moe2D_b_triple":0,"moe2D_balabanJ":2.225,"moe2D_bpol":4.102,"moe2D_chi0":3.414,"moe2D_chi0_C":1.414,"moe2D_chi0v":1.971,"moe2D_chi0v_C":1.155,"moe2D_chi1":1.914,"moe2D_chi1_C":0.5,"moe2D_chi1v":0.8047,"moe2D_chi1v_C":0.3333,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.05556,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8913,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":17.61,"moe2D_kS_dsCH":0.3889,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.2,"moe2D_logS":0.3444,"moe2D_mr":1.382,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":72.67,"moe2D_vdw_vol":65.11,"moe2D_vsa_acc":27.13,"moe2D_vsa_don":0,"moe2D_vsa_hyd":0,"moe2D_vsa_other":44.12,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":10,"moe2D_weinerPol":1,"moe2D_zagreb":10}
{"Molecule":"hexachlorocyclohexene(cyclohexene","moeGao_Abra_L":7.408,"moeGao_Abra_R":0.98,"moeGao_Abra_acidity":0.144,"moeGao_Abra_basicity":0.202,"moeGao_Abra_pi":0.985,"moe2D_BCUT_PEOE_0":-2.686,"moe2D_BCUT_PEOE_1":-0.2785,"moe2D_BCUT_PEOE_2":0.2242,"moe2D_BCUT_PEOE_3":2.78,"moe2D_BCUT_SLOGP_0":-2.484,"moe2D_BCUT_SLOGP_1":0.07152,"moe2D_BCUT_SLOGP_2":0.7093,"moe2D_BCUT_SLOGP_3":2.996,"moe2D_BCUT_SMR_0":-2.451,"moe2D_BCUT_SMR_1":0.04062,"moe2D_BCUT_SMR_2":0.6382,"moe2D_BCUT_SMR_3":3.022,"moe2D_GCUT_PEOE_0":-0.7056,"moe2D_GCUT_PEOE_1":-0.2817,"moe2D_GCUT_PEOE_2":-0.0741,"moe2D_GCUT_PEOE_3":2.347,"moe2D_GCUT_SLOGP_0":-0.5306,"moe2D_GCUT_SLOGP_1":-0.00406,"moe2D_GCUT_SLOGP_2":0.456,"moe2D_GCUT_SLOGP_3":2.621,"moe2D_GCUT_SMR_0":-0.4885,"moe2D_GCUT_SMR_1":-0.01603,"moe2D_GCUT_SMR_2":0.3783,"moe2D_GCUT_SMR_3":2.624,"moe2D_Kier1":10.08,"moe2D_Kier2":3.395,"moe2D_Kier3":1.562,"moe2D_KierA1":19.31,"moe2D_KierA2":6.876,"moe2D_KierA3":3.304,"moe2D_KierFlex":11.06,"moe2D_PEOE_PC.":0.712,"moe2D_PEOE_PC..1":-0.712,"moe2D_PEOE_RPC.":0.09712,"moe2D_PEOE_RPC..1":0.1667,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":5.797,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":177.5,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8497,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1503,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":208.9,"moe2D_PEOE_VSA_NEG":177.5,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":31.39,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.74,"moe2D_Q_PC..1":-1.74,"moe2D_Q_RPC.":0.1667,"moe2D_Q_RPC..1":0.1667,"moe2D_Q_VSA_FHYD":0.1225,"moe2D_Q_VSA_FNEG":0.8497,"moe2D_Q_VSA_FPNEG":0.8497,"moe2D_Q_VSA_FPOL":0.8775,"moe2D_Q_VSA_FPOS":0.1503,"moe2D_Q_VSA_FPPOS":0.02775,"moe2D_Q_VSA_HYD":25.59,"moe2D_Q_VSA_NEG":177.5,"moe2D_Q_VSA_PNEG":177.5,"moe2D_Q_VSA_POL":183.3,"moe2D_Q_VSA_POS":31.39,"moe2D_Q_VSA_PPOS":5.797,"moe2D_SMR":5.762,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":28.35,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":234.9,"moe2D_SlogP":6.164,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":28.35,"moe2D_SlogP_VSA9":234.9,"moe2D_TPSA":0,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.134,"moe2D_VDistMa":6.91,"moe2D_Weight":290.8,"moe2D_a_IC":28.53,"moe2D_a_ICM":1.585,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":18,"moe2D_a_don":0,"moe2D_a_heavy":12,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":6,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":27.64,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":18,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":18,"moe2D_b_triple":0,"moe2D_balabanJ":2.76,"moe2D_bpol":9.079,"moe2D_chi0":9.464,"moe2D_chi0_C":3.464,"moe2D_chi0v":10.27,"moe2D_chi0v_C":3.464,"moe2D_chi1":5.464,"moe2D_chi1_C":2,"moe2D_chi1v":5.928,"moe2D_chi1v_C":2,"moeGao_chi2_C":1.155,"moeGao_chi2v_C":1.155,"moeGao_chi3c":1.155,"moeGao_chi3c_C":0,"moeGao_chi3cv":1.309,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.976,"moeGao_chi3p_C":0.6667,"moeGao_chi3pv":5.857,"moeGao_chi3pv_C":0.6667,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.873,"moeGao_chi4ca_C":0.3849,"moeGao_chi4cav":3.381,"moeGao_chi4cav_C":0.3849,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":3.643,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":4.481,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.2,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":35.29,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-2.62,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":1,"moe2D_logP.o.w.":3.988,"moe2D_logS":-4.331,"moe2D_mr":5.482,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":1,"moe2D_petitjean":0.2,"moe2D_petitjeanSC":0.25,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":208.9,"moe2D_vdw_vol":242.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":204.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":174,"moe2D_weinerPol":21,"moe2D_zagreb":60}
{"Molecule":"hexachloroethane","moeGao_Abra_L":4.862,"moeGao_Abra_R":0.738,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.13,"moeGao_Abra_pi":0.811,"moe2D_BCUT_PEOE_0":-2.187,"moe2D_BCUT_PEOE_1":-0.0788,"moe2D_BCUT_PEOE_2":-0.0788,"moe2D_BCUT_PEOE_3":2.431,"moe2D_BCUT_SLOGP_0":-1.93,"moe2D_BCUT_SLOGP_1":0.6895,"moe2D_BCUT_SLOGP_2":0.6895,"moe2D_BCUT_SLOGP_3":2.704,"moe2D_BCUT_SMR_0":-1.926,"moe2D_BCUT_SMR_1":0.5853,"moe2D_BCUT_SMR_2":0.5853,"moe2D_BCUT_SMR_3":2.693,"moe2D_GCUT_PEOE_0":-0.5906,"moe2D_GCUT_PEOE_1":-0.2388,"moe2D_GCUT_PEOE_2":-0.2388,"moe2D_GCUT_PEOE_3":1.614,"moe2D_GCUT_SLOGP_0":-0.4257,"moe2D_GCUT_SLOGP_1":0.5295,"moe2D_GCUT_SLOGP_2":0.5295,"moe2D_GCUT_SLOGP_3":2.015,"moe2D_GCUT_SMR_0":-0.3952,"moe2D_GCUT_SMR_1":0.4253,"moe2D_GCUT_SMR_2":0.4253,"moe2D_GCUT_SMR_3":1.973,"moe2D_Kier1":8,"moe2D_Kier2":1.75,"moe2D_Kier3":2.222,"moe2D_KierA1":20.76,"moe2D_KierA2":5.159,"moe2D_KierA3":7.287,"moe2D_KierFlex":13.39,"moe2D_PEOE_PC.":0.4728,"moe2D_PEOE_PC..1":-0.4728,"moe2D_PEOE_RPC.":0.5,"moe2D_PEOE_RPC..1":0.1667,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":177.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":1,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":177.5,"moe2D_PEOE_VSA_NEG":177.5,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":0,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.74,"moe2D_Q_PC..1":-1.74,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":0.1667,"moe2D_Q_VSA_FHYD":0,"moe2D_Q_VSA_FNEG":1,"moe2D_Q_VSA_FPNEG":1,"moe2D_Q_VSA_FPOL":1,"moe2D_Q_VSA_FPOS":0,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":0,"moe2D_Q_VSA_NEG":177.5,"moe2D_Q_VSA_PNEG":177.5,"moe2D_Q_VSA_POL":177.5,"moe2D_Q_VSA_POS":0,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.05,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":234.9,"moe2D_SlogP":4.567,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":234.9,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.55,"moe2D_VDistMa":5.706,"moe2D_Weight":236.7,"moe2D_a_IC":6.49,"moe2D_a_ICM":0.8113,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":8,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":6,"moe2D_a_nF":0,"moe2D_a_nH":0,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":16.6,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":7,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1429,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":4.02,"moe2D_bpol":2.52,"moe2D_chi0":7,"moe2D_chi0_C":1,"moe2D_chi0v":7.803,"moe2D_chi0v_C":1,"moe2D_chi1":3.25,"moe2D_chi1_C":0.25,"moe2D_chi1v":3.652,"moe2D_chi1v_C":0.25,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":2.5,"moeGao_chi3c_C":0,"moeGao_chi3cv":3.386,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.25,"moeGao_chi3p_C":0,"moeGao_chi3pv":2.893,"moeGao_chi3pv_C":0,"moeGao_chi4c":0.5,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.7289,"moeGao_chi4cv_C":0,"moeGao_chi4pc":4.5,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":6.56,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.494,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":30.87,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-3.699,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.306,"moe2D_logS":-4.406,"moe2D_mr":3.631,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":1,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":177.5,"moe2D_vdw_vol":158.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":177.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":58,"moe2D_weinerPol":9,"moe2D_zagreb":38}
{"Molecule":"hexanal-(n-hexanal)","moeGao_Abra_L":3.411,"moeGao_Abra_R":0.171,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.423,"moeGao_Abra_pi":0.622,"moe2D_BCUT_PEOE_0":-2.62,"moe2D_BCUT_PEOE_1":-0.1571,"moe2D_BCUT_PEOE_2":0.03387,"moe2D_BCUT_PEOE_3":2.571,"moe2D_BCUT_SLOGP_0":-2.471,"moe2D_BCUT_SLOGP_1":-0.06208,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.724,"moe2D_BCUT_SMR_0":-2.374,"moe2D_BCUT_SMR_1":0.03607,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.819,"moe2D_GCUT_PEOE_0":-0.7964,"moe2D_GCUT_PEOE_1":-0.2221,"moe2D_GCUT_PEOE_2":-0.1261,"moe2D_GCUT_PEOE_3":2.142,"moe2D_GCUT_SLOGP_0":-0.808,"moe2D_GCUT_SLOGP_1":-0.1834,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.266,"moe2D_GCUT_SMR_0":-0.5304,"moe2D_GCUT_SMR_1":-0.09973,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.357,"moe2D_Kier1":7,"moe2D_Kier2":6,"moe2D_Kier3":6,"moe2D_KierA1":6.047,"moe2D_KierA2":5.037,"moe2D_KierA3":4.877,"moe2D_KierFlex":4.351,"moe2D_PEOE_PC.":0.5218,"moe2D_PEOE_PC..1":-0.5218,"moe2D_PEOE_RPC.":0.2306,"moe2D_PEOE_RPC..1":0.5769,"moe2D_PEOE_VSA.0":55.62,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":22.77,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":36.15,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":13.57,"moe2D_PEOE_VSA_FHYD":0.9008,"moe2D_PEOE_VSA_FNEG":0.427,"moe2D_PEOE_VSA_FPNEG":0.09917,"moe2D_PEOE_VSA_FPOL":0.09917,"moe2D_PEOE_VSA_FPOS":0.573,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":123.2,"moe2D_PEOE_VSA_NEG":58.42,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":78.39,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.7877,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7656,"moe2D_Q_VSA_FNEG":0.09917,"moe2D_Q_VSA_FPNEG":0.09917,"moe2D_Q_VSA_FPOL":0.2344,"moe2D_Q_VSA_FPOS":0.9008,"moe2D_Q_VSA_FPPOS":0.1353,"moe2D_Q_VSA_HYD":104.7,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":123.2,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":3.021,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":53.47,"moe2D_SlogP":1.766,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":44.01,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":2.398,"moe2D_VDistMa":5.169,"moe2D_Weight":100.2,"moe2D_a_IC":22.18,"moe2D_a_ICM":1.167,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":19,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":19.36,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.6667,"moe2D_b_ar":0,"moe2D_b_count":18,"moe2D_b_double":1,"moe2D_b_heavy":6,"moe2D_b_rotN":4,"moe2D_b_rotR":0.6667,"moe2D_b_single":17,"moe2D_b_triple":0,"moe2D_balabanJ":2.463,"moe2D_bpol":14.08,"moe2D_chi0":5.536,"moe2D_chi0_C":4.536,"moe2D_chi0v":4.814,"moe2D_chi0v_C":4.406,"moe2D_chi1":3.414,"moe2D_chi1_C":2.707,"moe2D_chi1v":2.851,"moe2D_chi1v_C":2.615,"moeGao_chi2_C":1.561,"moeGao_chi2v_C":1.496,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.207,"moeGao_chi3p_C":0.8536,"moeGao_chi3pv":0.9255,"moeGao_chi3pv_C":0.8077,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6768,"moeGao_chi4ca_C":0.4268,"moeGao_chi4cav":0.4777,"moeGao_chi4cav_C":0.3943,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6196,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.68,"moe2D_kS_dsCH":0.9818,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.13,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":4.209,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.972,"moe2D_logS":-1.378,"moe2D_mr":3.155,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":136.8,"moe2D_vdw_vol":161.6,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":92.64,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":56,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"hexyleneglycol","moeGao_Abra_L":3.878,"moeGao_Abra_R":0.334,"moeGao_Abra_acidity":0.72,"moeGao_Abra_basicity":0.754,"moeGao_Abra_pi":0.653,"moe2D_BCUT_PEOE_0":-2.674,"moe2D_BCUT_PEOE_1":0.02544,"moe2D_BCUT_PEOE_2":0.09462,"moe2D_BCUT_PEOE_3":2.661,"moe2D_BCUT_SLOGP_0":-2.689,"moe2D_BCUT_SLOGP_1":-0.1028,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.667,"moe2D_BCUT_SMR_0":-2.444,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1692,"moe2D_BCUT_SMR_3":2.887,"moe2D_GCUT_PEOE_0":-0.8047,"moe2D_GCUT_PEOE_1":-0.1629,"moe2D_GCUT_PEOE_2":-0.1282,"moe2D_GCUT_PEOE_3":2.301,"moe2D_GCUT_SLOGP_0":-0.8762,"moe2D_GCUT_SLOGP_1":-0.271,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.325,"moe2D_GCUT_SMR_0":-0.5298,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.04776,"moe2D_GCUT_SMR_3":2.501,"moe2D_Kier1":8,"moe2D_Kier2":2.52,"moe2D_Kier3":7.2,"moe2D_KierA1":8,"moe2D_KierA2":2.52,"moe2D_KierA3":7.2,"moe2D_KierFlex":2.52,"moe2D_PEOE_PC.":0.8924,"moe2D_PEOE_PC..1":-0.8924,"moe2D_PEOE_RPC.":0.2355,"moe2D_PEOE_RPC..1":0.4392,"moe2D_PEOE_VSA.0":55.62,"moe2D_PEOE_VSA.1":9.17,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":20.65,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":56.24,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":15.54,"moe2D_PEOE_VSA_FHYD":0.7699,"moe2D_PEOE_VSA_FNEG":0.4566,"moe2D_PEOE_VSA_FPNEG":0.09881,"moe2D_PEOE_VSA_FPOL":0.2301,"moe2D_PEOE_VSA_FPOS":0.5434,"moe2D_PEOE_VSA_FPPOS":0.1313,"moe2D_PEOE_VSA_HYD":121,"moe2D_PEOE_VSA_NEG":71.78,"moe2D_PEOE_VSA_PNEG":15.54,"moe2D_PEOE_VSA_POL":36.18,"moe2D_PEOE_VSA_POS":85.44,"moe2D_PEOE_VSA_PPOS":20.65,"moe2D_Q_PC.":1.36,"moe2D_Q_PC..1":-1.36,"moe2D_Q_RPC.":0.2941,"moe2D_Q_RPC..1":0.5,"moe2D_Q_VSA_FHYD":0.7387,"moe2D_Q_VSA_FNEG":0.09881,"moe2D_Q_VSA_FPNEG":0.09881,"moe2D_Q_VSA_FPOL":0.2613,"moe2D_Q_VSA_FPOS":0.9012,"moe2D_Q_VSA_FPPOS":0.1625,"moe2D_Q_VSA_HYD":116.1,"moe2D_Q_VSA_NEG":15.54,"moe2D_Q_VSA_PNEG":15.54,"moe2D_Q_VSA_POL":41.09,"moe2D_Q_VSA_POS":141.7,"moe2D_Q_VSA_PPOS":25.55,"moe2D_SMR":3.26,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":50.77,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.469,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":0.5282,"moe2D_SlogP_VSA0":50.77,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":6.469,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":40.46,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.951,"moe2D_VDistMa":5.654,"moe2D_Weight":118.2,"moe2D_a_IC":27.29,"moe2D_a_ICM":1.241,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":22,"moe2D_a_don":2,"moe2D_a_heavy":8,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":21.5,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.2857,"moe2D_b_ar":0,"moe2D_b_count":21,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":2,"moe2D_b_rotR":0.2857,"moe2D_b_single":21,"moe2D_b_triple":0,"moe2D_balabanJ":3.389,"moe2D_bpol":15.3,"moe2D_chi0":6.784,"moe2D_chi0_C":4.784,"moe2D_chi0v":5.679,"moe2D_chi0v_C":4.784,"moe2D_chi1":3.417,"moe2D_chi1_C":2.339,"moe2D_chi1v":2.821,"moe2D_chi1v_C":2.339,"moeGao_chi2_C":1.819,"moeGao_chi2v_C":1.819,"moeGao_chi3c":1.969,"moeGao_chi3c_C":0.3536,"moeGao_chi3cv":1.076,"moeGao_chi3cv_C":0.3536,"moeGao_chi3p":1.021,"moeGao_chi3p_C":0.6124,"moeGao_chi3pv":0.7949,"moeGao_chi3pv_C":0.6124,"moeGao_chi4c":0.3536,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.225,"moeGao_chi4ca_C":0.4082,"moeGao_chi4cav":0.7229,"moeGao_chi4cav_C":0.4082,"moeGao_chi4cv":0.1581,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0.2041,"moeGao_chi4pcv":0.478,"moeGao_chi4pcv_C":0.2041,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.6657,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":5.025,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":17.76,"moe2D_kS_ssCH2":0.4375,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-0.4074,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-0.728,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.675,"moe2D_logS":-0.3689,"moe2D_mr":3.23,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":157.2,"moe2D_vdw_vol":177.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":112.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":66,"moe2D_weinerPol":5,"moe2D_zagreb":34}
{"Molecule":"isobutylacrylate","moeGao_Abra_L":3.572,"moeGao_Abra_R":0.418,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.465,"moeGao_Abra_pi":0.559,"moe2D_BCUT_PEOE_0":-2.592,"moe2D_BCUT_PEOE_1":-0.3451,"moe2D_BCUT_PEOE_2":0.2392,"moe2D_BCUT_PEOE_3":2.56,"moe2D_BCUT_SLOGP_0":-2.561,"moe2D_BCUT_SLOGP_1":-0.2361,"moe2D_BCUT_SLOGP_2":0.285,"moe2D_BCUT_SLOGP_3":2.616,"moe2D_BCUT_SMR_0":-2.358,"moe2D_BCUT_SMR_1":-0.1127,"moe2D_BCUT_SMR_2":0.319,"moe2D_BCUT_SMR_3":2.794,"moe2D_GCUT_PEOE_0":-0.7823,"moe2D_GCUT_PEOE_1":-0.3701,"moe2D_GCUT_PEOE_2":-0.04234,"moe2D_GCUT_PEOE_3":2.126,"moe2D_GCUT_SLOGP_0":-0.8482,"moe2D_GCUT_SLOGP_1":-0.2727,"moe2D_GCUT_SLOGP_2":0.00671,"moe2D_GCUT_SLOGP_3":2.172,"moe2D_GCUT_SMR_0":-0.5298,"moe2D_GCUT_SMR_1":-0.1604,"moe2D_GCUT_SMR_2":0.02657,"moe2D_GCUT_SMR_3":2.342,"moe2D_Kier1":9,"moe2D_Kier2":4.84,"moe2D_Kier3":5.878,"moe2D_KierA1":7.3,"moe2D_KierA2":3.809,"moe2D_KierA3":4.493,"moe2D_KierFlex":3.09,"moe2D_PEOE_PC.":0.8083,"moe2D_PEOE_PC..1":-0.8083,"moe2D_PEOE_RPC.":0.3539,"moe2D_PEOE_RPC..1":0.3855,"moe2D_PEOE_VSA.0":42.11,"moe2D_PEOE_VSA.1":36.28,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":59.8,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.8178,"moe2D_PEOE_VSA_FNEG":0.449,"moe2D_PEOE_VSA_FPNEG":0.09511,"moe2D_PEOE_VSA_FPOL":0.1822,"moe2D_PEOE_VSA_FPOS":0.551,"moe2D_PEOE_VSA_FPPOS":0.08705,"moe2D_PEOE_VSA_HYD":138.2,"moe2D_PEOE_VSA_NEG":75.87,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":93.1,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1.436,"moe2D_Q_PC..1":-1.436,"moe2D_Q_RPC.":0.4915,"moe2D_Q_RPC..1":0.397,"moe2D_Q_VSA_FHYD":0.5974,"moe2D_Q_VSA_FNEG":0.2996,"moe2D_Q_VSA_FPNEG":0.2271,"moe2D_Q_VSA_FPOL":0.4026,"moe2D_Q_VSA_FPOS":0.7004,"moe2D_Q_VSA_FPPOS":0.1755,"moe2D_Q_VSA_HYD":100.9,"moe2D_Q_VSA_NEG":50.63,"moe2D_Q_VSA_PNEG":38.37,"moe2D_Q_VSA_POL":68.03,"moe2D_Q_VSA_POS":118.3,"moe2D_Q_VSA_PPOS":29.66,"moe2D_SMR":3.599,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":4.411,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":17.64,"moe2D_SMR_VSA6":28.67,"moe2D_SMR_VSA7":98.75,"moe2D_SlogP":1.372,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":4.411,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":17.64,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":98.75,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.464,"moe2D_VDistMa":5.966,"moe2D_Weight":128.2,"moe2D_a_IC":27.57,"moe2D_a_ICM":1.313,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":21,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":21.93,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.375,"moe2D_b_ar":0,"moe2D_b_count":20,"moe2D_b_double":2,"moe2D_b_heavy":8,"moe2D_b_rotN":4,"moe2D_b_rotR":0.5,"moe2D_b_single":18,"moe2D_b_triple":0,"moe2D_balabanJ":3.092,"moe2D_bpol":15.99,"moe2D_chi0":7.276,"moe2D_chi0_C":5.569,"moe2D_chi0v":5.885,"moe2D_chi0v_C":5.069,"moe2D_chi1":4.164,"moe2D_chi1_C":2.678,"moe2D_chi1v":2.957,"moe2D_chi1v_C":2.26,"moeGao_chi2_C":1.802,"moeGao_chi2v_C":1.598,"moeGao_chi3c":0.6969,"moeGao_chi3c_C":0.4082,"moeGao_chi3cv":0.4564,"moeGao_chi3cv_C":0.4082,"moeGao_chi3p":1.934,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.7256,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.822,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.3077,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.7815,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2347,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6716,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":3.264,"moe2D_kS_dO":10.38,"moe2D_kS_dsCH":1.169,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.3438,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.965,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.477,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.696,"moe2D_kS_sssCH":0.3971,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.034,"moe2D_logS":-1.226,"moe2D_mr":3.694,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":169,"moe2D_vdw_vol":190.8,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":128.3,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":104,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"isoprene","moeGao_Abra_L":2.032,"moeGao_Abra_R":0.302,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.127,"moeGao_Abra_pi":0.183,"moe2D_BCUT_PEOE_0":-2.262,"moe2D_BCUT_PEOE_1":0.01,"moe2D_BCUT_PEOE_2":0.05374,"moe2D_BCUT_PEOE_3":2.193,"moe2D_BCUT_SLOGP_0":-2.083,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.1354,"moe2D_BCUT_SLOGP_3":2.371,"moe2D_BCUT_SMR_0":-1.973,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.2013,"moe2D_BCUT_SMR_3":2.494,"moe2D_GCUT_PEOE_0":-0.7744,"moe2D_GCUT_PEOE_1":-0.213,"moe2D_GCUT_PEOE_2":-0.1063,"moe2D_GCUT_PEOE_3":1.745,"moe2D_GCUT_SLOGP_0":-0.5757,"moe2D_GCUT_SLOGP_1":-0.08364,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.916,"moe2D_GCUT_SMR_0":-0.4759,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.01092,"moe2D_GCUT_SMR_3":2.032,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":3.391,"moe2D_KierA2":1.338,"moe2D_KierA3":1.906,"moe2D_KierFlex":0.9072,"moe2D_PEOE_PC.":0.3591,"moe2D_PEOE_PC..1":-0.3591,"moe2D_PEOE_RPC.":0.1711,"moe2D_PEOE_RPC..1":0.2742,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":59.07,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6952,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3048,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":111.9,"moe2D_PEOE_VSA_NEG":77.81,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":34.12,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.8882,"moe2D_Q_PC..1":-0.8882,"moe2D_Q_RPC.":0.1689,"moe2D_Q_RPC..1":0.3378,"moe2D_Q_VSA_FHYD":0.6015,"moe2D_Q_VSA_FNEG":0.5277,"moe2D_Q_VSA_FPNEG":0.3985,"moe2D_Q_VSA_FPOL":0.3985,"moe2D_Q_VSA_FPOS":0.4723,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":67.33,"moe2D_Q_VSA_NEG":59.07,"moe2D_Q_VSA_PNEG":44.6,"moe2D_Q_VSA_POL":44.6,"moe2D_Q_VSA_POS":52.87,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":2.501,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":17.64,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":97.53,"moe2D_SlogP":1.749,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":3.186,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":17.64,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":97.53,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":68.12,"moe2D_a_IC":12.5,"moe2D_a_ICM":0.9612,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":13,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":14.13,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":12,"moe2D_b_double":2,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.744,"moe2D_bpol":8.746,"moe2D_chi0":4.284,"moe2D_chi0_C":4.284,"moe2D_chi0v":3.492,"moe2D_chi0v_C":3.492,"moe2D_chi1":2.27,"moe2D_chi1_C":2.27,"moe2D_chi1v":1.55,"moe2D_chi1v_C":1.55,"moeGao_chi2_C":1.802,"moeGao_chi2v_C":1.05,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0.4082,"moeGao_chi3cv":0.2041,"moeGao_chi3cv_C":0.2041,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0.8165,"moeGao_chi3pv":0.3485,"moeGao_chi3pv_C":0.3485,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0.4082,"moeGao_chi4pcv":0.1443,"moeGao_chi4pcv_C":0.1443,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5483,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":7.016,"moe2D_kS_dO":0,"moe2D_kS_dsCH":1.722,"moe2D_kS_dsN":0,"moe2D_kS_dssC":1.019,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.91,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.513,"moe2D_logS":-2.167,"moe2D_mr":2.421,"moe2D_opr_brigid":2,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":111.9,"moe2D_vdw_vol":124.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":106.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"isopropanolol-(isopropyl","moeGao_Abra_L":1.943,"moeGao_Abra_R":0.19,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.403,"moeGao_Abra_pi":0.41,"moe2D_BCUT_PEOE_0":-2.496,"moe2D_BCUT_PEOE_1":-0.1542,"moe2D_BCUT_PEOE_2":0.2257,"moe2D_BCUT_PEOE_3":2.46,"moe2D_BCUT_SLOGP_0":-2.495,"moe2D_BCUT_SLOGP_1":-0.1199,"moe2D_BCUT_SLOGP_2":0.244,"moe2D_BCUT_SLOGP_3":2.489,"moe2D_BCUT_SMR_0":-2.265,"moe2D_BCUT_SMR_1":-0.07092,"moe2D_BCUT_SMR_2":0.3022,"moe2D_BCUT_SMR_3":2.685,"moe2D_GCUT_PEOE_0":-0.8053,"moe2D_GCUT_PEOE_1":-0.2068,"moe2D_GCUT_PEOE_2":-0.05006,"moe2D_GCUT_PEOE_3":1.821,"moe2D_GCUT_SLOGP_0":-0.8744,"moe2D_GCUT_SLOGP_1":-0.1551,"moe2D_GCUT_SLOGP_2":-0.02741,"moe2D_GCUT_SLOGP_3":1.861,"moe2D_GCUT_SMR_0":-0.5267,"moe2D_GCUT_SMR_1":-0.1112,"moe2D_GCUT_SMR_2":0.02048,"moe2D_GCUT_SMR_3":2.017,"moe2D_Kier1":4,"moe2D_Kier2":1.333,"moe2D_Kier3":0,"moe2D_KierA1":4,"moe2D_KierA2":1.333,"moe2D_KierA3":0,"moe2D_KierFlex":1.333,"moe2D_PEOE_PC.":0.4707,"moe2D_PEOE_PC..1":-0.4707,"moe2D_PEOE_RPC.":0.4456,"moe2D_PEOE_RPC..1":0.8334,"moe2D_PEOE_VSA.0":30.5,"moe2D_PEOE_VSA.1":4.265,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.7998,"moe2D_PEOE_VSA_FNEG":0.501,"moe2D_PEOE_VSA_FPNEG":0.08597,"moe2D_PEOE_VSA_FPOL":0.2002,"moe2D_PEOE_VSA_FPOS":0.499,"moe2D_PEOE_VSA_FPPOS":0.1143,"moe2D_PEOE_VSA_HYD":72.26,"moe2D_PEOE_VSA_NEG":45.26,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":45.09,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7455,"moe2D_Q_VSA_FNEG":0.08597,"moe2D_Q_VSA_FPNEG":0.08597,"moe2D_Q_VSA_FPOL":0.2545,"moe2D_Q_VSA_FPOS":0.914,"moe2D_Q_VSA_FPPOS":0.1686,"moe2D_Q_VSA_HYD":67.35,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":23,"moe2D_Q_VSA_POS":82.58,"moe2D_Q_VSA_PPOS":15.23,"moe2D_SMR":1.735,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.469,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.3871,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":6.469,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1,"moe2D_VDistMa":3.503,"moe2D_Weight":60.1,"moe2D_a_IC":14.26,"moe2D_a_ICM":1.189,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":12,"moe2D_a_don":1,"moe2D_a_heavy":4,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":11.42,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":11,"moe2D_b_double":0,"moe2D_b_heavy":3,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.324,"moe2D_bpol":8.746,"moe2D_chi0":3.577,"moe2D_chi0_C":2.577,"moe2D_chi0v":3.025,"moe2D_chi0v_C":2.577,"moe2D_chi1":1.732,"moe2D_chi1_C":1.155,"moe2D_chi1v":1.413,"moe2D_chi1v_C":1.155,"moeGao_chi2_C":0.5774,"moeGao_chi2v_C":0.5774,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2582,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6279,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.444,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.056,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-0.1667,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.399,"moe2D_logS":-0.04242,"moe2D_mr":1.753,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":1,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":90.35,"moe2D_vdw_vol":95.71,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":67.28,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":9,"moe2D_weinerPol":0,"moe2D_zagreb":12}
{"Molecule":"l-menthol-(levomenthol)","moeGao_Abra_L":5.258,"moeGao_Abra_R":0.353,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.443,"moeGao_Abra_pi":0.443,"moe2D_BCUT_PEOE_0":-2.85,"moe2D_BCUT_PEOE_1":-0.393,"moe2D_BCUT_PEOE_2":0.4757,"moe2D_BCUT_PEOE_3":2.806,"moe2D_BCUT_SLOGP_0":-2.794,"moe2D_BCUT_SLOGP_1":-0.357,"moe2D_BCUT_SLOGP_2":0.4588,"moe2D_BCUT_SLOGP_3":2.882,"moe2D_BCUT_SMR_0":-2.604,"moe2D_BCUT_SMR_1":-0.3066,"moe2D_BCUT_SMR_2":0.5627,"moe2D_BCUT_SMR_3":3.052,"moe2D_GCUT_PEOE_0":-0.8004,"moe2D_GCUT_PEOE_1":-0.2915,"moe2D_GCUT_PEOE_2":0.0239,"moe2D_GCUT_PEOE_3":2.698,"moe2D_GCUT_SLOGP_0":-0.8822,"moe2D_GCUT_SLOGP_1":-0.24,"moe2D_GCUT_SLOGP_2":-0.00836,"moe2D_GCUT_SLOGP_3":2.778,"moe2D_GCUT_SMR_0":-0.5377,"moe2D_GCUT_SMR_1":-0.1739,"moe2D_GCUT_SMR_2":0.1087,"moe2D_GCUT_SMR_3":2.911,"moe2D_Kier1":9.091,"moe2D_Kier2":3.6,"moe2D_Kier3":2.215,"moe2D_KierA1":9.091,"moe2D_KierA2":3.6,"moe2D_KierA3":2.215,"moe2D_KierFlex":2.975,"moe2D_PEOE_PC.":0.7956,"moe2D_PEOE_PC..1":-0.7956,"moe2D_PEOE_RPC.":0.2637,"moe2D_PEOE_RPC..1":0.4921,"moe2D_PEOE_VSA.0":76.78,"moe2D_PEOE_VSA.1":9.17,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":64.94,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9029,"moe2D_PEOE_VSA_FNEG":0.4835,"moe2D_PEOE_VSA_FPNEG":0.04167,"moe2D_PEOE_VSA_FPOL":0.09707,"moe2D_PEOE_VSA_FPOS":0.5165,"moe2D_PEOE_VSA_FPPOS":0.05539,"moe2D_PEOE_VSA_HYD":168.3,"moe2D_PEOE_VSA_NEG":90.11,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":96.27,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8766,"moe2D_Q_VSA_FNEG":0.04167,"moe2D_Q_VSA_FPNEG":0.04167,"moe2D_Q_VSA_FPOL":0.1234,"moe2D_Q_VSA_FPOS":0.9583,"moe2D_Q_VSA_FPPOS":0.08171,"moe2D_Q_VSA_HYD":163.4,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":23,"moe2D_Q_VSA_POS":178.6,"moe2D_Q_VSA_PPOS":15.23,"moe2D_SMR":4.735,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":13.23,"moe2D_SMR_VSA3":6.469,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":56.61,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":2.44,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":6.469,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":13.23,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":56.61,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.328,"moe2D_VDistMa":6.613,"moe2D_Weight":156.3,"moe2D_a_IC":33.92,"moe2D_a_ICM":1.094,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":31,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":20,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":31.74,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.09091,"moe2D_b_ar":0,"moe2D_b_count":31,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":1,"moe2D_b_rotR":0.09091,"moe2D_b_single":31,"moe2D_b_triple":0,"moe2D_balabanJ":2.437,"moe2D_bpol":21.86,"moe2D_chi0":8.431,"moe2D_chi0_C":7.431,"moe2D_chi0v":7.878,"moe2D_chi0v_C":7.431,"moe2D_chi1":5.109,"moe2D_chi1_C":4.532,"moe2D_chi1v":4.79,"moe2D_chi1v_C":4.532,"moeGao_chi2_C":4.062,"moeGao_chi2v_C":4.062,"moeGao_chi3c":0.9938,"moeGao_chi3c_C":0.7581,"moeGao_chi3cv":0.8635,"moeGao_chi3cv_C":0.7581,"moeGao_chi3p":3.354,"moeGao_chi3p_C":2.69,"moeGao_chi3pv":2.987,"moeGao_chi3pv_C":2.69,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.679,"moeGao_chi4ca_C":1.725,"moeGao_chi4cav":2.152,"moeGao_chi4cav_C":1.725,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.838,"moeGao_chi4pc_C":1.264,"moeGao_chi4pcv":1.521,"moeGao_chi4pcv_C":1.264,"moe2D_chiral":3,"moe2D_chiral_u":3,"moe2D_density":0.6181,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.66,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.71,"moe2D_kS_ssCH2":3.544,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":1.919,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.091,"moe2D_logS":-2.607,"moe2D_mr":4.745,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":186.4,"moe2D_vdw_vol":252.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":150.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":150,"moe2D_weinerPol":14,"moe2D_zagreb":52}
{"Molecule":"m-cresol","moeGao_Abra_L":4.247,"moeGao_Abra_R":0.837,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.429,"moeGao_Abra_pi":0.851,"moe2D_BCUT_PEOE_0":-2.278,"moe2D_BCUT_PEOE_1":-0.5809,"moe2D_BCUT_PEOE_2":0.6441,"moe2D_BCUT_PEOE_3":2.227,"moe2D_BCUT_SLOGP_0":-2.114,"moe2D_BCUT_SLOGP_1":-0.48,"moe2D_BCUT_SLOGP_2":0.7324,"moe2D_BCUT_SLOGP_3":2.409,"moe2D_BCUT_SMR_0":-1.988,"moe2D_BCUT_SMR_1":-0.4458,"moe2D_BCUT_SMR_2":0.7855,"moe2D_BCUT_SMR_3":2.529,"moe2D_GCUT_PEOE_0":-0.7652,"moe2D_GCUT_PEOE_1":-0.3602,"moe2D_GCUT_PEOE_2":0.07126,"moe2D_GCUT_PEOE_3":1.99,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.2435,"moe2D_GCUT_SLOGP_2":0.1468,"moe2D_GCUT_SLOGP_3":2.174,"moe2D_GCUT_SMR_0":-0.4791,"moe2D_GCUT_SMR_1":-0.1991,"moe2D_GCUT_SMR_2":0.1765,"moe2D_GCUT_SMR_3":2.282,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":4.365,"moe2D_KierA2":1.695,"moe2D_KierA3":1.15,"moe2D_KierFlex":0.9247,"moe2D_PEOE_PC.":0.6262,"moe2D_PEOE_PC..1":-0.6262,"moe2D_PEOE_RPC.":0.347,"moe2D_PEOE_RPC..1":0.5746,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":25.52,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":45.47,"moe2D_PEOE_VSA.1.1":24.51,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8569,"moe2D_PEOE_VSA_FNEG":0.6151,"moe2D_PEOE_VSA_FPNEG":0.06146,"moe2D_PEOE_VSA_FPOL":0.1431,"moe2D_PEOE_VSA_FPOS":0.3849,"moe2D_PEOE_VSA_FPPOS":0.08169,"moe2D_PEOE_VSA_HYD":108.3,"moe2D_PEOE_VSA_NEG":77.74,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":48.64,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.276,"moe2D_Q_PC..1":-1.276,"moe2D_Q_RPC.":0.3527,"moe2D_Q_RPC..1":0.4173,"moe2D_Q_VSA_FHYD":0.8569,"moe2D_Q_VSA_FNEG":0.4668,"moe2D_Q_VSA_FPNEG":0.06146,"moe2D_Q_VSA_FPOL":0.1431,"moe2D_Q_VSA_FPOS":0.5332,"moe2D_Q_VSA_FPPOS":0.08169,"moe2D_Q_VSA_HYD":108.3,"moe2D_Q_VSA_NEG":59,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":67.39,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.284,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":8.429,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.701,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":38.57,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.892,"moe2D_VDistMa":5.664,"moe2D_Weight":108.1,"moe2D_a_IC":20.35,"moe2D_a_ICM":1.272,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":16,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":18.46,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":16,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.305,"moe2D_bpol":8.746,"moe2D_chi0":5.983,"moe2D_chi0_C":4.983,"moe2D_chi0v":4.757,"moe2D_chi0v_C":4.309,"moe2D_chi1":3.788,"moe2D_chi1_C":3.21,"moe2D_chi1v":2.545,"moe2D_chi1v_C":2.321,"moeGao_chi2_C":2.56,"moeGao_chi2v_C":1.581,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0.2887,"moeGao_chi3cv":0.2412,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":2.199,"moeGao_chi3p_C":1.674,"moeGao_chi3pv":1.002,"moeGao_chi3pv_C":0.8626,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":1.131,"moeGao_chi4cav":0.628,"moeGao_chi4cav_C":0.4831,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.7416,"moeGao_chi4pc_C":0.3708,"moeGao_chi4pcv":0.2599,"moeGao_chi4pcv_C":0.1796,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6683,"moe2D_diameter":4,"moe2D_kS_aaCH":7.15,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.426,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.944,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.813,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.933,"moe2D_logS":-1.497,"moe2D_mr":3.348,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":126.4,"moe2D_vdw_vol":161.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":103.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":61,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"m-dichlorobenzene(13-dichlorobenzene)","moeGao_Abra_L":4.566,"moeGao_Abra_R":0.926,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.08,"moeGao_Abra_pi":0.805,"moe2D_BCUT_PEOE_0":-2.118,"moe2D_BCUT_PEOE_1":-0.6657,"moe2D_BCUT_PEOE_2":0.676,"moe2D_BCUT_PEOE_3":2.099,"moe2D_BCUT_SLOGP_0":-1.907,"moe2D_BCUT_SLOGP_1":-0.3917,"moe2D_BCUT_SLOGP_2":0.9725,"moe2D_BCUT_SLOGP_3":2.332,"moe2D_BCUT_SMR_0":-1.786,"moe2D_BCUT_SMR_1":-0.3764,"moe2D_BCUT_SMR_2":0.9793,"moe2D_BCUT_SMR_3":2.442,"moe2D_GCUT_PEOE_0":-0.7286,"moe2D_GCUT_PEOE_1":-0.4026,"moe2D_GCUT_PEOE_2":0.04814,"moe2D_GCUT_PEOE_3":1.82,"moe2D_GCUT_SLOGP_0":-0.5334,"moe2D_GCUT_SLOGP_1":-0.1618,"moe2D_GCUT_SLOGP_2":0.4184,"moe2D_GCUT_SLOGP_3":2.061,"moe2D_GCUT_SMR_0":-0.3943,"moe2D_GCUT_SMR_1":-0.1239,"moe2D_GCUT_SMR_2":0.4113,"moe2D_GCUT_SMR_3":2.156,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":6.462,"moe2D_KierA2":2.681,"moe2D_KierA3":1.929,"moe2D_KierFlex":2.166,"moe2D_PEOE_PC.":0.3376,"moe2D_PEOE_PC..1":-0.3376,"moe2D_PEOE_RPC.":0.1915,"moe2D_PEOE_RPC..1":0.2473,"moe2D_PEOE_VSA.0":9.039,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":36.76,"moe2D_PEOE_VSA.1.1":71.42,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8056,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1944,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":134.3,"moe2D_PEOE_VSA_NEG":108.2,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":26.1,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.954,"moe2D_Q_PC..1":-0.954,"moe2D_Q_RPC.":0.1855,"moe2D_Q_RPC..1":0.1855,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.8056,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.1944,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":134.3,"moe2D_Q_VSA_NEG":108.2,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":26.1,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.646,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":7.001,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":2.993,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":7.001,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":78.3,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.892,"moe2D_VDistMa":5.664,"moe2D_Weight":147,"moe2D_a_IC":17.51,"moe2D_a_ICM":1.459,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":17.59,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.305,"moe2D_bpol":5.213,"moe2D_chi0":5.983,"moe2D_chi0_C":3.983,"moe2D_chi0v":5.577,"moe2D_chi0v_C":3.309,"moe2D_chi1":3.788,"moe2D_chi1_C":2.633,"moe2D_chi1v":2.955,"moe2D_chi1v_C":1.821,"moeGao_chi2_C":1.744,"moeGao_chi2v_C":1.003,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.378,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.199,"moeGao_chi3p_C":1.15,"moeGao_chi3pv":1.257,"moeGao_chi3pv_C":0.5516,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.8963,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.7416,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.4072,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9143,"moe2D_diameter":4,"moe2D_kS_aaCH":7.078,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.356,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":11.12,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.127,"moe2D_logS":-2.853,"moe2D_mr":3.666,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":134.3,"moe2D_vdw_vol":160.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":131.4,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":61,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"m-diethylbenzene(13-diethylbenzene)","moeGao_Abra_L":4.894,"moeGao_Abra_R":0.672,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.129,"moeGao_Abra_pi":0.529,"moe2D_BCUT_PEOE_0":-2.464,"moe2D_BCUT_PEOE_1":-0.1925,"moe2D_BCUT_PEOE_2":0.2345,"moe2D_BCUT_PEOE_3":2.404,"moe2D_BCUT_SLOGP_0":-2.352,"moe2D_BCUT_SLOGP_1":-0.07812,"moe2D_BCUT_SLOGP_2":0.3342,"moe2D_BCUT_SLOGP_3":2.522,"moe2D_BCUT_SMR_0":-2.192,"moe2D_BCUT_SMR_1":-0.07853,"moe2D_BCUT_SMR_2":0.4087,"moe2D_BCUT_SMR_3":2.687,"moe2D_GCUT_PEOE_0":-0.7763,"moe2D_GCUT_PEOE_1":-0.2772,"moe2D_GCUT_PEOE_2":-0.06287,"moe2D_GCUT_PEOE_3":2.258,"moe2D_GCUT_SLOGP_0":-0.6967,"moe2D_GCUT_SLOGP_1":-0.1568,"moe2D_GCUT_SLOGP_2":0.02589,"moe2D_GCUT_SLOGP_3":2.394,"moe2D_GCUT_SMR_0":-0.5164,"moe2D_GCUT_SMR_1":-0.1028,"moe2D_GCUT_SMR_2":0.04893,"moe2D_GCUT_SMR_3":2.537,"moe2D_Kier1":8.1,"moe2D_Kier2":4,"moe2D_Kier3":2.286,"moe2D_KierA1":6.23,"moe2D_KierA2":2.976,"moe2D_KierA3":1.654,"moe2D_KierFlex":1.854,"moe2D_PEOE_PC.":0.5121,"moe2D_PEOE_PC..1":-0.5121,"moe2D_PEOE_RPC.":0.1217,"moe2D_PEOE_RPC..1":0.1196,"moe2D_PEOE_VSA.0":42.65,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.82,"moe2D_PEOE_VSA.1.1":86.51,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6447,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3553,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":168.1,"moe2D_PEOE_VSA_NEG":108.3,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":59.72,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.887,"moe2D_Q_PC..1":-0.887,"moe2D_Q_RPC.":0.1691,"moe2D_Q_RPC..1":0.1691,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.318,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.682,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":168.1,"moe2D_Q_VSA_NEG":53.44,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":114.6,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.52,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":108.3,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.811,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":37.74,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.338,"moe2D_VDistMa":6.313,"moe2D_Weight":134.2,"moe2D_a_IC":23.52,"moe2D_a_ICM":0.9799,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":24,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":26.94,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.2,"moe2D_b_ar":6,"moe2D_b_count":24,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":2,"moe2D_b_rotR":0.2,"moe2D_b_single":18,"moe2D_b_triple":0,"moe2D_balabanJ":2.288,"moe2D_bpol":15.3,"moe2D_chi0":7.397,"moe2D_chi0_C":7.397,"moe2D_chi0v":6.724,"moe2D_chi0v_C":6.724,"moe2D_chi1":4.864,"moe2D_chi1_C":4.864,"moe2D_chi1v":3.943,"moe2D_chi1v_C":3.943,"moeGao_chi2_C":3.715,"moeGao_chi2v_C":2.527,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0.4082,"moeGao_chi3cv":0.2357,"moeGao_chi3cv_C":0.2357,"moeGao_chi3p":3.046,"moeGao_chi3p_C":3.046,"moeGao_chi3pv":1.808,"moeGao_chi3pv_C":1.808,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.144,"moeGao_chi4ca_C":2.144,"moeGao_chi4cav":1.069,"moeGao_chi4cav_C":1.069,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.9326,"moeGao_chi4pc_C":0.9326,"moeGao_chi4pcv":0.4896,"moeGao_chi4pcv_C":0.4896,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5924,"moe2D_diameter":6,"moe2D_kS_aaCH":8.774,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.888,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.379,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":2.293,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.173,"moe2D_logS":-3.363,"moe2D_mr":4.558,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":168.1,"moe2D_vdw_vol":226.6,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":158.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":121,"moe2D_weinerPol":11,"moe2D_zagreb":44}
{"Molecule":"m-xylene","moeGao_Abra_L":3.896,"moeGao_Abra_R":0.672,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.129,"moeGao_Abra_pi":0.529,"moe2D_BCUT_PEOE_0":-2.333,"moe2D_BCUT_PEOE_1":-0.1963,"moe2D_BCUT_PEOE_2":0.233,"moe2D_BCUT_PEOE_3":2.268,"moe2D_BCUT_SLOGP_0":-2.174,"moe2D_BCUT_SLOGP_1":-0.07883,"moe2D_BCUT_SLOGP_2":0.3355,"moe2D_BCUT_SLOGP_3":2.427,"moe2D_BCUT_SMR_0":-2.036,"moe2D_BCUT_SMR_1":-0.07911,"moe2D_BCUT_SMR_2":0.4163,"moe2D_BCUT_SMR_3":2.576,"moe2D_GCUT_PEOE_0":-0.7665,"moe2D_GCUT_PEOE_1":-0.2833,"moe2D_GCUT_PEOE_2":-0.06501,"moe2D_GCUT_PEOE_3":2.074,"moe2D_GCUT_SLOGP_0":-0.6065,"moe2D_GCUT_SLOGP_1":-0.1594,"moe2D_GCUT_SLOGP_2":0.02598,"moe2D_GCUT_SLOGP_3":2.232,"moe2D_GCUT_SMR_0":-0.4847,"moe2D_GCUT_SMR_1":-0.1029,"moe2D_GCUT_SMR_2":0.05033,"moe2D_GCUT_SMR_3":2.367,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":4.365,"moe2D_KierA2":1.695,"moe2D_KierA3":1.15,"moe2D_KierFlex":0.9247,"moe2D_PEOE_PC.":0.4146,"moe2D_PEOE_PC..1":-0.4146,"moe2D_PEOE_RPC.":0.1502,"moe2D_PEOE_RPC..1":0.1478,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":53.44,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6807,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3193,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":133.6,"moe2D_PEOE_VSA_NEG":90.93,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":42.65,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.887,"moe2D_Q_PC..1":-0.887,"moe2D_Q_RPC.":0.1691,"moe2D_Q_RPC..1":0.1691,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.4,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.6,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":133.6,"moe2D_Q_VSA_NEG":53.44,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":80.15,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.592,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.303,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.892,"moe2D_VDistMa":5.664,"moe2D_Weight":106.2,"moe2D_a_IC":17.84,"moe2D_a_ICM":0.9911,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":18,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":20.75,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":18,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2.305,"moe2D_bpol":10.93,"moe2D_chi0":5.983,"moe2D_chi0_C":5.983,"moe2D_chi0v":5.309,"moe2D_chi0v_C":5.309,"moe2D_chi1":3.788,"moe2D_chi1_C":3.788,"moe2D_chi1v":2.821,"moe2D_chi1v_C":2.821,"moeGao_chi2_C":3.377,"moeGao_chi2v_C":2.158,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0.5774,"moeGao_chi3cv":0.3333,"moeGao_chi3cv_C":0.3333,"moeGao_chi3p":2.199,"moeGao_chi3p_C":2.199,"moeGao_chi3pv":1.174,"moeGao_chi3pv_C":1.174,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":1.737,"moeGao_chi4cav":0.807,"moeGao_chi4cav_C":0.807,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.7416,"moeGao_chi4pc_C":0.7416,"moeGao_chi4pcv":0.3591,"moeGao_chi4pcv_C":0.3591,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5974,"moe2D_diameter":4,"moe2D_kS_aaCH":8.449,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.676,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.208,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.881,"moe2D_logS":-2.333,"moe2D_mr":3.626,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":133.6,"moe2D_vdw_vol":177.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":126.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":61,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"methanol(methyl-alchohol)","moeGao_Abra_L":1.123,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.385,"moeGao_Abra_pi":0.449,"moe2D_BCUT_PEOE_0":-2.121,"moe2D_BCUT_PEOE_1":-0.259,"moe2D_BCUT_PEOE_2":0.3158,"moe2D_BCUT_PEOE_3":2.054,"moe2D_BCUT_SLOGP_0":-2.206,"moe2D_BCUT_SLOGP_1":-0.262,"moe2D_BCUT_SLOGP_2":0.2917,"moe2D_BCUT_SLOGP_3":1.971,"moe2D_BCUT_SMR_0":-1.896,"moe2D_BCUT_SMR_1":-0.1676,"moe2D_BCUT_SMR_2":0.3891,"moe2D_BCUT_SMR_3":2.257,"moe2D_GCUT_PEOE_0":-0.7995,"moe2D_GCUT_PEOE_1":-0.2422,"moe2D_GCUT_PEOE_2":0.01849,"moe2D_GCUT_PEOE_3":1.255,"moe2D_GCUT_SLOGP_0":-0.8732,"moe2D_GCUT_SLOGP_1":-0.2385,"moe2D_GCUT_SLOGP_2":-0.02356,"moe2D_GCUT_SLOGP_3":1.194,"moe2D_GCUT_SMR_0":-0.4995,"moe2D_GCUT_SMR_1":-0.1424,"moe2D_GCUT_SMR_2":0.06795,"moe2D_GCUT_SMR_3":1.429,"moe2D_Kier1":2,"moe2D_Kier2":0,"moe2D_Kier3":0,"moe2D_KierA1":2,"moe2D_KierA2":0,"moe2D_KierA3":0,"moe2D_KierFlex":0,"moe2D_PEOE_PC.":0.3982,"moe2D_PEOE_PC..1":-0.3982,"moe2D_PEOE_RPC.":0.5249,"moe2D_PEOE_RPC..1":1,"moe2D_PEOE_VSA.0":25,"moe2D_PEOE_VSA.1":12.8,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.6763,"moe2D_PEOE_VSA_FNEG":0.139,"moe2D_PEOE_VSA_FPNEG":0.139,"moe2D_PEOE_VSA_FPOL":0.3237,"moe2D_PEOE_VSA_FPOS":0.861,"moe2D_PEOE_VSA_FPPOS":0.1847,"moe2D_PEOE_VSA_HYD":37.79,"moe2D_PEOE_VSA_NEG":7.768,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":48.12,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.229,"moe2D_Q_VSA_FNEG":0.139,"moe2D_Q_VSA_FPNEG":0.139,"moe2D_Q_VSA_FPOL":0.771,"moe2D_Q_VSA_FPOS":0.861,"moe2D_Q_VSA_FPPOS":0.632,"moe2D_Q_VSA_HYD":12.8,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":43.09,"moe2D_Q_VSA_POS":48.12,"moe2D_Q_VSA_PPOS":35.32,"moe2D_SMR":0.8143,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":35.38,"moe2D_SlogP":-0.3915,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":35.38,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":20.23,"moe2D_VAdjEq":1,"moe2D_VAdjMa":1,"moe2D_VDistEq":0,"moe2D_VDistMa":1,"moe2D_Weight":32.04,"moe2D_a_IC":7.51,"moe2D_a_ICM":1.252,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":6,"moe2D_a_don":1,"moe2D_a_heavy":2,"moe2D_a_hyd":1,"moe2D_a_nBr":0,"moe2D_a_nC":1,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":5.229,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":5,"moe2D_b_double":0,"moe2D_b_heavy":1,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":5,"moe2D_b_triple":0,"moe2D_balabanJ":1,"moe2D_bpol":4.373,"moe2D_chi0":2,"moe2D_chi0_C":1,"moe2D_chi0v":1.447,"moe2D_chi0v_C":1,"moe2D_chi1":1,"moe2D_chi1_C":0,"moe2D_chi1v":0.4472,"moe2D_chi1v_C":0,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0,"moeGao_chi3p_C":0,"moeGao_chi3pv":0,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.684,"moe2D_diameter":1,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":7,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.404,"moe2D_logS":0.612,"moe2D_mr":0.8855,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0,"moe2D_petitjeanSC":0,"moe2D_radius":1,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":55.89,"moe2D_vdw_vol":46.85,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":35.66,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":1,"moe2D_weinerPol":0,"moe2D_zagreb":2}
{"Molecule":"methyl","moeGao_Abra_L":5.728,"moeGao_Abra_R":1.082,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.592,"moeGao_Abra_pi":1.459,"moe2D_BCUT_PEOE_0":-2.209,"moe2D_BCUT_PEOE_1":-0.644,"moe2D_BCUT_PEOE_2":0.7021,"moe2D_BCUT_PEOE_3":2.23,"moe2D_BCUT_SLOGP_0":-2.254,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.7638,"moe2D_BCUT_SLOGP_3":2.276,"moe2D_BCUT_SMR_0":-1.949,"moe2D_BCUT_SMR_1":-0.4628,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.513,"moe2D_GCUT_PEOE_0":-0.7463,"moe2D_GCUT_PEOE_1":-0.4184,"moe2D_GCUT_PEOE_2":0.08192,"moe2D_GCUT_PEOE_3":2.047,"moe2D_GCUT_SLOGP_0":-0.8311,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.122,"moe2D_GCUT_SMR_0":-0.4825,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.33,"moe2D_Kier1":10.08,"moe2D_Kier2":4.889,"moe2D_Kier3":2.778,"moe2D_KierA1":6.461,"moe2D_KierA2":2.989,"moe2D_KierA3":1.636,"moe2D_KierFlex":1.609,"moe2D_PEOE_PC.":0.9474,"moe2D_PEOE_PC..1":-0.9474,"moe2D_PEOE_RPC.":0.3099,"moe2D_PEOE_RPC..1":0.3322,"moe2D_PEOE_VSA.0":27.21,"moe2D_PEOE_VSA.1":52.37,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":17.74,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.8262,"moe2D_PEOE_VSA_FNEG":0.4677,"moe2D_PEOE_VSA_FPNEG":0.09074,"moe2D_PEOE_VSA_FPOL":0.1738,"moe2D_PEOE_VSA_FPOS":0.5323,"moe2D_PEOE_VSA_FPPOS":0.08305,"moe2D_PEOE_VSA_HYD":146.3,"moe2D_PEOE_VSA_NEG":82.83,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":94.28,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":2.157,"moe2D_Q_PC..1":-2.157,"moe2D_Q_RPC.":0.2938,"moe2D_Q_RPC..1":0.2642,"moe2D_Q_VSA_FHYD":0.4703,"moe2D_Q_VSA_FNEG":0.4677,"moe2D_Q_VSA_FPNEG":0.1909,"moe2D_Q_VSA_FPOL":0.5297,"moe2D_Q_VSA_FPOS":0.5323,"moe2D_Q_VSA_FPPOS":0.3388,"moe2D_Q_VSA_HYD":83.29,"moe2D_Q_VSA_NEG":82.83,"moe2D_Q_VSA_PNEG":33.81,"moe2D_Q_VSA_POL":93.82,"moe2D_Q_VSA_POS":94.28,"moe2D_Q_VSA_PPOS":60.01,"moe2D_SMR":4.25,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":31.06,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":22.97,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":7.745,"moe2D_SMR_VSA7":35.38,"moe2D_SlogP":1.345,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":47.66,"moe2D_SlogP_VSA4":30.23,"moe2D_SlogP_VSA5":35.38,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":50.09,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.685,"moe2D_VDistMa":6.829,"moe2D_Weight":161.2,"moe2D_a_IC":30.53,"moe2D_a_ICM":1.607,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":19,"moe2D_a_don":0,"moe2D_a_heavy":12,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":1,"moe2D_a_nO":2,"moe2D_apol":23.21,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.08333,"moe2D_b_ar":6,"moe2D_b_count":19,"moe2D_b_double":1,"moe2D_b_heavy":12,"moe2D_b_rotN":3,"moe2D_b_rotR":0.25,"moe2D_b_single":11,"moe2D_b_triple":1,"moe2D_balabanJ":2.289,"moe2D_bpol":11.19,"moe2D_chi0":8.975,"moe2D_chi0_C":6.268,"moe2D_chi0v":6.573,"moe2D_chi0v_C":5.309,"moe2D_chi1":5.774,"moe2D_chi1_C":3.375,"moe2D_chi1v":3.361,"moe2D_chi1v_C":2.321,"moeGao_chi2_C":2.781,"moeGao_chi2v_C":1.577,"moeGao_chi3c":0.6065,"moeGao_chi3c_C":0.3708,"moeGao_chi3cv":0.2083,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":3.917,"moeGao_chi3p_C":1.891,"moeGao_chi3pv":1.435,"moeGao_chi3pv_C":0.8849,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.499,"moeGao_chi4ca_C":1.188,"moeGao_chi4cav":0.7987,"moeGao_chi4cav_C":0.4702,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.582,"moeGao_chi4pc_C":0.5244,"moeGao_chi4pcv":0.3875,"moeGao_chi4pcv_C":0.1925,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7496,"moe2D_diameter":8,"moe2D_kS_aaCH":6.271,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.9853,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.91,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.3894,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.32,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.488,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":8.458,"moe2D_kS_tsC":1.959,"moe2D_lip_acc":3,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.507,"moe2D_logS":-2.118,"moe2D_mr":4.578,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":177.1,"moe2D_vdw_vol":215,"moe2D_vsa_acc":31.31,"moe2D_vsa_don":0,"moe2D_vsa_hyd":103.3,"moe2D_vsa_other":37.51,"moe2D_vsa_pol":31.31,"moe2D_weinerPath":210,"moe2D_weinerPol":15,"moe2D_zagreb":54}
{"Molecule":"methyl4-chlorobenzoate(benzoic","moeGao_Abra_L":5.333,"moeGao_Abra_R":1.065,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.461,"moeGao_Abra_pi":1.117,"moe2D_BCUT_PEOE_0":-2.21,"moe2D_BCUT_PEOE_1":-0.5817,"moe2D_BCUT_PEOE_2":0.5974,"moe2D_BCUT_PEOE_3":2.226,"moe2D_BCUT_SLOGP_0":-2.252,"moe2D_BCUT_SLOGP_1":-0.3377,"moe2D_BCUT_SLOGP_2":0.8126,"moe2D_BCUT_SLOGP_3":2.312,"moe2D_BCUT_SMR_0":-1.948,"moe2D_BCUT_SMR_1":-0.3257,"moe2D_BCUT_SMR_2":0.8564,"moe2D_BCUT_SMR_3":2.515,"moe2D_GCUT_PEOE_0":-0.7464,"moe2D_GCUT_PEOE_1":-0.3946,"moe2D_GCUT_PEOE_2":0.03912,"moe2D_GCUT_PEOE_3":2.015,"moe2D_GCUT_SLOGP_0":-0.8311,"moe2D_GCUT_SLOGP_1":-0.2207,"moe2D_GCUT_SLOGP_2":0.2035,"moe2D_GCUT_SLOGP_3":2.134,"moe2D_GCUT_SMR_0":-0.4825,"moe2D_GCUT_SMR_1":-0.1581,"moe2D_GCUT_SMR_2":0.2455,"moe2D_GCUT_SMR_3":2.31,"moe2D_Kier1":9.091,"moe2D_Kier2":4.133,"moe2D_Kier3":2.5,"moe2D_KierA1":7.538,"moe2D_KierA2":3.356,"moe2D_KierA3":1.993,"moe2D_KierFlex":2.3,"moe2D_PEOE_PC.":0.8378,"moe2D_PEOE_PC..1":-0.8378,"moe2D_PEOE_RPC.":0.3504,"moe2D_PEOE_RPC..1":0.3757,"moe2D_PEOE_VSA.0":31.73,"moe2D_PEOE_VSA.1":29.86,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":29.58,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.82,"moe2D_PEOE_VSA_FNEG":0.5538,"moe2D_PEOE_VSA_FPNEG":0.094,"moe2D_PEOE_VSA_FPOL":0.18,"moe2D_PEOE_VSA_FPOS":0.4462,"moe2D_PEOE_VSA_FPPOS":0.08603,"moe2D_PEOE_VSA_HYD":140.2,"moe2D_PEOE_VSA_NEG":94.67,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":76.29,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1.777,"moe2D_Q_PC..1":-1.777,"moe2D_Q_RPC.":0.3567,"moe2D_Q_RPC..1":0.3208,"moe2D_Q_VSA_FHYD":0.6738,"moe2D_Q_VSA_FNEG":0.5538,"moe2D_Q_VSA_FPNEG":0.094,"moe2D_Q_VSA_FPOL":0.3262,"moe2D_Q_VSA_FPOS":0.4462,"moe2D_Q_VSA_FPPOS":0.2322,"moe2D_Q_VSA_HYD":115.2,"moe2D_Q_VSA_NEG":94.67,"moe2D_Q_VSA_PNEG":16.07,"moe2D_Q_VSA_POL":55.78,"moe2D_Q_VSA_POS":76.29,"moe2D_Q_VSA_PPOS":39.71,"moe2D_SMR":4.279,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.686,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":7.745,"moe2D_SMR_VSA7":74.53,"moe2D_SlogP":2.127,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":35.38,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":39.15,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.512,"moe2D_VDistMa":6.584,"moe2D_Weight":170.6,"moe2D_a_IC":29.41,"moe2D_a_ICM":1.634,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":18,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":22.53,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.09091,"moe2D_b_ar":6,"moe2D_b_count":18,"moe2D_b_double":1,"moe2D_b_heavy":11,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1818,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.307,"moe2D_bpol":10.95,"moe2D_chi0":8.268,"moe2D_chi0_C":5.56,"moe2D_chi0v":6.76,"moe2D_chi0v_C":4.809,"moe2D_chi1":5.236,"moe2D_chi1_C":2.966,"moe2D_chi1v":3.455,"moe2D_chi1v_C":2.071,"moeGao_chi2_C":2.203,"moeGao_chi2v_C":1.289,"moeGao_chi3c":0.691,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.314,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":3.509,"moeGao_chi3p_C":1.483,"moeGao_chi3pv":1.517,"moeGao_chi3pv_C":0.7182,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.188,"moeGao_chi4ca_C":0.9525,"moeGao_chi4cav":0.8298,"moeGao_chi4cav_C":0.3869,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.498,"moeGao_chi4pc_C":0.2357,"moeGao_chi4pcv":0.4723,"moeGao_chi4pcv_C":0.09623,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.83,"moe2D_diameter":7,"moe2D_kS_aaCH":6.532,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.6089,"moe2D_kS_aasC":0.511,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.86,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.3457,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.344,"moe2D_kS_sCl":5.607,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.494,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.439,"moe2D_logS":-2.501,"moe2D_mr":4.444,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":171,"moe2D_vdw_vol":205.5,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":135.2,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":160,"moe2D_weinerPol":13,"moe2D_zagreb":50}
{"Molecule":"methylacetate","moeGao_Abra_L":1.861,"moeGao_Abra_R":0.306,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.424,"moeGao_Abra_pi":0.558,"moe2D_BCUT_PEOE_0":-2.229,"moe2D_BCUT_PEOE_1":-0.1546,"moe2D_BCUT_PEOE_2":0.05296,"moe2D_BCUT_PEOE_3":2.266,"moe2D_BCUT_SLOGP_0":-2.295,"moe2D_BCUT_SLOGP_1":-0.02586,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.226,"moe2D_BCUT_SMR_0":-2.004,"moe2D_BCUT_SMR_1":0.06472,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.485,"moe2D_GCUT_PEOE_0":-0.7505,"moe2D_GCUT_PEOE_1":-0.3234,"moe2D_GCUT_PEOE_2":-0.107,"moe2D_GCUT_PEOE_3":1.653,"moe2D_GCUT_SLOGP_0":-0.845,"moe2D_GCUT_SLOGP_1":-0.2011,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.619,"moe2D_GCUT_SMR_0":-0.4822,"moe2D_GCUT_SMR_1":-0.1098,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":1.858,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":4.021,"moe2D_KierA2":1.686,"moe2D_KierA3":2.673,"moe2D_KierFlex":1.356,"moe2D_PEOE_PC.":0.584,"moe2D_PEOE_PC..1":-0.584,"moe2D_PEOE_RPC.":0.4431,"moe2D_PEOE_RPC..1":0.5457,"moe2D_PEOE_VSA.0":56.54,"moe2D_PEOE_VSA.1":12.8,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.6926,"moe2D_PEOE_VSA_FNEG":0.1605,"moe2D_PEOE_VSA_FPNEG":0.1605,"moe2D_PEOE_VSA_FPOL":0.3074,"moe2D_PEOE_VSA_FPOS":0.8395,"moe2D_PEOE_VSA_FPPOS":0.1469,"moe2D_PEOE_VSA_HYD":69.34,"moe2D_PEOE_VSA_NEG":16.07,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":84.05,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1,"moe2D_Q_PC..1":-1,"moe2D_Q_RPC.":0.659,"moe2D_Q_RPC..1":0.57,"moe2D_Q_VSA_FHYD":0.4429,"moe2D_Q_VSA_FNEG":0.1605,"moe2D_Q_VSA_FPNEG":0.1605,"moe2D_Q_VSA_FPOL":0.5571,"moe2D_Q_VSA_FPOS":0.8395,"moe2D_Q_VSA_FPPOS":0.3966,"moe2D_Q_VSA_HYD":44.34,"moe2D_Q_VSA_NEG":16.07,"moe2D_Q_VSA_PNEG":16.07,"moe2D_Q_VSA_POL":55.78,"moe2D_Q_VSA_POS":84.05,"moe2D_Q_VSA_PPOS":39.71,"moe2D_SMR":1.769,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":7.745,"moe2D_SMR_VSA7":68.71,"moe2D_SlogP":0.1793,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":35.38,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":74.08,"moe2D_a_IC":15.79,"moe2D_a_ICM":1.435,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":11,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":2,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":10.88,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":10,"moe2D_b_double":1,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":2.669,"moe2D_bpol":9.433,"moe2D_chi0":4.284,"moe2D_chi0_C":2.577,"moe2D_chi0v":3.316,"moe2D_chi0v_C":2.5,"moe2D_chi1":2.27,"moe2D_chi1_C":0.5774,"moe2D_chi1v":1.316,"moe2D_chi1v_C":0.5,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.08333,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.2875,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.08333,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7481,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.59,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.2454,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.711,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.111,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.185,"moe2D_logS":-0.00607,"moe2D_mr":1.902,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":100.1,"moe2D_vdw_vol":99.02,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":65.07,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"methylethylketoxime-(2-butanone","moeGao_Abra_L":2.332,"moeGao_Abra_R":0.398,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.592,"moeGao_Abra_pi":0.6,"moe2D_BCUT_PEOE_0":-2.434,"moe2D_BCUT_PEOE_1":-0.08992,"moe2D_BCUT_PEOE_2":0.1553,"moe2D_BCUT_PEOE_3":2.416,"moe2D_BCUT_SLOGP_0":-2.366,"moe2D_BCUT_SLOGP_1":-0.02678,"moe2D_BCUT_SLOGP_2":0.2263,"moe2D_BCUT_SLOGP_3":2.507,"moe2D_BCUT_SMR_0":-2.179,"moe2D_BCUT_SMR_1":0.02832,"moe2D_BCUT_SMR_2":0.2637,"moe2D_BCUT_SMR_3":2.685,"moe2D_GCUT_PEOE_0":-0.7663,"moe2D_GCUT_PEOE_1":-0.2147,"moe2D_GCUT_PEOE_2":-0.08081,"moe2D_GCUT_PEOE_3":1.906,"moe2D_GCUT_SLOGP_0":-0.7775,"moe2D_GCUT_SLOGP_1":-0.1353,"moe2D_GCUT_SLOGP_2":0.00429,"moe2D_GCUT_SLOGP_3":1.989,"moe2D_GCUT_SMR_0":-0.5093,"moe2D_GCUT_SMR_1":-0.08064,"moe2D_GCUT_SMR_2":0.02751,"moe2D_GCUT_SMR_3":2.155,"moe2D_Kier1":6,"moe2D_Kier2":3.2,"moe2D_Kier3":3,"moe2D_KierA1":5.037,"moe2D_KierA2":2.574,"moe2D_KierA3":2.31,"moe2D_KierFlex":2.16,"moe2D_PEOE_PC.":0.5106,"moe2D_PEOE_PC..1":-0.5106,"moe2D_PEOE_RPC.":0.483,"moe2D_PEOE_RPC..1":0.521,"moe2D_PEOE_VSA.0":40.82,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":10.89,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":11.17,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.82,"moe2D_PEOE_VSA_FNEG":0.5716,"moe2D_PEOE_VSA_FPNEG":0.09352,"moe2D_PEOE_VSA_FPOL":0.18,"moe2D_PEOE_VSA_FPOS":0.4284,"moe2D_PEOE_VSA_FPPOS":0.08647,"moe2D_PEOE_VSA_HYD":97.9,"moe2D_PEOE_VSA_NEG":68.25,"moe2D_PEOE_VSA_PNEG":11.17,"moe2D_PEOE_VSA_POL":21.49,"moe2D_PEOE_VSA_POS":51.15,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.85,"moe2D_Q_PC..1":-0.85,"moe2D_Q_RPC.":0.4706,"moe2D_Q_RPC..1":0.6035,"moe2D_Q_VSA_FHYD":0.6727,"moe2D_Q_VSA_FNEG":0.1847,"moe2D_Q_VSA_FPNEG":0.1847,"moe2D_Q_VSA_FPOL":0.3273,"moe2D_Q_VSA_FPOS":0.8153,"moe2D_Q_VSA_FPPOS":0.1426,"moe2D_Q_VSA_HYD":80.32,"moe2D_Q_VSA_NEG":22.05,"moe2D_Q_VSA_PNEG":22.05,"moe2D_Q_VSA_POL":39.08,"moe2D_Q_VSA_POS":97.34,"moe2D_Q_VSA_PPOS":17.02,"moe2D_SMR":2.603,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":19.4,"moe2D_SMR_VSA2":25.6,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":2.757,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":1.247,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":2.757,"moe2D_SlogP_VSA2":25.6,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":19.4,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":32.59,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.826,"moe2D_VDistMa":4.76,"moe2D_Weight":87.12,"moe2D_a_IC":22.07,"moe2D_a_ICM":1.472,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":15,"moe2D_a_don":1,"moe2D_a_heavy":6,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":9,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":14.94,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.2,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":1,"moe2D_b_heavy":5,"moe2D_b_rotN":1,"moe2D_b_rotR":0.2,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.856,"moe2D_bpol":9.839,"moe2D_chi0":4.992,"moe2D_chi0_C":3.284,"moe2D_chi0v":4.102,"moe2D_chi0v_C":3.207,"moe2D_chi1":2.808,"moe2D_chi1_C":1.693,"moe2D_chi1v":1.984,"moe2D_chi1v_C":1.561,"moeGao_chi2_C":0.8165,"moeGao_chi2v_C":0.7071,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1581,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.394,"moeGao_chi3p_C":0.4082,"moeGao_chi3pv":0.6824,"moeGao_chi3pv_C":0.3536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.2887,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.07071,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.5774,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2288,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6782,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":2.924,"moe2D_kS_dssC":0.7731,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.717,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":7.923,"moe2D_kS_ssCH2":0.8299,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.818,"moe2D_logS":0.0464,"moe2D_mr":2.523,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":119.4,"moe2D_vdw_vol":128.5,"moe2D_vsa_acc":10.89,"moe2D_vsa_don":0,"moe2D_vsa_hyd":74.63,"moe2D_vsa_other":6.7,"moe2D_vsa_pol":27.85,"moe2D_weinerPath":31,"moe2D_weinerPol":4,"moe2D_zagreb":20}
{"Molecule":"methylmethacrylate","moeGao_Abra_L":2.729,"moeGao_Abra_R":0.441,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.443,"moeGao_Abra_pi":0.574,"moe2D_BCUT_PEOE_0":-2.26,"moe2D_BCUT_PEOE_1":-0.1222,"moe2D_BCUT_PEOE_2":0.05329,"moe2D_BCUT_PEOE_3":2.278,"moe2D_BCUT_SLOGP_0":-2.283,"moe2D_BCUT_SLOGP_1":0.01521,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.329,"moe2D_BCUT_SMR_0":-2.009,"moe2D_BCUT_SMR_1":0.08317,"moe2D_BCUT_SMR_2":0.1378,"moe2D_BCUT_SMR_3":2.537,"moe2D_GCUT_PEOE_0":-0.7467,"moe2D_GCUT_PEOE_1":-0.3178,"moe2D_GCUT_PEOE_2":-0.1067,"moe2D_GCUT_PEOE_3":1.837,"moe2D_GCUT_SLOGP_0":-0.844,"moe2D_GCUT_SLOGP_1":-0.1951,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.871,"moe2D_GCUT_SMR_0":-0.4858,"moe2D_GCUT_SMR_1":-0.08203,"moe2D_GCUT_SMR_2":-0.04448,"moe2D_GCUT_SMR_3":2.081,"moe2D_Kier1":7,"moe2D_Kier2":3.061,"moe2D_Kier3":2.667,"moe2D_KierA1":5.294,"moe2D_KierA2":2.189,"moe2D_KierA3":1.788,"moe2D_KierFlex":1.655,"moe2D_PEOE_PC.":0.6993,"moe2D_PEOE_PC..1":-0.6993,"moe2D_PEOE_RPC.":0.4128,"moe2D_PEOE_RPC..1":0.4505,"moe2D_PEOE_VSA.0":40,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":22.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.7689,"moe2D_PEOE_VSA_FNEG":0.429,"moe2D_PEOE_VSA_FPNEG":0.1207,"moe2D_PEOE_VSA_FPOL":0.2311,"moe2D_PEOE_VSA_FPOS":0.571,"moe2D_PEOE_VSA_FPPOS":0.1105,"moe2D_PEOE_VSA_HYD":102.4,"moe2D_PEOE_VSA_NEG":57.12,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":76.04,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1.424,"moe2D_Q_PC..1":-1.424,"moe2D_Q_RPC.":0.4956,"moe2D_Q_RPC..1":0.4003,"moe2D_Q_VSA_FHYD":0.4136,"moe2D_Q_VSA_FNEG":0.3048,"moe2D_Q_VSA_FPNEG":0.2882,"moe2D_Q_VSA_FPOL":0.5864,"moe2D_Q_VSA_FPOS":0.6952,"moe2D_Q_VSA_FPPOS":0.2982,"moe2D_Q_VSA_HYD":55.08,"moe2D_Q_VSA_NEG":40.58,"moe2D_Q_VSA_PNEG":38.37,"moe2D_Q_VSA_POL":78.08,"moe2D_Q_VSA_POS":92.58,"moe2D_Q_VSA_PPOS":39.71,"moe2D_SMR":2.683,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":7.745,"moe2D_SMR_VSA7":100.8,"moe2D_SlogP":0.7355,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":38.57,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":65.43,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.884,"moe2D_VDistMa":5.251,"moe2D_Weight":100.1,"moe2D_a_IC":20.99,"moe2D_a_ICM":1.4,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":15,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":15.74,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1667,"moe2D_b_ar":0,"moe2D_b_count":14,"moe2D_b_double":2,"moe2D_b_heavy":6,"moe2D_b_rotN":2,"moe2D_b_rotR":0.3333,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":3.256,"moe2D_bpol":11.62,"moe2D_chi0":5.862,"moe2D_chi0_C":4.155,"moe2D_chi0v":4.524,"moe2D_chi0v_C":3.707,"moe2D_chi1":3.181,"moe2D_chi1_C":1.488,"moe2D_chi1v":1.92,"moe2D_chi1v_C":1.104,"moeGao_chi2_C":1.244,"moeGao_chi2v_C":0.7803,"moeGao_chi3c":0.569,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.2184,"moeGao_chi3cv_C":0.1768,"moeGao_chi3p":1.782,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.5339,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.4714,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.1742,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.276,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2571,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7051,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":3.351,"moe2D_kS_dO":10.19,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.08565,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.933,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.273,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.765,"moe2D_logS":-0.5119,"moe2D_mr":2.769,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":133.2,"moe2D_vdw_vol":142,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":96.68,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":46,"moe2D_weinerPol":6,"moe2D_zagreb":26}
{"Molecule":"methyltert-butylether","moeGao_Abra_L":2.217,"moeGao_Abra_R":0.033,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.347,"moeGao_Abra_pi":0.233,"moe2D_BCUT_PEOE_0":-2.625,"moe2D_BCUT_PEOE_1":0.02571,"moe2D_BCUT_PEOE_2":0.05237,"moe2D_BCUT_PEOE_3":2.583,"moe2D_BCUT_SLOGP_0":-2.6,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.623,"moe2D_BCUT_SMR_0":-2.383,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.819,"moe2D_GCUT_PEOE_0":-0.8191,"moe2D_GCUT_PEOE_1":-0.1343,"moe2D_GCUT_PEOE_2":-0.1076,"moe2D_GCUT_PEOE_3":2.123,"moe2D_GCUT_SLOGP_0":-0.8295,"moe2D_GCUT_SLOGP_1":-0.03989,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.184,"moe2D_GCUT_SMR_0":-0.5271,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.33,"moe2D_Kier1":6,"moe2D_Kier2":1.633,"moe2D_Kier3":5.333,"moe2D_KierA1":6,"moe2D_KierA2":1.633,"moe2D_KierA3":5.333,"moe2D_KierFlex":1.633,"moe2D_PEOE_PC.":0.4865,"moe2D_PEOE_PC..1":-0.4865,"moe2D_PEOE_RPC.":0.125,"moe2D_PEOE_RPC..1":0.7758,"moe2D_PEOE_VSA.0":63.39,"moe2D_PEOE_VSA.1":12.8,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":56.24,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.9814,"moe2D_PEOE_VSA_FNEG":0.4354,"moe2D_PEOE_VSA_FPNEG":0.01856,"moe2D_PEOE_VSA_FPOL":0.01856,"moe2D_PEOE_VSA_FPOS":0.5646,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":132.4,"moe2D_PEOE_VSA_NEG":58.75,"moe2D_PEOE_VSA_PNEG":2.504,"moe2D_PEOE_VSA_POL":2.504,"moe2D_PEOE_VSA_POS":76.18,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.56,"moe2D_Q_PC..1":-0.56,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7962,"moe2D_Q_VSA_FNEG":0.01856,"moe2D_Q_VSA_FPNEG":0.01856,"moe2D_Q_VSA_FPOL":0.2038,"moe2D_Q_VSA_FPOS":0.9814,"moe2D_Q_VSA_FPPOS":0.1853,"moe2D_Q_VSA_HYD":107.4,"moe2D_Q_VSA_NEG":2.504,"moe2D_Q_VSA_PNEG":2.504,"moe2D_Q_VSA_POL":27.5,"moe2D_Q_VSA_POS":132.4,"moe2D_Q_VSA_PPOS":25,"moe2D_SMR":2.676,"moe2D_SMR_VSA0":11,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":135.4,"moe2D_SlogP":1.431,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":35.38,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":9.23,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.506,"moe2D_VDistMa":4.798,"moe2D_Weight":88.15,"moe2D_a_IC":20.43,"moe2D_a_ICM":1.135,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":18,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":17.6,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":17,"moe2D_b_double":0,"moe2D_b_heavy":5,"moe2D_b_rotN":1,"moe2D_b_rotR":0.2,"moe2D_b_single":17,"moe2D_b_triple":0,"moe2D_balabanJ":3.168,"moe2D_bpol":15.03,"moe2D_chi0":5.207,"moe2D_chi0_C":4.5,"moe2D_chi0v":4.908,"moe2D_chi0v_C":4.5,"moe2D_chi1":2.561,"moe2D_chi1_C":1.5,"moe2D_chi1v":2.112,"moe2D_chi1v_C":1.5,"moeGao_chi2_C":1.5,"moeGao_chi2v_C":1.5,"moeGao_chi3c":1.561,"moeGao_chi3c_C":0.5,"moeGao_chi3cv":1.112,"moeGao_chi3cv_C":0.5,"moeGao_chi3p":1.061,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.6124,"moeGao_chi3pv_C":0,"moeGao_chi4c":0.3536,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.2041,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.061,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.6124,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6009,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":7.771,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.938,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0.04167,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.418,"moe2D_logS":-0.7148,"moe2D_mr":2.667,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":134.9,"moe2D_vdw_vol":146.7,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":123.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":2.504,"moe2D_weinerPath":28,"moe2D_weinerPol":3,"moe2D_zagreb":24}
{"Molecule":"nn","moeGao_Abra_L":5.164,"moeGao_Abra_R":0.349,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.749,"moeGao_Abra_pi":0.486,"moe2D_BCUT_PEOE_0":-2.828,"moe2D_BCUT_PEOE_1":-0.03821,"moe2D_BCUT_PEOE_2":0.04239,"moe2D_BCUT_PEOE_3":2.748,"moe2D_BCUT_SLOGP_0":-2.802,"moe2D_BCUT_SLOGP_1":0.02439,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.847,"moe2D_BCUT_SMR_0":-2.561,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1231,"moe2D_BCUT_SMR_3":3.011,"moe2D_GCUT_PEOE_0":-0.8591,"moe2D_GCUT_PEOE_1":-0.2225,"moe2D_GCUT_PEOE_2":-0.1176,"moe2D_GCUT_PEOE_3":2.637,"moe2D_GCUT_SLOGP_0":-0.9533,"moe2D_GCUT_SLOGP_1":-0.1693,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.709,"moe2D_GCUT_SMR_0":-0.5292,"moe2D_GCUT_SMR_1":-0.06946,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.864,"moe2D_Kier1":9.091,"moe2D_Kier2":4.793,"moe2D_Kier3":2.5,"moe2D_KierA1":9.091,"moe2D_KierA2":4.793,"moe2D_KierA3":2.5,"moe2D_KierFlex":3.961,"moe2D_PEOE_PC.":0.6429,"moe2D_PEOE_PC..1":-0.6429,"moe2D_PEOE_RPC.":0.07193,"moe2D_PEOE_RPC..1":0.4665,"moe2D_PEOE_VSA.0":92.72,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":43.79,"moe2D_PEOE_VSA.1.1":63.6,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.5366,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.4634,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":200.1,"moe2D_PEOE_VSA_NEG":107.4,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":92.72,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.81,"moe2D_Q_PC..1":-0.81,"moe2D_Q_RPC.":0.3333,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8524,"moe2D_Q_VSA_FNEG":0,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0.1476,"moe2D_Q_VSA_FPOS":1,"moe2D_Q_VSA_FPPOS":0.1476,"moe2D_Q_VSA_HYD":170.6,"moe2D_Q_VSA_NEG":0,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":29.53,"moe2D_Q_VSA_POS":200.1,"moe2D_Q_VSA_PPOS":29.53,"moe2D_SMR":4.979,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":3.124,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.982,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":94.34,"moe2D_SMR_VSA6":36.88,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.661,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":3.124,"moe2D_SlogP_VSA2":3.982,"moe2D_SlogP_VSA3":36.88,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":94.34,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":3.24,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.418,"moe2D_VDistMa":6.604,"moe2D_Weight":155.3,"moe2D_a_IC":34.54,"moe2D_a_ICM":1.079,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":32,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":21,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":32.7,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.2727,"moe2D_b_ar":0,"moe2D_b_count":32,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":3,"moe2D_b_rotR":0.2727,"moe2D_b_single":32,"moe2D_b_triple":0,"moe2D_balabanJ":2.297,"moe2D_bpol":24.94,"moe2D_chi0":8.104,"moe2D_chi0_C":7.527,"moe2D_chi0v":7.974,"moe2D_chi0v_C":7.527,"moe2D_chi1":5.381,"moe2D_chi1_C":4.231,"moe2D_chi1v":5.121,"moe2D_chi1v_C":4.231,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.927,"moeGao_chi3c":0.3333,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2582,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.365,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":2.903,"moeGao_chi3pv_C":1.316,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.561,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":2.186,"moeGao_chi4cav_C":0.8985,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.04,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.8059,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5923,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.552,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":9.756,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.9155,"moe2D_kS_sssN":2.61,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.828,"moe2D_logS":-1.614,"moe2D_mr":4.949,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":200.1,"moe2D_vdw_vol":262.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":185.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":158,"moe2D_weinerPol":13,"moe2D_zagreb":48}
{"Molecule":"nn-dibutylformamide","moeGao_Abra_L":5.13,"moeGao_Abra_R":0.287,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":1.083,"moeGao_Abra_pi":0.87,"moe2D_BCUT_PEOE_0":-2.68,"moe2D_BCUT_PEOE_1":-0.09186,"moe2D_BCUT_PEOE_2":0.04883,"moe2D_BCUT_PEOE_3":2.602,"moe2D_BCUT_SLOGP_0":-2.687,"moe2D_BCUT_SLOGP_1":-0.04288,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.676,"moe2D_BCUT_SMR_0":-2.413,"moe2D_BCUT_SMR_1":0.08029,"moe2D_BCUT_SMR_2":0.1147,"moe2D_BCUT_SMR_3":2.865,"moe2D_GCUT_PEOE_0":-0.8556,"moe2D_GCUT_PEOE_1":-0.2241,"moe2D_GCUT_PEOE_2":-0.1112,"moe2D_GCUT_PEOE_3":2.392,"moe2D_GCUT_SLOGP_0":-0.9629,"moe2D_GCUT_SLOGP_1":-0.2092,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.444,"moe2D_GCUT_SMR_0":-0.5312,"moe2D_GCUT_SMR_1":-0.08902,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.618,"moe2D_Kier1":11,"moe2D_Kier2":8.1,"moe2D_Kier3":6.4,"moe2D_KierA1":9.563,"moe2D_KierA2":6.934,"moe2D_KierA3":5.404,"moe2D_KierFlex":6.029,"moe2D_PEOE_PC.":0.9316,"moe2D_PEOE_PC..1":-0.9316,"moe2D_PEOE_RPC.":0.226,"moe2D_PEOE_RPC..1":0.3701,"moe2D_PEOE_VSA.0":103.2,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":23,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":54.9,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.831,"moe2D_PEOE_VSA_FNEG":0.397,"moe2D_PEOE_VSA_FPNEG":0.06273,"moe2D_PEOE_VSA_FPOL":0.169,"moe2D_PEOE_VSA_FPOS":0.603,"moe2D_PEOE_VSA_FPPOS":0.1063,"moe2D_PEOE_VSA_HYD":179.7,"moe2D_PEOE_VSA_NEG":85.87,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":36.56,"moe2D_PEOE_VSA_POS":130.4,"moe2D_PEOE_VSA_PPOS":23,"moe2D_Q_PC.":1.23,"moe2D_Q_PC..1":-1.23,"moe2D_Q_RPC.":0.4633,"moe2D_Q_RPC..1":0.5367,"moe2D_Q_VSA_FHYD":0.709,"moe2D_Q_VSA_FNEG":0.06273,"moe2D_Q_VSA_FPNEG":0.06273,"moe2D_Q_VSA_FPOL":0.291,"moe2D_Q_VSA_FPOS":0.9373,"moe2D_Q_VSA_FPPOS":0.2283,"moe2D_Q_VSA_HYD":153.3,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":62.95,"moe2D_Q_VSA_POS":202.7,"moe2D_Q_VSA_PPOS":49.38,"moe2D_SMR":4.745,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":3.124,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":36.88,"moe2D_SMR_VSA7":86.37,"moe2D_SlogP":2.045,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":3.124,"moe2D_SlogP_VSA2":43.58,"moe2D_SlogP_VSA3":36.88,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":20.31,"moe2D_VAdjEq":0.6468,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.767,"moe2D_VDistMa":6.569,"moe2D_Weight":157.3,"moe2D_a_IC":37.97,"moe2D_a_ICM":1.266,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":30,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":19,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":30.41,"moe2D_b_1rotN":7,"moe2D_b_1rotR":0.7,"moe2D_b_ar":0,"moe2D_b_count":29,"moe2D_b_double":1,"moe2D_b_heavy":10,"moe2D_b_rotN":7,"moe2D_b_rotR":0.7,"moe2D_b_single":28,"moe2D_b_triple":0,"moe2D_balabanJ":3.259,"moe2D_bpol":23.71,"moe2D_chi0":8.527,"moe2D_chi0_C":6.95,"moe2D_chi0v":7.675,"moe2D_chi0v_C":6.82,"moe2D_chi1":5.346,"moe2D_chi1_C":3.414,"moe2D_chi1v":4.541,"moe2D_chi1v_C":3.414,"moeGao_chi2_C":1.707,"moeGao_chi2v_C":1.707,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1291,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.509,"moeGao_chi3p_C":0.7071,"moeGao_chi3pv":1.747,"moeGao_chi3pv_C":0.7071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.538,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.9396,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2353,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.622,"moe2D_diameter":8,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.44,"moe2D_kS_dsCH":0.9636,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.283,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":6.442,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":1.868,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.511,"moe2D_logS":-1.642,"moe2D_mr":4.86,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":6,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":216.3,"moe2D_vdw_vol":252.8,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":162.6,"moe2D_vsa_other":26.55,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":188,"moe2D_weinerPol":10,"moe2D_zagreb":40}
{"Molecule":"nn-diethylaniline","moeGao_Abra_L":5.608,"moeGao_Abra_R":0.906,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.461,"moeGao_Abra_pi":0.773,"moe2D_BCUT_PEOE_0":-2.596,"moe2D_BCUT_PEOE_1":-0.5171,"moe2D_BCUT_PEOE_2":0.5376,"moe2D_BCUT_PEOE_3":2.492,"moe2D_BCUT_SLOGP_0":-2.638,"moe2D_BCUT_SLOGP_1":-0.4353,"moe2D_BCUT_SLOGP_2":0.6497,"moe2D_BCUT_SLOGP_3":2.511,"moe2D_BCUT_SMR_0":-2.296,"moe2D_BCUT_SMR_1":-0.3457,"moe2D_BCUT_SMR_2":0.7119,"moe2D_BCUT_SMR_3":2.792,"moe2D_GCUT_PEOE_0":-0.841,"moe2D_GCUT_PEOE_1":-0.3629,"moe2D_GCUT_PEOE_2":0.01195,"moe2D_GCUT_PEOE_3":2.306,"moe2D_GCUT_SLOGP_0":-0.9805,"moe2D_GCUT_SLOGP_1":-0.2458,"moe2D_GCUT_SLOGP_2":0.1233,"moe2D_GCUT_SLOGP_3":2.411,"moe2D_GCUT_SMR_0":-0.5081,"moe2D_GCUT_SMR_1":-0.1695,"moe2D_GCUT_SMR_2":0.1485,"moe2D_GCUT_SMR_3":2.591,"moe2D_Kier1":9.091,"moe2D_Kier2":4.793,"moe2D_Kier3":2.5,"moe2D_KierA1":6.803,"moe2D_KierA2":3.47,"moe2D_KierA3":1.757,"moe2D_KierFlex":2.146,"moe2D_PEOE_PC.":0.6482,"moe2D_PEOE_PC..1":-0.6482,"moe2D_PEOE_RPC.":0.09768,"moe2D_PEOE_RPC..1":0.4237,"moe2D_PEOE_VSA.0":75.74,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":74.26,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.5044,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.4956,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":195.8,"moe2D_PEOE_VSA_NEG":98.77,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":97.06,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.588,"moe2D_Q_PC..1":-1.588,"moe2D_Q_RPC.":0.2324,"moe2D_Q_RPC..1":0.5278,"moe2D_Q_VSA_FHYD":0.8653,"moe2D_Q_VSA_FNEG":0.3129,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0.1347,"moe2D_Q_VSA_FPOS":0.6871,"moe2D_Q_VSA_FPPOS":0.1347,"moe2D_Q_VSA_HYD":169.5,"moe2D_Q_VSA_NEG":61.27,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":26.38,"moe2D_Q_VSA_POS":134.6,"moe2D_Q_VSA_PPOS":26.38,"moe2D_SMR":5,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":3.124,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":36.88,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.533,"moe2D_SlogP_VSA0":3.124,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":36.88,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":69.41,"moe2D_TPSA":3.24,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.418,"moe2D_VDistMa":6.604,"moe2D_Weight":149.2,"moe2D_a_IC":30.39,"moe2D_a_ICM":1.169,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":26,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":15,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":28.7,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.2727,"moe2D_b_ar":6,"moe2D_b_count":26,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":3,"moe2D_b_rotR":0.2727,"moe2D_b_single":20,"moe2D_b_triple":0,"moe2D_balabanJ":2.324,"moe2D_bpol":18.38,"moe2D_chi0":8.104,"moe2D_chi0_C":7.527,"moe2D_chi0v":7.248,"moe2D_chi0v_C":6.801,"moe2D_chi1":5.381,"moe2D_chi1_C":4.231,"moe2D_chi1v":4.181,"moe2D_chi1v_C":3.325,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.077,"moeGao_chi3c":0.3333,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1863,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.365,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":1.885,"moeGao_chi3pv_C":0.6071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.561,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":1.228,"moeGao_chi4cav_C":0.3419,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.04,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.5442,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6104,"moe2D_diameter":6,"moe2D_kS_aaCH":10.49,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.317,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.354,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":2.168,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":2.333,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.503,"moe2D_logS":-1.967,"moe2D_mr":4.897,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":195.8,"moe2D_vdw_vol":244.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":185.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":158,"moe2D_weinerPol":13,"moe2D_zagreb":48}
{"Molecule":"nn-diethylethanolamine(2-diethylaminothanol)","moeGao_Abra_L":3.768,"moeGao_Abra_R":0.35,"moeGao_Abra_acidity":0.286,"moeGao_Abra_basicity":1.045,"moeGao_Abra_pi":0.63,"moe2D_BCUT_PEOE_0":-2.669,"moe2D_BCUT_PEOE_1":-0.05426,"moe2D_BCUT_PEOE_2":0.05295,"moe2D_BCUT_PEOE_3":2.565,"moe2D_BCUT_SLOGP_0":-2.748,"moe2D_BCUT_SLOGP_1":0.00471,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.518,"moe2D_BCUT_SMR_0":-2.393,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1266,"moe2D_BCUT_SMR_3":2.831,"moe2D_GCUT_PEOE_0":-0.856,"moe2D_GCUT_PEOE_1":-0.2443,"moe2D_GCUT_PEOE_2":-0.1071,"moe2D_GCUT_PEOE_3":2.248,"moe2D_GCUT_SLOGP_0":-0.9599,"moe2D_GCUT_SLOGP_1":-0.2054,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.228,"moe2D_GCUT_SMR_0":-0.522,"moe2D_GCUT_SMR_1":-0.07321,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.471,"moe2D_Kier1":8,"moe2D_Kier2":5.143,"moe2D_Kier3":3.673,"moe2D_KierA1":8,"moe2D_KierA2":5.143,"moe2D_KierA3":3.673,"moe2D_KierFlex":5.143,"moe2D_PEOE_PC.":0.8069,"moe2D_PEOE_PC..1":-0.8069,"moe2D_PEOE_RPC.":0.2596,"moe2D_PEOE_RPC..1":0.488,"moe2D_PEOE_VSA.0":64.38,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":26.38,"moe2D_PEOE_VSA.1.1":37.5,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8935,"moe2D_PEOE_VSA_FNEG":0.4219,"moe2D_PEOE_VSA_FPNEG":0.04574,"moe2D_PEOE_VSA_FPOL":0.1065,"moe2D_PEOE_VSA_FPOS":0.5781,"moe2D_PEOE_VSA_FPPOS":0.06079,"moe2D_PEOE_VSA_HYD":151.7,"moe2D_PEOE_VSA_NEG":71.65,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":98.18,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.49,"moe2D_Q_PC..1":-1.49,"moe2D_Q_RPC.":0.2685,"moe2D_Q_RPC..1":0.5436,"moe2D_Q_VSA_FHYD":0.5724,"moe2D_Q_VSA_FNEG":0.04574,"moe2D_Q_VSA_FPNEG":0.04574,"moe2D_Q_VSA_FPOL":0.4276,"moe2D_Q_VSA_FPOS":0.9543,"moe2D_Q_VSA_FPPOS":0.3819,"moe2D_Q_VSA_HYD":97.21,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":72.62,"moe2D_Q_VSA_POS":162.1,"moe2D_Q_VSA_PPOS":64.85,"moe2D_SMR":3.487,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":28.51,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":76.24,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.3205,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":3.124,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":76.24,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":23.47,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":2.216,"moe2D_VDistMa":5.635,"moe2D_Weight":117.2,"moe2D_a_IC":29.93,"moe2D_a_ICM":1.301,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":23,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":15,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":22.46,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.5714,"moe2D_b_ar":0,"moe2D_b_count":22,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":4,"moe2D_b_rotR":0.5714,"moe2D_b_single":22,"moe2D_b_triple":0,"moe2D_balabanJ":3.074,"moe2D_bpol":18.38,"moe2D_chi0":6.406,"moe2D_chi0_C":4.828,"moe2D_chi0v":5.723,"moe2D_chi0v_C":4.828,"moe2D_chi1":3.846,"moe2D_chi1_C":1.914,"moe2D_chi1v":3.179,"moe2D_chi1v_C":1.914,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1581,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.852,"moeGao_chi3p_C":0,"moeGao_chi3pv":1.311,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.105,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.6813,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.5526,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.428,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.627,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.193,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.457,"moe2D_kS_ssCH2":3.169,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":2.181,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.155,"moe2D_logS":0.05969,"moe2D_mr":3.504,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":169.8,"moe2D_vdw_vol":186.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":141.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":72,"moe2D_weinerPol":7,"moe2D_zagreb":28}
{"Molecule":"nn-dimethybenzylamine","moeGao_Abra_L":4.64,"moeGao_Abra_R":0.78,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.793,"moeGao_Abra_pi":0.801,"moe2D_BCUT_PEOE_0":-2.557,"moe2D_BCUT_PEOE_1":-0.3874,"moe2D_BCUT_PEOE_2":0.4038,"moe2D_BCUT_PEOE_3":2.43,"moe2D_BCUT_SLOGP_0":-2.567,"moe2D_BCUT_SLOGP_1":-0.3086,"moe2D_BCUT_SLOGP_2":0.4958,"moe2D_BCUT_SLOGP_3":2.492,"moe2D_BCUT_SMR_0":-2.262,"moe2D_BCUT_SMR_1":-0.2255,"moe2D_BCUT_SMR_2":0.5437,"moe2D_BCUT_SMR_3":2.719,"moe2D_GCUT_PEOE_0":-0.8582,"moe2D_GCUT_PEOE_1":-0.35,"moe2D_GCUT_PEOE_2":0.00175,"moe2D_GCUT_PEOE_3":2.207,"moe2D_GCUT_SLOGP_0":-0.9242,"moe2D_GCUT_SLOGP_1":-0.2491,"moe2D_GCUT_SLOGP_2":0.07993,"moe2D_GCUT_SLOGP_3":2.318,"moe2D_GCUT_SMR_0":-0.5121,"moe2D_GCUT_SMR_1":-0.1509,"moe2D_GCUT_SMR_2":0.09876,"moe2D_GCUT_SMR_3":2.484,"moe2D_Kier1":8.1,"moe2D_Kier2":4,"moe2D_Kier3":3.111,"moe2D_KierA1":6.23,"moe2D_KierA2":2.976,"moe2D_KierA3":2.252,"moe2D_KierFlex":1.854,"moe2D_PEOE_PC.":0.6624,"moe2D_PEOE_PC..1":-0.6624,"moe2D_PEOE_RPC.":0.09371,"moe2D_PEOE_RPC..1":0.4592,"moe2D_PEOE_VSA.0":47.32,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":48.69,"moe2D_PEOE_VSA.1.1":61.27,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6157,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3843,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":178.6,"moe2D_PEOE_VSA_NEG":110,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":68.64,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.704,"moe2D_Q_PC..1":-1.704,"moe2D_Q_RPC.":0.2427,"moe2D_Q_RPC..1":0.4755,"moe2D_Q_VSA_FHYD":0.6659,"moe2D_Q_VSA_FNEG":0.3554,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0.3341,"moe2D_Q_VSA_FPOS":0.6446,"moe2D_Q_VSA_FPPOS":0.3341,"moe2D_Q_VSA_HYD":118.9,"moe2D_Q_VSA_NEG":63.48,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":59.67,"moe2D_Q_VSA_POS":115.1,"moe2D_Q_VSA_PPOS":59.67,"moe2D_SMR":4.404,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":3.124,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":106.7,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":65.79,"moe2D_SlogP":2.015,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":3.124,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":65.79,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":18.44,"moe2D_TPSA":3.24,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.425,"moe2D_VDistMa":6.296,"moe2D_Weight":135.2,"moe2D_a_IC":27.41,"moe2D_a_ICM":1.192,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":23,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":13,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":25.61,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.2,"moe2D_b_ar":6,"moe2D_b_count":23,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":2,"moe2D_b_rotR":0.2,"moe2D_b_single":17,"moe2D_b_triple":0,"moe2D_balabanJ":2.164,"moe2D_bpol":16.19,"moe2D_chi0":7.397,"moe2D_chi0_C":6.82,"moe2D_chi0v":6.541,"moe2D_chi0v_C":6.094,"moe2D_chi1":4.788,"moe2D_chi1_C":3.225,"moe2D_chi1v":3.475,"moe2D_chi1v_C":2.264,"moeGao_chi2_C":2.504,"moeGao_chi2v_C":1.486,"moeGao_chi3c":0.6124,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.4341,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":2.529,"moeGao_chi3p_C":1.725,"moeGao_chi3pv":1.342,"moeGao_chi3pv_C":0.8428,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.09,"moeGao_chi4ca_C":1.187,"moeGao_chi4cav":0.9486,"moeGao_chi4cav_C":0.478,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.6422,"moeGao_chi4pc_C":0.2887,"moeGao_chi4pcv":0.3469,"moeGao_chi4pcv_C":0.1361,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6144,"moe2D_diameter":6,"moe2D_kS_aaCH":10.46,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.368,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.153,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.029,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":2.162,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.955,"moe2D_logS":-1.256,"moe2D_mr":4.424,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":178.6,"moe2D_vdw_vol":220.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":169.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":126,"moe2D_weinerPol":9,"moe2D_zagreb":44}
{"Molecule":"nn-dimethylaniline","moeGao_Abra_L":4.61,"moeGao_Abra_R":0.906,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.461,"moeGao_Abra_pi":0.773,"moe2D_BCUT_PEOE_0":-2.472,"moe2D_BCUT_PEOE_1":-0.5511,"moe2D_BCUT_PEOE_2":0.5502,"moe2D_BCUT_PEOE_3":2.343,"moe2D_BCUT_SLOGP_0":-2.537,"moe2D_BCUT_SLOGP_1":-0.4788,"moe2D_BCUT_SLOGP_2":0.6621,"moe2D_BCUT_SLOGP_3":2.394,"moe2D_BCUT_SMR_0":-2.146,"moe2D_BCUT_SMR_1":-0.3605,"moe2D_BCUT_SMR_2":0.7398,"moe2D_BCUT_SMR_3":2.67,"moe2D_GCUT_PEOE_0":-0.843,"moe2D_GCUT_PEOE_1":-0.3641,"moe2D_GCUT_PEOE_2":0.01234,"moe2D_GCUT_PEOE_3":2.111,"moe2D_GCUT_SLOGP_0":-0.9807,"moe2D_GCUT_SLOGP_1":-0.2458,"moe2D_GCUT_SLOGP_2":0.1246,"moe2D_GCUT_SLOGP_3":2.24,"moe2D_GCUT_SMR_0":-0.4799,"moe2D_GCUT_SMR_1":-0.1737,"moe2D_GCUT_SMR_2":0.1565,"moe2D_GCUT_SMR_3":2.416,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":2,"moe2D_KierA1":4.94,"moe2D_KierA2":2.133,"moe2D_KierA3":1.249,"moe2D_KierFlex":1.17,"moe2D_PEOE_PC.":0.5664,"moe2D_PEOE_PC..1":-0.5664,"moe2D_PEOE_RPC.":0.1118,"moe2D_PEOE_RPC..1":0.4948,"moe2D_PEOE_VSA.0":32.29,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":70.99,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6677,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3323,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":161.4,"moe2D_PEOE_VSA_NEG":107.8,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":53.62,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.588,"moe2D_Q_PC..1":-1.588,"moe2D_Q_RPC.":0.2324,"moe2D_Q_RPC..1":0.5278,"moe2D_Q_VSA_FHYD":0.712,"moe2D_Q_VSA_FNEG":0.3797,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0.288,"moe2D_Q_VSA_FPOS":0.6203,"moe2D_Q_VSA_FPPOS":0.288,"moe2D_Q_VSA_HYD":114.9,"moe2D_Q_VSA_NEG":61.27,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":46.48,"moe2D_Q_VSA_POS":100.1,"moe2D_Q_VSA_PPOS":46.48,"moe2D_SMR":4.077,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":3.124,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":65.79,"moe2D_SlogP":1.753,"moe2D_SlogP_VSA0":3.124,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":65.79,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":2.757,"moe2D_TPSA":3.24,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.15,"moe2D_VDistMa":6.005,"moe2D_Weight":121.2,"moe2D_a_IC":24.38,"moe2D_a_ICM":1.219,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":20,"moe2D_a_don":0,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":22.51,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":20,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.277,"moe2D_bpol":14.01,"moe2D_chi0":6.69,"moe2D_chi0_C":6.113,"moe2D_chi0v":5.834,"moe2D_chi0v_C":5.387,"moe2D_chi1":4.305,"moe2D_chi1_C":2.816,"moe2D_chi1v":3.029,"moe2D_chi1v_C":1.911,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.077,"moeGao_chi3c":0.5,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2981,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.593,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":1.273,"moeGao_chi3pv_C":0.6071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.801,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":0.7261,"moeGao_chi4cav_C":0.3419,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.04,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.4933,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6194,"moe2D_diameter":5,"moe2D_kS_aaCH":10.26,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.248,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.074,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":2.083,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.821,"moe2D_logS":-1.312,"moe2D_mr":3.961,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":161.4,"moe2D_vdw_vol":195.6,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":153.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":88,"moe2D_weinerPol":9,"moe2D_zagreb":40}
{"Molecule":"nn-dimethylformamide-(dimethylformamide)","moeGao_Abra_L":2.136,"moeGao_Abra_R":0.287,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":1.083,"moeGao_Abra_pi":0.87,"moe2D_BCUT_PEOE_0":-2.444,"moe2D_BCUT_PEOE_1":-0.1037,"moe2D_BCUT_PEOE_2":0.04522,"moe2D_BCUT_PEOE_3":2.326,"moe2D_BCUT_SLOGP_0":-2.548,"moe2D_BCUT_SLOGP_1":-0.05462,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.226,"moe2D_BCUT_SMR_0":-2.15,"moe2D_BCUT_SMR_1":0.08006,"moe2D_BCUT_SMR_2":0.1159,"moe2D_BCUT_SMR_3":2.608,"moe2D_GCUT_PEOE_0":-0.8601,"moe2D_GCUT_PEOE_1":-0.2444,"moe2D_GCUT_PEOE_2":-0.1148,"moe2D_GCUT_PEOE_3":1.753,"moe2D_GCUT_SLOGP_0":-0.9628,"moe2D_GCUT_SLOGP_1":-0.2366,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.675,"moe2D_GCUT_SMR_0":-0.4987,"moe2D_GCUT_SMR_1":-0.09222,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":1.992,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":3.528,"moe2D_KierA2":1.412,"moe2D_KierA3":2.066,"moe2D_KierFlex":0.9964,"moe2D_PEOE_PC.":0.6276,"moe2D_PEOE_PC..1":-0.6276,"moe2D_PEOE_RPC.":0.3346,"moe2D_PEOE_RPC..1":0.559,"moe2D_PEOE_VSA.0":72.07,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":23,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.6761,"moe2D_PEOE_VSA_FNEG":0.1202,"moe2D_PEOE_VSA_FPNEG":0.1202,"moe2D_PEOE_VSA_FPOL":0.3239,"moe2D_PEOE_VSA_FPOS":0.8798,"moe2D_PEOE_VSA_FPPOS":0.2037,"moe2D_PEOE_VSA_HYD":76.34,"moe2D_PEOE_VSA_NEG":13.57,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":36.56,"moe2D_PEOE_VSA_POS":99.33,"moe2D_PEOE_VSA_PPOS":23,"moe2D_Q_PC.":1.23,"moe2D_Q_PC..1":-1.23,"moe2D_Q_RPC.":0.4633,"moe2D_Q_RPC..1":0.5367,"moe2D_Q_VSA_FHYD":0.2645,"moe2D_Q_VSA_FNEG":0.1202,"moe2D_Q_VSA_FPNEG":0.1202,"moe2D_Q_VSA_FPOL":0.7355,"moe2D_Q_VSA_FPOS":0.8798,"moe2D_Q_VSA_FPPOS":0.6154,"moe2D_Q_VSA_HYD":29.86,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":83.04,"moe2D_Q_VSA_POS":99.33,"moe2D_Q_VSA_PPOS":69.47,"moe2D_SMR":1.975,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":3.124,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":85.51,"moe2D_SlogP":-0.2956,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":3.124,"moe2D_SlogP_VSA2":43.58,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":65.79,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":20.31,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":73.09,"moe2D_a_IC":18.61,"moe2D_a_ICM":1.551,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":2,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":1,"moe2D_a_nO":1,"moe2D_apol":11.85,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":11,"moe2D_b_double":1,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.613,"moe2D_bpol":10.59,"moe2D_chi0":4.284,"moe2D_chi0_C":2.707,"moe2D_chi0v":3.433,"moe2D_chi0v_C":2.577,"moe2D_chi1":2.27,"moe2D_chi1_C":0,"moe2D_chi1v":1.388,"moe2D_chi1v_C":0,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2582,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.2108,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1054,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6879,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.431,"moe2D_kS_dsCH":0.75,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.375,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":1.444,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.283,"moe2D_logS":0.4466,"moe2D_mr":2.052,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":112.9,"moe2D_vdw_vol":106.3,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":67.8,"moe2D_vsa_other":26.55,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"n-aminoethylpiperazine(aminoethylpiperazine)","moeGao_Abra_L":4.935,"moeGao_Abra_R":0.691,"moeGao_Abra_acidity":0.373,"moeGao_Abra_basicity":1.746,"moeGao_Abra_pi":0.938,"moe2D_BCUT_PEOE_0":-2.76,"moe2D_BCUT_PEOE_1":-0.2755,"moe2D_BCUT_PEOE_2":0.3004,"moe2D_BCUT_PEOE_3":2.65,"moe2D_BCUT_SLOGP_0":-2.929,"moe2D_BCUT_SLOGP_1":-0.2634,"moe2D_BCUT_SLOGP_2":0.3673,"moe2D_BCUT_SLOGP_3":2.507,"moe2D_BCUT_SMR_0":-2.473,"moe2D_BCUT_SMR_1":-0.1069,"moe2D_BCUT_SMR_2":0.3515,"moe2D_BCUT_SMR_3":2.927,"moe2D_GCUT_PEOE_0":-0.8541,"moe2D_GCUT_PEOE_1":-0.3365,"moe2D_GCUT_PEOE_2":0.01479,"moe2D_GCUT_PEOE_3":2.377,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.3586,"moe2D_GCUT_SLOGP_2":0.1,"moe2D_GCUT_SLOGP_3":2.278,"moe2D_GCUT_SMR_0":-0.514,"moe2D_GCUT_SMR_1":-0.1385,"moe2D_GCUT_SMR_2":0.02893,"moe2D_GCUT_SMR_3":2.614,"moe2D_Kier1":7.111,"moe2D_Kier2":3.92,"moe2D_Kier3":2.38,"moe2D_KierA1":7.111,"moe2D_KierA2":3.92,"moe2D_KierA3":2.38,"moe2D_KierFlex":3.097,"moe2D_PEOE_PC.":0.9411,"moe2D_PEOE_PC..1":-0.9411,"moe2D_PEOE_RPC.":0.1297,"moe2D_PEOE_RPC..1":0.3494,"moe2D_PEOE_VSA.0":130.3,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":25.86,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.788,"moe2D_PEOE_VSA_FHYD":0.9584,"moe2D_PEOE_VSA_FNEG":0.04165,"moe2D_PEOE_VSA_FPNEG":0.04165,"moe2D_PEOE_VSA_FPOL":0.04165,"moe2D_PEOE_VSA_FPOS":0.9584,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":156.2,"moe2D_PEOE_VSA_NEG":6.788,"moe2D_PEOE_VSA_PNEG":6.788,"moe2D_PEOE_VSA_POL":6.788,"moe2D_PEOE_VSA_POS":156.2,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":2.7,"moe2D_Q_PC..1":-2.7,"moe2D_Q_RPC.":0.1333,"moe2D_Q_RPC..1":0.3667,"moe2D_Q_VSA_FHYD":0.314,"moe2D_Q_VSA_FNEG":0.04165,"moe2D_Q_VSA_FPNEG":0.04165,"moe2D_Q_VSA_FPOL":0.686,"moe2D_Q_VSA_FPOS":0.9584,"moe2D_Q_VSA_FPPOS":0.6443,"moe2D_Q_VSA_HYD":51.18,"moe2D_Q_VSA_NEG":6.788,"moe2D_Q_VSA_PNEG":6.788,"moe2D_Q_VSA_POL":111.8,"moe2D_Q_VSA_POS":156.2,"moe2D_Q_VSA_PPOS":105,"moe2D_SMR":3.836,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":3.124,"moe2D_SMR_VSA2":18.01,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":110.6,"moe2D_SMR_VSA7":0,"moe2D_SlogP":-1.15,"moe2D_SlogP_VSA0":50.91,"moe2D_SlogP_VSA1":3.124,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":110.6,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":41.29,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.333,"moe2D_VDistMa":5.976,"moe2D_Weight":129.2,"moe2D_a_IC":31.17,"moe2D_a_ICM":1.299,"moe2D_a_acc":3,"moe2D_a_aro":0,"moe2D_a_count":24,"moe2D_a_don":2,"moe2D_a_heavy":9,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":15,"moe2D_a_nN":3,"moe2D_a_nO":0,"moe2D_apol":23.86,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.2222,"moe2D_b_ar":0,"moe2D_b_count":24,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":2,"moe2D_b_rotR":0.2222,"moe2D_b_single":24,"moe2D_b_triple":0,"moe2D_balabanJ":2.078,"moe2D_bpol":18.38,"moe2D_chi0":6.527,"moe2D_chi0_C":4.243,"moe2D_chi0v":5.767,"moe2D_chi0v_C":4.243,"moe2D_chi1":4.432,"moe2D_chi1_C":1.5,"moe2D_chi1v":3.564,"moe2D_chi1v_C":1.5,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1581,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.422,"moeGao_chi3p_C":0,"moeGao_chi3pv":1.655,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.884,"moeGao_chi4ca_C":0,"moeGao_chi4cav":1.117,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.433,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.3354,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6611,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.397,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":6.427,"moe2D_kS_ssNH":3.291,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":2.385,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-1.492,"moe2D_logS":0.9044,"moe2D_mr":3.689,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":163,"moe2D_vdw_vol":195.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":121.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":23.43,"moe2D_weinerPath":94,"moe2D_weinerPol":8,"moe2D_zagreb":38}
{"Molecule":"n-butylacetate-(butylacetate)","moeGao_Abra_L":3.358,"moeGao_Abra_R":0.306,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.424,"moeGao_Abra_pi":0.558,"moe2D_BCUT_PEOE_0":-2.57,"moe2D_BCUT_PEOE_1":-0.1458,"moe2D_BCUT_PEOE_2":0.04873,"moe2D_BCUT_PEOE_3":2.534,"moe2D_BCUT_SLOGP_0":-2.501,"moe2D_BCUT_SLOGP_1":-0.01881,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.639,"moe2D_BCUT_SMR_0":-2.334,"moe2D_BCUT_SMR_1":0.06678,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.769,"moe2D_GCUT_PEOE_0":-0.7853,"moe2D_GCUT_PEOE_1":-0.2938,"moe2D_GCUT_PEOE_2":-0.1113,"moe2D_GCUT_PEOE_3":2.091,"moe2D_GCUT_SLOGP_0":-0.8452,"moe2D_GCUT_SLOGP_1":-0.1889,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.16,"moe2D_GCUT_SMR_0":-0.5285,"moe2D_GCUT_SMR_1":-0.1053,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.298,"moe2D_Kier1":8,"moe2D_Kier2":5.143,"moe2D_Kier3":7.2,"moe2D_KierA1":7.054,"moe2D_KierA2":4.443,"moe2D_KierA3":6.108,"moe2D_KierFlex":3.917,"moe2D_PEOE_PC.":0.7288,"moe2D_PEOE_PC..1":-0.7288,"moe2D_PEOE_RPC.":0.3554,"moe2D_PEOE_RPC..1":0.4328,"moe2D_PEOE_VSA.0":61.4,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":27.45,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.7973,"moe2D_PEOE_VSA_FNEG":0.344,"moe2D_PEOE_VSA_FPNEG":0.1059,"moe2D_PEOE_VSA_FPOL":0.2027,"moe2D_PEOE_VSA_FPOS":0.656,"moe2D_PEOE_VSA_FPPOS":0.09689,"moe2D_PEOE_VSA_HYD":121,"moe2D_PEOE_VSA_NEG":52.22,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":99.59,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1,"moe2D_Q_PC..1":-1,"moe2D_Q_RPC.":0.659,"moe2D_Q_RPC..1":0.57,"moe2D_Q_VSA_FHYD":0.6988,"moe2D_Q_VSA_FNEG":0.1059,"moe2D_Q_VSA_FPNEG":0.1059,"moe2D_Q_VSA_FPOL":0.3012,"moe2D_Q_VSA_FPOS":0.8941,"moe2D_Q_VSA_FPPOS":0.1954,"moe2D_Q_VSA_HYD":106.1,"moe2D_Q_VSA_NEG":16.07,"moe2D_Q_VSA_PNEG":16.07,"moe2D_Q_VSA_POL":45.73,"moe2D_Q_VSA_POS":135.7,"moe2D_Q_VSA_PPOS":29.66,"moe2D_SMR":3.154,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":28.67,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":1.35,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":2.462,"moe2D_VDistMa":5.587,"moe2D_Weight":116.2,"moe2D_a_IC":25.91,"moe2D_a_ICM":1.295,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":20,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":20.17,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.4286,"moe2D_b_ar":0,"moe2D_b_count":19,"moe2D_b_double":1,"moe2D_b_heavy":7,"moe2D_b_rotN":4,"moe2D_b_rotR":0.5714,"moe2D_b_single":18,"moe2D_b_triple":0,"moe2D_balabanJ":2.737,"moe2D_bpol":15.99,"moe2D_chi0":6.406,"moe2D_chi0_C":4.699,"moe2D_chi0v":5.438,"moe2D_chi0v_C":4.621,"moe2D_chi1":3.77,"moe2D_chi1_C":2.284,"moe2D_chi1v":2.904,"moe2D_chi1v_C":2.207,"moeGao_chi2_C":0.8536,"moeGao_chi2v_C":0.8536,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.08333,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.385,"moeGao_chi3p_C":0.3536,"moeGao_chi3pv":0.8032,"moeGao_chi3pv_C":0.3536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.8026,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.3602,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.05893,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6741,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.1,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.182,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.485,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":2.624,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.643,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.582,"moe2D_logS":-1.05,"moe2D_mr":3.303,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":151.8,"moe2D_vdw_vol":172.3,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":112.5,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":79,"moe2D_weinerPol":5,"moe2D_zagreb":28}
{"Molecule":"n-butylamine","moeGao_Abra_L":2.729,"moeGao_Abra_R":0.229,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.559,"moeGao_Abra_pi":0.377,"moe2D_BCUT_PEOE_0":-2.597,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.1182,"moe2D_BCUT_PEOE_3":2.523,"moe2D_BCUT_SLOGP_0":-2.667,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.631,"moe2D_BCUT_SMR_0":-2.341,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.776,"moe2D_GCUT_PEOE_0":-0.8412,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04179,"moe2D_GCUT_PEOE_3":2.009,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.088,"moe2D_GCUT_SMR_0":-0.5276,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.226,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":4,"moe2D_KierA3":4,"moe2D_KierFlex":4,"moe2D_PEOE_PC.":0.4978,"moe2D_PEOE_PC..1":-0.4978,"moe2D_PEOE_RPC.":0.2375,"moe2D_PEOE_RPC..1":0.6629,"moe2D_PEOE_VSA.0":38.39,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":27.45,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9404,"moe2D_PEOE_VSA_FNEG":0.5016,"moe2D_PEOE_VSA_FPNEG":0.05959,"moe2D_PEOE_VSA_FPOL":0.05959,"moe2D_PEOE_VSA_FPOS":0.4984,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":105,"moe2D_PEOE_VSA_NEG":55.99,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":55.63,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.6678,"moe2D_Q_VSA_FNEG":0.05959,"moe2D_Q_VSA_FPNEG":0.05959,"moe2D_Q_VSA_FPOL":0.3322,"moe2D_Q_VSA_FPOS":0.9404,"moe2D_Q_VSA_FPPOS":0.2726,"moe2D_Q_VSA_HYD":74.54,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":105,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":2.396,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":0.7452,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":73.14,"moe2D_a_IC":17.95,"moe2D_a_ICM":1.122,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":15.47,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.191,"moe2D_bpol":11.37,"moe2D_chi0":4.121,"moe2D_chi0_C":3.121,"moe2D_chi0v":3.699,"moe2D_chi0v_C":3.121,"moe2D_chi1":2.414,"moe2D_chi1_C":1.707,"moe2D_chi1v":2.115,"moe2D_chi1v_C":1.707,"moeGao_chi2_C":0.8536,"moeGao_chi2v_C":0.8536,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0.3536,"moeGao_chi3pv":0.5577,"moeGao_chi3pv_C":0.3536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2041,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5792,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.132,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.139,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":3.229,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.771,"moe2D_logS":-0.3261,"moe2D_mr":2.378,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":111.6,"moe2D_vdw_vol":126.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":81.32,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"n-butyln-butyrate","moeGao_Abra_L":4.356,"moeGao_Abra_R":0.306,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.424,"moeGao_Abra_pi":0.558,"moe2D_BCUT_PEOE_0":-2.578,"moe2D_BCUT_PEOE_1":-0.1456,"moe2D_BCUT_PEOE_2":0.04992,"moe2D_BCUT_PEOE_3":2.552,"moe2D_BCUT_SLOGP_0":-2.516,"moe2D_BCUT_SLOGP_1":-0.0187,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.646,"moe2D_BCUT_SMR_0":-2.342,"moe2D_BCUT_SMR_1":0.0668,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.787,"moe2D_GCUT_PEOE_0":-0.786,"moe2D_GCUT_PEOE_1":-0.2937,"moe2D_GCUT_PEOE_2":-0.1101,"moe2D_GCUT_PEOE_3":2.225,"moe2D_GCUT_SLOGP_0":-0.8453,"moe2D_GCUT_SLOGP_1":-0.1888,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.293,"moe2D_GCUT_SMR_0":-0.5302,"moe2D_GCUT_SMR_1":-0.1053,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.433,"moe2D_Kier1":10,"moe2D_Kier2":7.111,"moe2D_Kier3":7,"moe2D_KierA1":9.064,"moe2D_KierA2":6.368,"moe2D_KierA3":6.207,"moe2D_KierFlex":5.772,"moe2D_PEOE_PC.":0.84,"moe2D_PEOE_PC..1":-0.84,"moe2D_PEOE_RPC.":0.3121,"moe2D_PEOE_RPC..1":0.3752,"moe2D_PEOE_VSA.0":68.42,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":46.2,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.8348,"moe2D_PEOE_VSA_FNEG":0.4277,"moe2D_PEOE_VSA_FPNEG":0.08627,"moe2D_PEOE_VSA_FPOL":0.1652,"moe2D_PEOE_VSA_FPOS":0.5723,"moe2D_PEOE_VSA_FPPOS":0.07896,"moe2D_PEOE_VSA_HYD":155.5,"moe2D_PEOE_VSA_NEG":79.67,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":106.6,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1,"moe2D_Q_PC..1":-1,"moe2D_Q_RPC.":0.659,"moe2D_Q_RPC..1":0.57,"moe2D_Q_VSA_FHYD":0.7545,"moe2D_Q_VSA_FNEG":0.08627,"moe2D_Q_VSA_FPNEG":0.08627,"moe2D_Q_VSA_FPOL":0.2455,"moe2D_Q_VSA_FPOS":0.9137,"moe2D_Q_VSA_FPPOS":0.1592,"moe2D_Q_VSA_HYD":140.5,"moe2D_Q_VSA_NEG":16.07,"moe2D_Q_VSA_PNEG":16.07,"moe2D_Q_VSA_POL":45.73,"moe2D_Q_VSA_POS":170.2,"moe2D_Q_VSA_PPOS":29.66,"moe2D_SMR":4.078,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":28.67,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.13,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.774,"moe2D_VDistMa":6.259,"moe2D_Weight":144.2,"moe2D_a_IC":32.21,"moe2D_a_ICM":1.239,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":26,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":16,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":26.35,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.5556,"moe2D_b_ar":0,"moe2D_b_count":25,"moe2D_b_double":1,"moe2D_b_heavy":9,"moe2D_b_rotN":6,"moe2D_b_rotR":0.6667,"moe2D_b_single":24,"moe2D_b_triple":0,"moe2D_balabanJ":2.984,"moe2D_bpol":20.37,"moe2D_chi0":7.82,"moe2D_chi0_C":6.113,"moe2D_chi0v":6.852,"moe2D_chi0v_C":6.036,"moe2D_chi1":4.808,"moe2D_chi1_C":3.322,"moe2D_chi1v":3.965,"moe2D_chi1v_C":3.268,"moeGao_chi2_C":1.642,"moeGao_chi2v_C":1.604,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.05893,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.082,"moeGao_chi3p_C":0.6422,"moeGao_chi3pv":1.215,"moeGao_chi3pv_C":0.6036,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.38,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.6066,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.08333,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6521,"moe2D_diameter":8,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.7,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.05931,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.05,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":4.096,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.884,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.499,"moe2D_logS":-1.767,"moe2D_mr":4.239,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":186.3,"moe2D_vdw_vol":221.2,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":144.1,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":150,"moe2D_weinerPol":8,"moe2D_zagreb":36}
{"Molecule":"n-butylphenylether(benzenebutoxy-)","moeGao_Abra_L":4.917,"moeGao_Abra_R":0.664,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.133,"moeGao_Abra_pi":0.553,"moe2D_BCUT_PEOE_0":-2.573,"moe2D_BCUT_PEOE_1":-0.6084,"moe2D_BCUT_PEOE_2":0.6226,"moe2D_BCUT_PEOE_3":2.527,"moe2D_BCUT_SLOGP_0":-2.504,"moe2D_BCUT_SLOGP_1":-0.5264,"moe2D_BCUT_SLOGP_2":0.7435,"moe2D_BCUT_SLOGP_3":2.638,"moe2D_BCUT_SMR_0":-2.332,"moe2D_BCUT_SMR_1":-0.435,"moe2D_BCUT_SMR_2":0.7897,"moe2D_BCUT_SMR_3":2.766,"moe2D_GCUT_PEOE_0":-0.7929,"moe2D_GCUT_PEOE_1":-0.3826,"moe2D_GCUT_PEOE_2":0.06098,"moe2D_GCUT_PEOE_3":2.204,"moe2D_GCUT_SLOGP_0":-0.8876,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1536,"moe2D_GCUT_SLOGP_3":2.341,"moe2D_GCUT_SMR_0":-0.5283,"moe2D_GCUT_SMR_1":-0.2084,"moe2D_GCUT_SMR_2":0.1684,"moe2D_GCUT_SMR_3":2.456,"moe2D_Kier1":9.091,"moe2D_Kier2":5.625,"moe2D_Kier3":3.787,"moe2D_KierA1":7.18,"moe2D_KierA2":4.326,"moe2D_KierA3":2.844,"moe2D_KierFlex":2.824,"moe2D_PEOE_PC.":0.7365,"moe2D_PEOE_PC..1":-0.7365,"moe2D_PEOE_RPC.":0.1034,"moe2D_PEOE_RPC..1":0.468,"moe2D_PEOE_VSA.0":29.86,"moe2D_PEOE_VSA.1":53.27,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":33.21,"moe2D_PEOE_VSA.1.1":64.21,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.9863,"moe2D_PEOE_VSA_FNEG":0.5459,"moe2D_PEOE_VSA_FPNEG":0.01368,"moe2D_PEOE_VSA_FPOL":0.01368,"moe2D_PEOE_VSA_FPOS":0.4541,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":180.6,"moe2D_PEOE_VSA_NEG":99.93,"moe2D_PEOE_VSA_PNEG":2.504,"moe2D_PEOE_VSA_POL":2.504,"moe2D_PEOE_VSA_POS":83.13,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.113,"moe2D_Q_PC..1":-1.113,"moe2D_Q_RPC.":0.2517,"moe2D_Q_RPC..1":0.3258,"moe2D_Q_VSA_FHYD":0.9046,"moe2D_Q_VSA_FNEG":0.3484,"moe2D_Q_VSA_FPNEG":0.01368,"moe2D_Q_VSA_FPOL":0.09535,"moe2D_Q_VSA_FPOS":0.6516,"moe2D_Q_VSA_FPPOS":0.08168,"moe2D_Q_VSA_HYD":165.6,"moe2D_Q_VSA_NEG":63.78,"moe2D_Q_VSA_PNEG":2.504,"moe2D_Q_VSA_POL":17.46,"moe2D_Q_VSA_POS":119.3,"moe2D_Q_VSA_PPOS":14.95,"moe2D_SMR":4.685,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":11,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.243,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":126,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":2.865,"moe2D_SlogP_VSA0":11,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":38.57,"moe2D_TPSA":9.23,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.766,"moe2D_VDistMa":6.542,"moe2D_Weight":150.2,"moe2D_a_IC":29.57,"moe2D_a_ICM":1.183,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":25,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":27.74,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.3636,"moe2D_b_ar":6,"moe2D_b_count":25,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":4,"moe2D_b_rotR":0.3636,"moe2D_b_single":19,"moe2D_b_triple":0,"moe2D_balabanJ":1.979,"moe2D_bpol":17.22,"moe2D_chi0":7.941,"moe2D_chi0_C":7.234,"moe2D_chi0v":6.916,"moe2D_chi0v_C":6.508,"moe2D_chi1":5.432,"moe2D_chi1_C":4.524,"moe2D_chi1v":4.111,"moe2D_chi1v_C":3.618,"moeGao_chi2_C":2.78,"moeGao_chi2v_C":1.931,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.06804,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.941,"moeGao_chi3p_C":1.67,"moeGao_chi3pv":1.51,"moeGao_chi3pv_C":0.9607,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.159,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":0.8511,"moeGao_chi4cav_C":0.3419,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.433,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1267,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6332,"moe2D_diameter":8,"moe2D_kS_aaCH":9.931,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.9731,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.161,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":3.155,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":5.446,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.259,"moe2D_logS":-2.479,"moe2D_mr":4.794,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":183.1,"moe2D_vdw_vol":237.2,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":170.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":2.504,"moe2D_weinerPath":182,"moe2D_weinerPol":10,"moe2D_zagreb":46}
{"Molecule":"n-decyclamine","moeGao_Abra_L":5.723,"moeGao_Abra_R":0.229,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.559,"moeGao_Abra_pi":0.377,"moe2D_BCUT_PEOE_0":-2.72,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.1182,"moe2D_BCUT_PEOE_3":2.648,"moe2D_BCUT_SLOGP_0":-2.676,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.814,"moe2D_BCUT_SMR_0":-2.465,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.903,"moe2D_GCUT_PEOE_0":-0.8415,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04179,"moe2D_GCUT_PEOE_3":2.476,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.612,"moe2D_GCUT_SMR_0":-0.5333,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.692,"moe2D_Kier1":11,"moe2D_Kier2":10,"moe2D_Kier3":10,"moe2D_KierA1":11,"moe2D_KierA2":10,"moe2D_KierA3":10,"moe2D_KierFlex":10,"moe2D_PEOE_PC.":0.8161,"moe2D_PEOE_PC..1":-0.8161,"moe2D_PEOE_RPC.":0.1448,"moe2D_PEOE_RPC..1":0.4043,"moe2D_PEOE_VSA.0":89.57,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":79.66,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9691,"moe2D_PEOE_VSA_FNEG":0.5032,"moe2D_PEOE_VSA_FPNEG":0.03093,"moe2D_PEOE_VSA_FPOL":0.03093,"moe2D_PEOE_VSA_FPOS":0.4968,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":208.4,"moe2D_PEOE_VSA_NEG":108.2,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":106.8,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8275,"moe2D_Q_VSA_FNEG":0.03093,"moe2D_Q_VSA_FPNEG":0.03093,"moe2D_Q_VSA_FPOL":0.1725,"moe2D_Q_VSA_FPOS":0.9691,"moe2D_Q_VSA_FPPOS":0.1415,"moe2D_Q_VSA_HYD":177.9,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":208.4,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":5.166,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":150.9,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":3.086,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":150.9,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.6468,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":3.104,"moe2D_VDistMa":6.508,"moe2D_Weight":157.3,"moe2D_a_IC":35.71,"moe2D_a_ICM":1.05,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":34,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":23,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":34.04,"moe2D_b_1rotN":8,"moe2D_b_1rotR":0.8,"moe2D_b_ar":0,"moe2D_b_count":33,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":8,"moe2D_b_rotR":0.8,"moe2D_b_single":33,"moe2D_b_triple":0,"moe2D_balabanJ":2.691,"moe2D_bpol":24.48,"moe2D_chi0":8.364,"moe2D_chi0_C":7.364,"moe2D_chi0v":7.941,"moe2D_chi0v_C":7.364,"moe2D_chi1":5.414,"moe2D_chi1_C":4.707,"moe2D_chi1v":5.115,"moe2D_chi1v_C":4.707,"moeGao_chi2_C":2.975,"moeGao_chi2v_C":2.975,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.207,"moeGao_chi3p_C":1.854,"moeGao_chi3pv":2.058,"moeGao_chi3pv_C":1.854,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.384,"moeGao_chi4ca_C":1.134,"moeGao_chi4cav":1.278,"moeGao_chi4cav_C":1.134,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5765,"moe2D_diameter":10,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.258,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.391,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":11.85,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.423,"moe2D_logS":-3.417,"moe2D_mr":5.152,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":8,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":215,"moe2D_vdw_vol":272.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":176.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":220,"moe2D_weinerPol":8,"moe2D_zagreb":38}
{"Molecule":"n-dodecylamine","moeGao_Abra_L":6.721,"moeGao_Abra_R":0.229,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.559,"moeGao_Abra_pi":0.377,"moe2D_BCUT_PEOE_0":-2.732,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.1182,"moe2D_BCUT_PEOE_3":2.66,"moe2D_BCUT_SLOGP_0":-2.676,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.83,"moe2D_BCUT_SMR_0":-2.477,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.916,"moe2D_GCUT_PEOE_0":-0.8415,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04179,"moe2D_GCUT_PEOE_3":2.557,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.698,"moe2D_GCUT_SMR_0":-0.5345,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.773,"moe2D_Kier1":13,"moe2D_Kier2":12,"moe2D_Kier3":12,"moe2D_KierA1":13,"moe2D_KierA2":12,"moe2D_KierA3":12,"moe2D_KierFlex":12,"moe2D_PEOE_PC.":0.9222,"moe2D_PEOE_PC..1":-0.9222,"moe2D_PEOE_RPC.":0.1282,"moe2D_PEOE_RPC..1":0.3578,"moe2D_PEOE_VSA.0":106.6,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":97.06,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9733,"moe2D_PEOE_VSA_FNEG":0.5035,"moe2D_PEOE_VSA_FPNEG":0.02666,"moe2D_PEOE_VSA_FPOL":0.02666,"moe2D_PEOE_VSA_FPOS":0.4965,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":242.8,"moe2D_PEOE_VSA_NEG":125.6,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":123.9,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8514,"moe2D_Q_VSA_FNEG":0.02666,"moe2D_Q_VSA_FPNEG":0.02666,"moe2D_Q_VSA_FPOL":0.1486,"moe2D_Q_VSA_FPOS":0.9733,"moe2D_Q_VSA_FPPOS":0.122,"moe2D_Q_VSA_HYD":212.4,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":242.8,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":6.09,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":188.7,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":3.866,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":188.7,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.5895,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":3.358,"moe2D_VDistMa":6.997,"moe2D_Weight":185.4,"moe2D_a_IC":41.48,"moe2D_a_ICM":1.037,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":40,"moe2D_a_don":1,"moe2D_a_heavy":13,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":27,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":40.22,"moe2D_b_1rotN":10,"moe2D_b_1rotR":0.8333,"moe2D_b_ar":0,"moe2D_b_count":39,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":10,"moe2D_b_rotR":0.8333,"moe2D_b_single":39,"moe2D_b_triple":0,"moe2D_balabanJ":2.758,"moe2D_bpol":28.86,"moe2D_chi0":9.778,"moe2D_chi0_C":8.778,"moe2D_chi0v":9.356,"moe2D_chi0v_C":8.778,"moe2D_chi1":6.414,"moe2D_chi1_C":5.707,"moe2D_chi1v":6.115,"moe2D_chi1v_C":5.707,"moeGao_chi2_C":3.682,"moeGao_chi2v_C":3.682,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.707,"moeGao_chi3p_C":2.354,"moeGao_chi3pv":2.558,"moeGao_chi3pv_C":2.354,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":1.487,"moeGao_chi4cav":1.632,"moeGao_chi4cav_C":1.487,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5761,"moe2D_diameter":12,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.271,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.424,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":14.81,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.307,"moe2D_logS":-4.448,"moe2D_mr":6.074,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":10,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":6,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":249.5,"moe2D_vdw_vol":321.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":207.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":364,"moe2D_weinerPol":10,"moe2D_zagreb":46}
{"Molecule":"n-ethyl-m-toluidine(n-ethyl-3-methylaniline)","moeGao_Abra_L":5.307,"moeGao_Abra_R":0.864,"moeGao_Abra_acidity":0.224,"moeGao_Abra_basicity":0.544,"moeGao_Abra_pi":0.84,"moe2D_BCUT_PEOE_0":-2.474,"moe2D_BCUT_PEOE_1":-0.3825,"moe2D_BCUT_PEOE_2":0.4492,"moe2D_BCUT_PEOE_3":2.38,"moe2D_BCUT_SLOGP_0":-2.497,"moe2D_BCUT_SLOGP_1":-0.2774,"moe2D_BCUT_SLOGP_2":0.5772,"moe2D_BCUT_SLOGP_3":2.452,"moe2D_BCUT_SMR_0":-2.181,"moe2D_BCUT_SMR_1":-0.2609,"moe2D_BCUT_SMR_2":0.5959,"moe2D_BCUT_SMR_3":2.679,"moe2D_GCUT_PEOE_0":-0.8314,"moe2D_GCUT_PEOE_1":-0.3136,"moe2D_GCUT_PEOE_2":0.00768,"moe2D_GCUT_PEOE_3":2.184,"moe2D_GCUT_SLOGP_0":-0.9812,"moe2D_GCUT_SLOGP_1":-0.1913,"moe2D_GCUT_SLOGP_2":0.1161,"moe2D_GCUT_SLOGP_3":2.327,"moe2D_GCUT_SMR_0":-0.5072,"moe2D_GCUT_SMR_1":-0.1509,"moe2D_GCUT_SMR_2":0.1153,"moe2D_GCUT_SMR_3":2.481,"moe2D_Kier1":8.1,"moe2D_Kier2":4,"moe2D_Kier3":2.651,"moe2D_KierA1":6.23,"moe2D_KierA2":2.976,"moe2D_KierA3":1.919,"moe2D_KierFlex":1.854,"moe2D_PEOE_PC.":0.6351,"moe2D_PEOE_PC..1":-0.6351,"moe2D_PEOE_RPC.":0.201,"moe2D_PEOE_RPC..1":0.454,"moe2D_PEOE_VSA.0":40.82,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":8.619,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":58.66,"moe2D_PEOE_VSA.1.1":43.26,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0.1369,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9992,"moe2D_PEOE_VSA_FNEG":0.6055,"moe2D_PEOE_VSA_FPNEG":0.00081,"moe2D_PEOE_VSA_FPOL":0.00081,"moe2D_PEOE_VSA_FPOS":0.3945,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":168.4,"moe2D_PEOE_VSA_NEG":102.1,"moe2D_PEOE_VSA_PNEG":0.1369,"moe2D_PEOE_VSA_POL":0.1369,"moe2D_PEOE_VSA_POS":66.5,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.613,"moe2D_Q_PC..1":-1.613,"moe2D_Q_RPC.":0.248,"moe2D_Q_RPC..1":0.5389,"moe2D_Q_VSA_FHYD":0.8698,"moe2D_Q_VSA_FNEG":0.3047,"moe2D_Q_VSA_FPNEG":0.00081,"moe2D_Q_VSA_FPOL":0.1302,"moe2D_Q_VSA_FPOS":0.6953,"moe2D_Q_VSA_FPPOS":0.1294,"moe2D_Q_VSA_HYD":146.6,"moe2D_Q_VSA_NEG":51.37,"moe2D_Q_VSA_PNEG":0.1369,"moe2D_Q_VSA_POL":21.95,"moe2D_Q_VSA_POS":117.2,"moe2D_Q_VSA_PPOS":21.81,"moe2D_SMR":4.534,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":20.77,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.427,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":18.01,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":69.41,"moe2D_TPSA":12.03,"moe2D_VAdjEq":0.7219,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":2.401,"moe2D_VDistMa":6.301,"moe2D_Weight":135.2,"moe2D_a_IC":27.41,"moe2D_a_ICM":1.192,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":23,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":13,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":25.61,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.2,"moe2D_b_ar":6,"moe2D_b_count":23,"moe2D_b_double":0,"moe2D_b_heavy":10,"moe2D_b_rotN":2,"moe2D_b_rotR":0.2,"moe2D_b_single":17,"moe2D_b_triple":0,"moe2D_balabanJ":2.224,"moe2D_bpol":14.87,"moe2D_chi0":7.397,"moe2D_chi0_C":6.69,"moe2D_chi0v":6.517,"moe2D_chi0v_C":6.017,"moe2D_chi1":4.826,"moe2D_chi1_C":3.917,"moe2D_chi1v":3.632,"moe2D_chi1v_C":3.028,"moeGao_chi2_C":2.56,"moeGao_chi2v_C":1.581,"moeGao_chi3c":0.4928,"moeGao_chi3c_C":0.2887,"moeGao_chi3cv":0.25,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":2.742,"moeGao_chi3p_C":1.674,"moeGao_chi3pv":1.399,"moeGao_chi3pv_C":0.8626,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.23,"moeGao_chi4ca_C":1.131,"moeGao_chi4cav":0.9591,"moeGao_chi4cav_C":0.4831,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.7773,"moeGao_chi4pc_C":0.3708,"moeGao_chi4pcv":0.3283,"moeGao_chi4pcv_C":0.1796,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.619,"moe2D_diameter":6,"moe2D_kS_aaCH":8.383,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.515,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.198,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.9895,"moe2D_kS_ssNH":3.248,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.229,"moe2D_logS":-1.982,"moe2D_mr":4.422,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":168.6,"moe2D_vdw_vol":218.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":5.683,"moe2D_vsa_hyd":151.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":124,"moe2D_weinerPol":10,"moe2D_zagreb":44}
{"Molecule":"n-heptylamine(n-heptanamine)","moeGao_Abra_L":4.226,"moeGao_Abra_R":0.229,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.559,"moeGao_Abra_pi":0.377,"moe2D_BCUT_PEOE_0":-2.685,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.1182,"moe2D_BCUT_PEOE_3":2.614,"moe2D_BCUT_SLOGP_0":-2.675,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.767,"moe2D_BCUT_SMR_0":-2.431,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.868,"moe2D_GCUT_PEOE_0":-0.8415,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04179,"moe2D_GCUT_PEOE_3":2.304,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.425,"moe2D_GCUT_SMR_0":-0.5316,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.521,"moe2D_Kier1":8,"moe2D_Kier2":7,"moe2D_Kier3":7.2,"moe2D_KierA1":8,"moe2D_KierA2":7,"moe2D_KierA3":7.2,"moe2D_KierFlex":7,"moe2D_PEOE_PC.":0.657,"moe2D_PEOE_PC..1":-0.657,"moe2D_PEOE_RPC.":0.1799,"moe2D_PEOE_RPC..1":0.5023,"moe2D_PEOE_VSA.0":63.98,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":53.55,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9593,"moe2D_PEOE_VSA_FNEG":0.5027,"moe2D_PEOE_VSA_FPNEG":0.04073,"moe2D_PEOE_VSA_FPOL":0.04073,"moe2D_PEOE_VSA_FPOS":0.4973,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":156.7,"moe2D_PEOE_VSA_NEG":82.1,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":81.22,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7729,"moe2D_Q_VSA_FNEG":0.04073,"moe2D_Q_VSA_FPNEG":0.04073,"moe2D_Q_VSA_FPOL":0.2271,"moe2D_Q_VSA_FPOS":0.9593,"moe2D_Q_VSA_FPPOS":0.1863,"moe2D_Q_VSA_HYD":126.2,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":156.7,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":3.781,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":94.34,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.916,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":94.34,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":2.61,"moe2D_VDistMa":5.568,"moe2D_Weight":115.2,"moe2D_a_IC":26.96,"moe2D_a_ICM":1.078,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":25,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":17,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":24.76,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.7143,"moe2D_b_ar":0,"moe2D_b_count":24,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":5,"moe2D_b_rotR":0.7143,"moe2D_b_single":24,"moe2D_b_triple":0,"moe2D_balabanJ":2.53,"moe2D_bpol":17.92,"moe2D_chi0":6.243,"moe2D_chi0_C":5.243,"moe2D_chi0v":5.82,"moe2D_chi0v_C":5.243,"moe2D_chi1":3.914,"moe2D_chi1_C":3.207,"moe2D_chi1v":3.615,"moe2D_chi1v_C":3.207,"moeGao_chi2_C":1.914,"moeGao_chi2v_C":1.914,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.457,"moeGao_chi3p_C":1.104,"moeGao_chi3pv":1.308,"moeGao_chi3pv_C":1.104,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.8536,"moeGao_chi4ca_C":0.6036,"moeGao_chi4cav":0.7479,"moeGao_chi4cav_C":0.6036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5773,"moe2D_diameter":7,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.225,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.311,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":7.465,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.097,"moe2D_logS":-1.872,"moe2D_mr":3.767,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":163.3,"moe2D_vdw_vol":199.6,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":128.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":84,"moe2D_weinerPol":5,"moe2D_zagreb":26}
{"Molecule":"n-hexanoic","moeGao_Abra_L":3.869,"moeGao_Abra_R":0.152,"moeGao_Abra_acidity":0.618,"moeGao_Abra_basicity":0.411,"moeGao_Abra_pi":0.508,"moe2D_BCUT_PEOE_0":-2.617,"moe2D_BCUT_PEOE_1":-0.3362,"moe2D_BCUT_PEOE_2":0.3105,"moe2D_BCUT_PEOE_3":2.581,"moe2D_BCUT_SLOGP_0":-2.48,"moe2D_BCUT_SLOGP_1":-0.2767,"moe2D_BCUT_SLOGP_2":0.3032,"moe2D_BCUT_SLOGP_3":2.724,"moe2D_BCUT_SMR_0":-2.375,"moe2D_BCUT_SMR_1":-0.1674,"moe2D_BCUT_SMR_2":0.4228,"moe2D_BCUT_SMR_3":2.821,"moe2D_GCUT_PEOE_0":-0.7957,"moe2D_GCUT_PEOE_1":-0.3349,"moe2D_GCUT_PEOE_2":0.01715,"moe2D_GCUT_PEOE_3":2.167,"moe2D_GCUT_SLOGP_0":-0.8725,"moe2D_GCUT_SLOGP_1":-0.2164,"moe2D_GCUT_SLOGP_2":0.01282,"moe2D_GCUT_SLOGP_3":2.277,"moe2D_GCUT_SMR_0":-0.5305,"moe2D_GCUT_SMR_1":-0.1734,"moe2D_GCUT_SMR_2":0.1176,"moe2D_GCUT_SMR_3":2.376,"moe2D_Kier1":8,"moe2D_Kier2":5.143,"moe2D_Kier3":7.2,"moe2D_KierA1":7.054,"moe2D_KierA2":4.443,"moe2D_KierA3":6.108,"moe2D_KierFlex":3.917,"moe2D_PEOE_PC.":0.8145,"moe2D_PEOE_PC..1":-0.8145,"moe2D_PEOE_RPC.":0.3187,"moe2D_PEOE_RPC..1":0.4067,"moe2D_PEOE_VSA.0":55.62,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":36.15,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.6842,"moe2D_PEOE_VSA_FNEG":0.4507,"moe2D_PEOE_VSA_FPNEG":0.1453,"moe2D_PEOE_VSA_FPOL":0.3158,"moe2D_PEOE_VSA_FPOS":0.5493,"moe2D_PEOE_VSA_FPPOS":0.1705,"moe2D_PEOE_VSA_HYD":100.5,"moe2D_PEOE_VSA_NEG":66.19,"moe2D_PEOE_VSA_PNEG":21.33,"moe2D_PEOE_VSA_POL":46.37,"moe2D_PEOE_VSA_POS":80.65,"moe2D_PEOE_VSA_PPOS":25.03,"moe2D_Q_PC.":1.22,"moe2D_Q_PC..1":-1.22,"moe2D_Q_RPC.":0.5402,"moe2D_Q_RPC..1":0.5328,"moe2D_Q_VSA_FHYD":0.6842,"moe2D_Q_VSA_FNEG":0.1453,"moe2D_Q_VSA_FPNEG":0.1453,"moe2D_Q_VSA_FPOL":0.3158,"moe2D_Q_VSA_FPOS":0.8547,"moe2D_Q_VSA_FPPOS":0.1705,"moe2D_Q_VSA_HYD":100.5,"moe2D_Q_VSA_NEG":21.33,"moe2D_Q_VSA_PNEG":21.33,"moe2D_Q_VSA_POL":46.37,"moe2D_Q_VSA_POS":125.5,"moe2D_Q_VSA_PPOS":25.03,"moe2D_SMR":3.178,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":25.39,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":7.745,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.651,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":25.39,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":37.3,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":2.462,"moe2D_VDistMa":5.587,"moe2D_Weight":116.2,"moe2D_a_IC":25.91,"moe2D_a_ICM":1.295,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":20,"moe2D_a_don":2,"moe2D_a_heavy":8,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":20.17,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.5714,"moe2D_b_ar":0,"moe2D_b_count":19,"moe2D_b_double":1,"moe2D_b_heavy":7,"moe2D_b_rotN":4,"moe2D_b_rotR":0.5714,"moe2D_b_single":18,"moe2D_b_triple":0,"moe2D_balabanJ":2.737,"moe2D_bpol":14.08,"moe2D_chi0":6.406,"moe2D_chi0_C":4.406,"moe2D_chi0v":5.184,"moe2D_chi0v_C":4.328,"moe2D_chi1":3.77,"moe2D_chi1_C":2.615,"moe2D_chi1v":2.988,"moe2D_chi1v_C":2.561,"moeGao_chi2_C":1.496,"moeGao_chi2v_C":1.457,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.06455,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.385,"moeGao_chi3p_C":0.8077,"moeGao_chi3pv":0.9942,"moeGao_chi3pv_C":0.7803,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.8026,"moeGao_chi4ca_C":0.3943,"moeGao_chi4cav":0.5262,"moeGao_chi4cav_C":0.375,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.04564,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6826,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.874,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.682,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.057,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.14,"moe2D_kS_ssCH2":3.277,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.722,"moe2D_logS":-1.341,"moe2D_mr":3.279,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":146.8,"moe2D_vdw_vol":170.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":92.64,"moe2D_vsa_other":14.71,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":79,"moe2D_weinerPol":5,"moe2D_zagreb":28}
{"Molecule":"n-hexylacetate(acetic","moeGao_Abra_L":4.356,"moeGao_Abra_R":0.306,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.424,"moeGao_Abra_pi":0.558,"moe2D_BCUT_PEOE_0":-2.652,"moe2D_BCUT_PEOE_1":-0.1458,"moe2D_BCUT_PEOE_2":0.04873,"moe2D_BCUT_PEOE_3":2.6,"moe2D_BCUT_SLOGP_0":-2.537,"moe2D_BCUT_SLOGP_1":-0.01881,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.741,"moe2D_BCUT_SMR_0":-2.407,"moe2D_BCUT_SMR_1":0.06678,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.844,"moe2D_GCUT_PEOE_0":-0.7982,"moe2D_GCUT_PEOE_1":-0.2931,"moe2D_GCUT_PEOE_2":-0.1113,"moe2D_GCUT_PEOE_3":2.275,"moe2D_GCUT_SLOGP_0":-0.8452,"moe2D_GCUT_SLOGP_1":-0.1882,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.379,"moe2D_GCUT_SMR_0":-0.5314,"moe2D_GCUT_SMR_1":-0.1053,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.485,"moe2D_Kier1":10,"moe2D_Kier2":7.111,"moe2D_Kier3":9.143,"moe2D_KierA1":9.064,"moe2D_KierA2":6.368,"moe2D_KierA3":8.107,"moe2D_KierFlex":5.772,"moe2D_PEOE_PC.":0.835,"moe2D_PEOE_PC..1":-0.835,"moe2D_PEOE_RPC.":0.3102,"moe2D_PEOE_RPC..1":0.3778,"moe2D_PEOE_VSA.0":78.46,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":44.85,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.8348,"moe2D_PEOE_VSA_FNEG":0.3738,"moe2D_PEOE_VSA_FPNEG":0.08627,"moe2D_PEOE_VSA_FPOL":0.1652,"moe2D_PEOE_VSA_FPOS":0.6262,"moe2D_PEOE_VSA_FPPOS":0.07896,"moe2D_PEOE_VSA_HYD":155.5,"moe2D_PEOE_VSA_NEG":69.62,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":116.7,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1,"moe2D_Q_PC..1":-1,"moe2D_Q_RPC.":0.659,"moe2D_Q_RPC..1":0.57,"moe2D_Q_VSA_FHYD":0.7545,"moe2D_Q_VSA_FNEG":0.08627,"moe2D_Q_VSA_FPNEG":0.08627,"moe2D_Q_VSA_FPOL":0.2455,"moe2D_Q_VSA_FPOS":0.9137,"moe2D_Q_VSA_FPPOS":0.1592,"moe2D_Q_VSA_HYD":140.5,"moe2D_Q_VSA_NEG":16.07,"moe2D_Q_VSA_PNEG":16.07,"moe2D_Q_VSA_POL":45.73,"moe2D_Q_VSA_POS":170.2,"moe2D_Q_VSA_PPOS":29.66,"moe2D_SMR":4.078,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":28.67,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.13,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.857,"moe2D_VDistMa":6.238,"moe2D_Weight":144.2,"moe2D_a_IC":32.21,"moe2D_a_ICM":1.239,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":26,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":16,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":26.35,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.5556,"moe2D_b_ar":0,"moe2D_b_count":25,"moe2D_b_double":1,"moe2D_b_heavy":9,"moe2D_b_rotN":6,"moe2D_b_rotR":0.6667,"moe2D_b_single":24,"moe2D_b_triple":0,"moe2D_balabanJ":2.782,"moe2D_bpol":20.37,"moe2D_chi0":7.82,"moe2D_chi0_C":6.113,"moe2D_chi0v":6.852,"moe2D_chi0v_C":6.036,"moe2D_chi1":4.77,"moe2D_chi1_C":3.284,"moe2D_chi1v":3.904,"moe2D_chi1v_C":3.207,"moeGao_chi2_C":1.561,"moeGao_chi2v_C":1.561,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.08333,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.885,"moeGao_chi3p_C":0.8536,"moeGao_chi3pv":1.303,"moeGao_chi3pv_C":0.8536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.156,"moeGao_chi4ca_C":0.4268,"moeGao_chi4cav":0.7447,"moeGao_chi4cav_C":0.4268,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.05893,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6521,"moe2D_diameter":8,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.25,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.1699,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.603,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":5.23,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.75,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.466,"moe2D_logS":-2.081,"moe2D_mr":4.234,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":186.3,"moe2D_vdw_vol":221.2,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":144.1,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":158,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"n-hexylamine(hexylamine)","moeGao_Abra_L":3.727,"moeGao_Abra_R":0.229,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.559,"moeGao_Abra_pi":0.377,"moe2D_BCUT_PEOE_0":-2.665,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.1182,"moe2D_BCUT_PEOE_3":2.594,"moe2D_BCUT_SLOGP_0":-2.674,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.738,"moe2D_BCUT_SMR_0":-2.411,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.848,"moe2D_GCUT_PEOE_0":-0.8414,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04179,"moe2D_GCUT_PEOE_3":2.225,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.336,"moe2D_GCUT_SMR_0":-0.5311,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.441,"moe2D_Kier1":7,"moe2D_Kier2":6,"moe2D_Kier3":6,"moe2D_KierA1":7,"moe2D_KierA2":6,"moe2D_KierA3":6,"moe2D_KierFlex":6,"moe2D_PEOE_PC.":0.6039,"moe2D_PEOE_PC..1":-0.6039,"moe2D_PEOE_RPC.":0.1957,"moe2D_PEOE_RPC..1":0.5464,"moe2D_PEOE_VSA.0":55.45,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":44.85,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9545,"moe2D_PEOE_VSA_FNEG":0.5024,"moe2D_PEOE_VSA_FPNEG":0.04553,"moe2D_PEOE_VSA_FPOL":0.04553,"moe2D_PEOE_VSA_FPOS":0.4976,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":139.4,"moe2D_PEOE_VSA_NEG":73.4,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":72.69,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7462,"moe2D_Q_VSA_FNEG":0.04553,"moe2D_Q_VSA_FPNEG":0.04553,"moe2D_Q_VSA_FPOL":0.2538,"moe2D_Q_VSA_FPOS":0.9545,"moe2D_Q_VSA_FPPOS":0.2083,"moe2D_Q_VSA_HYD":109,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":139.4,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":3.32,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":75.47,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.525,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":75.47,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":2.398,"moe2D_VDistMa":5.169,"moe2D_Weight":101.2,"moe2D_a_IC":23.99,"moe2D_a_ICM":1.091,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":22,"moe2D_a_don":1,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":15,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":21.66,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.6667,"moe2D_b_ar":0,"moe2D_b_count":21,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":4,"moe2D_b_rotR":0.6667,"moe2D_b_single":21,"moe2D_b_triple":0,"moe2D_balabanJ":2.447,"moe2D_bpol":15.74,"moe2D_chi0":5.536,"moe2D_chi0_C":4.536,"moe2D_chi0v":5.113,"moe2D_chi0v_C":4.536,"moe2D_chi1":3.414,"moe2D_chi1_C":2.707,"moe2D_chi1v":3.115,"moe2D_chi1v_C":2.707,"moeGao_chi2_C":1.561,"moeGao_chi2v_C":1.561,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.207,"moeGao_chi3p_C":0.8536,"moeGao_chi3pv":1.058,"moeGao_chi3pv_C":0.8536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6768,"moeGao_chi4ca_C":0.4268,"moeGao_chi4cav":0.5711,"moeGao_chi4cav_C":0.4268,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5778,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.205,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.269,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":6.026,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.655,"moe2D_logS":-1.357,"moe2D_mr":3.304,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":146.1,"moe2D_vdw_vol":175.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":112.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":56,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"n-methylaniline","moeGao_Abra_L":4.332,"moeGao_Abra_R":0.856,"moeGao_Abra_acidity":0.224,"moeGao_Abra_basicity":0.548,"moeGao_Abra_pi":0.864,"moe2D_BCUT_PEOE_0":-2.352,"moe2D_BCUT_PEOE_1":-0.5999,"moe2D_BCUT_PEOE_2":0.6585,"moe2D_BCUT_PEOE_3":2.23,"moe2D_BCUT_SLOGP_0":-2.391,"moe2D_BCUT_SLOGP_1":-0.4948,"moe2D_BCUT_SLOGP_2":0.7607,"moe2D_BCUT_SLOGP_3":2.351,"moe2D_BCUT_SMR_0":-2.018,"moe2D_BCUT_SMR_1":-0.4614,"moe2D_BCUT_SMR_2":0.804,"moe2D_BCUT_SMR_3":2.569,"moe2D_GCUT_PEOE_0":-0.8313,"moe2D_GCUT_PEOE_1":-0.3674,"moe2D_GCUT_PEOE_2":0.07359,"moe2D_GCUT_PEOE_3":1.99,"moe2D_GCUT_SLOGP_0":-0.9813,"moe2D_GCUT_SLOGP_1":-0.2463,"moe2D_GCUT_SLOGP_2":0.1567,"moe2D_GCUT_SLOGP_3":2.149,"moe2D_GCUT_SMR_0":-0.4716,"moe2D_GCUT_SMR_1":-0.2034,"moe2D_GCUT_SMR_2":0.1809,"moe2D_GCUT_SMR_3":2.302,"moe2D_Kier1":6.125,"moe2D_Kier2":3.111,"moe2D_Kier3":1.8,"moe2D_KierA1":4.365,"moe2D_KierA2":2.092,"moe2D_KierA3":1.15,"moe2D_KierFlex":1.142,"moe2D_PEOE_PC.":0.5723,"moe2D_PEOE_PC..1":-0.5723,"moe2D_PEOE_RPC.":0.2225,"moe2D_PEOE_RPC..1":0.5088,"moe2D_PEOE_VSA.0":19.5,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":8.619,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":47.75,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0.1369,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.999,"moe2D_PEOE_VSA_FNEG":0.6313,"moe2D_PEOE_VSA_FPNEG":0.00102,"moe2D_PEOE_VSA_FPOL":0.00102,"moe2D_PEOE_VSA_FPOS":0.3687,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":134,"moe2D_PEOE_VSA_NEG":84.65,"moe2D_PEOE_VSA_PNEG":0.1369,"moe2D_PEOE_VSA_POL":0.1369,"moe2D_PEOE_VSA_POS":49.44,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.619,"moe2D_Q_PC..1":-1.619,"moe2D_Q_RPC.":0.2471,"moe2D_Q_RPC..1":0.5368,"moe2D_Q_VSA_FHYD":0.7614,"moe2D_Q_VSA_FNEG":0.458,"moe2D_Q_VSA_FPNEG":0.00102,"moe2D_Q_VSA_FPOL":0.2386,"moe2D_Q_VSA_FPOS":0.542,"moe2D_Q_VSA_FPPOS":0.2376,"moe2D_Q_VSA_HYD":102.1,"moe2D_Q_VSA_NEG":61.41,"moe2D_Q_VSA_PNEG":0.1369,"moe2D_Q_VSA_POL":31.99,"moe2D_Q_VSA_POS":72.68,"moe2D_Q_VSA_PPOS":31.86,"moe2D_SMR":3.599,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":20.77,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":32.9,"moe2D_SlogP":1.728,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":18.01,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":32.9,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":2.757,"moe2D_TPSA":12.03,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.06,"moe2D_VDistMa":5.642,"moe2D_Weight":107.2,"moe2D_a_IC":21.31,"moe2D_a_ICM":1.253,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":17,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":9,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":19.42,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.125,"moe2D_b_ar":6,"moe2D_b_count":17,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":1,"moe2D_b_rotR":0.125,"moe2D_b_single":11,"moe2D_b_triple":0,"moe2D_balabanJ":2.189,"moe2D_bpol":10.5,"moe2D_chi0":5.82,"moe2D_chi0_C":5.113,"moe2D_chi0v":4.887,"moe2D_chi0v_C":4.387,"moe2D_chi1":3.932,"moe2D_chi1_C":2.816,"moe2D_chi1v":2.661,"moe2D_chi1v_C":1.911,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.077,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.08333,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.302,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":1.062,"moeGao_chi3pv_C":0.6071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.595,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":0.6048,"moeGao_chi4cav_C":0.3419,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.1796,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6319,"moe2D_diameter":5,"moe2D_kS_aaCH":10.07,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.16,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.912,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":3.027,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.553,"moe2D_logS":-1.181,"moe2D_mr":3.522,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":134.1,"moe2D_vdw_vol":169.6,"moe2D_vsa_acc":0,"moe2D_vsa_don":5.683,"moe2D_vsa_hyd":119.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":64,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"n-nonanoicacid(pelarganic","moeGao_Abra_L":5.366,"moeGao_Abra_R":0.152,"moeGao_Abra_acidity":0.618,"moeGao_Abra_basicity":0.411,"moeGao_Abra_pi":0.508,"moe2D_BCUT_PEOE_0":-2.692,"moe2D_BCUT_PEOE_1":-0.3362,"moe2D_BCUT_PEOE_2":0.3105,"moe2D_BCUT_PEOE_3":2.635,"moe2D_BCUT_SLOGP_0":-2.532,"moe2D_BCUT_SLOGP_1":-0.2767,"moe2D_BCUT_SLOGP_2":0.3032,"moe2D_BCUT_SLOGP_3":2.797,"moe2D_BCUT_SMR_0":-2.443,"moe2D_BCUT_SMR_1":-0.1674,"moe2D_BCUT_SMR_2":0.4228,"moe2D_BCUT_SMR_3":2.884,"moe2D_GCUT_PEOE_0":-0.8021,"moe2D_GCUT_PEOE_1":-0.3255,"moe2D_GCUT_PEOE_2":0.01714,"moe2D_GCUT_PEOE_3":2.392,"moe2D_GCUT_SLOGP_0":-0.8725,"moe2D_GCUT_SLOGP_1":-0.2037,"moe2D_GCUT_SLOGP_2":0.01282,"moe2D_GCUT_SLOGP_3":2.524,"moe2D_GCUT_SMR_0":-0.5318,"moe2D_GCUT_SMR_1":-0.1725,"moe2D_GCUT_SMR_2":0.1175,"moe2D_GCUT_SMR_3":2.604,"moe2D_Kier1":11,"moe2D_Kier2":8.1,"moe2D_Kier3":10,"moe2D_KierA1":10.07,"moe2D_KierA2":7.342,"moe2D_KierA3":8.986,"moe2D_KierFlex":6.72,"moe2D_PEOE_PC.":0.9737,"moe2D_PEOE_PC..1":-0.9737,"moe2D_PEOE_RPC.":0.2666,"moe2D_PEOE_RPC..1":0.3402,"moe2D_PEOE_VSA.0":81.21,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":62.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.7665,"moe2D_PEOE_VSA_FNEG":0.4649,"moe2D_PEOE_VSA_FPNEG":0.1075,"moe2D_PEOE_VSA_FPOL":0.2335,"moe2D_PEOE_VSA_FPOS":0.5351,"moe2D_PEOE_VSA_FPPOS":0.1261,"moe2D_PEOE_VSA_HYD":152.2,"moe2D_PEOE_VSA_NEG":92.29,"moe2D_PEOE_VSA_PNEG":21.33,"moe2D_PEOE_VSA_POL":46.37,"moe2D_PEOE_VSA_POS":106.2,"moe2D_PEOE_VSA_PPOS":25.03,"moe2D_Q_PC.":1.22,"moe2D_Q_PC..1":-1.22,"moe2D_Q_RPC.":0.5402,"moe2D_Q_RPC..1":0.5328,"moe2D_Q_VSA_FHYD":0.7665,"moe2D_Q_VSA_FNEG":0.1075,"moe2D_Q_VSA_FPNEG":0.1075,"moe2D_Q_VSA_FPOL":0.2335,"moe2D_Q_VSA_FPOS":0.8925,"moe2D_Q_VSA_FPPOS":0.1261,"moe2D_Q_VSA_HYD":152.2,"moe2D_Q_VSA_NEG":21.33,"moe2D_Q_VSA_PNEG":21.33,"moe2D_Q_VSA_POL":46.37,"moe2D_Q_VSA_POS":177.2,"moe2D_Q_VSA_PPOS":25.03,"moe2D_SMR":4.563,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":25.39,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":132.1,"moe2D_SMR_VSA6":7.745,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":2.822,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":25.39,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":132.1,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":37.3,"moe2D_VAdjEq":0.6468,"moe2D_VAdjMa":4.322,"moe2D_VDistEq":3.018,"moe2D_VDistMa":6.516,"moe2D_Weight":158.2,"moe2D_a_IC":35.29,"moe2D_a_ICM":1.217,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":29,"moe2D_a_don":2,"moe2D_a_heavy":11,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":18,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":29.45,"moe2D_b_1rotN":7,"moe2D_b_1rotR":0.7,"moe2D_b_ar":0,"moe2D_b_count":28,"moe2D_b_double":1,"moe2D_b_heavy":10,"moe2D_b_rotN":7,"moe2D_b_rotR":0.7,"moe2D_b_single":27,"moe2D_b_triple":0,"moe2D_balabanJ":2.803,"moe2D_bpol":20.64,"moe2D_chi0":8.527,"moe2D_chi0_C":6.527,"moe2D_chi0v":7.305,"moe2D_chi0v_C":6.45,"moe2D_chi1":5.27,"moe2D_chi1_C":4.115,"moe2D_chi1v":4.488,"moe2D_chi1v_C":4.061,"moeGao_chi2_C":2.556,"moeGao_chi2v_C":2.518,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.06455,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.135,"moeGao_chi3p_C":1.558,"moeGao_chi3pv":1.744,"moeGao_chi3pv_C":1.53,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.333,"moeGao_chi4ca_C":0.9247,"moeGao_chi4cav":1.057,"moeGao_chi4cav_C":0.9053,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.04564,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.65,"moe2D_diameter":9,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.09,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.6662,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.178,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.316,"moe2D_kS_ssCH2":7.251,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.048,"moe2D_logS":-2.887,"moe2D_mr":4.674,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":7,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":198.5,"moe2D_vdw_vol":243.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":140.1,"moe2D_vsa_other":14.71,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":212,"moe2D_weinerPol":8,"moe2D_zagreb":40}
{"Molecule":"n-nonylamine","moeGao_Abra_L":5.224,"moeGao_Abra_R":0.229,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.559,"moeGao_Abra_pi":0.377,"moe2D_BCUT_PEOE_0":-2.711,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.1182,"moe2D_BCUT_PEOE_3":2.64,"moe2D_BCUT_SLOGP_0":-2.676,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.802,"moe2D_BCUT_SMR_0":-2.457,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.895,"moe2D_GCUT_PEOE_0":-0.8415,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04179,"moe2D_GCUT_PEOE_3":2.427,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.559,"moe2D_GCUT_SMR_0":-0.5323,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.644,"moe2D_Kier1":10,"moe2D_Kier2":9,"moe2D_Kier3":9.143,"moe2D_KierA1":10,"moe2D_KierA2":9,"moe2D_KierA3":9.143,"moe2D_KierFlex":9,"moe2D_PEOE_PC.":0.7631,"moe2D_PEOE_PC..1":-0.7631,"moe2D_PEOE_RPC.":0.1549,"moe2D_PEOE_RPC..1":0.4324,"moe2D_PEOE_VSA.0":81.04,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":70.96,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9664,"moe2D_PEOE_VSA_FNEG":0.5031,"moe2D_PEOE_VSA_FPNEG":0.03363,"moe2D_PEOE_VSA_FPOL":0.03363,"moe2D_PEOE_VSA_FPOS":0.4969,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":191.1,"moe2D_PEOE_VSA_NEG":99.5,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":98.28,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8125,"moe2D_Q_VSA_FNEG":0.03363,"moe2D_Q_VSA_FPNEG":0.03363,"moe2D_Q_VSA_FPOL":0.1875,"moe2D_Q_VSA_FPOS":0.9664,"moe2D_Q_VSA_FPPOS":0.1539,"moe2D_Q_VSA_HYD":160.7,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":191.1,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":4.705,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":132.1,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":2.696,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":132.1,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.957,"moe2D_VDistMa":6.228,"moe2D_Weight":143.3,"moe2D_a_IC":32.81,"moe2D_a_ICM":1.058,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":31,"moe2D_a_don":1,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":21,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":30.94,"moe2D_b_1rotN":7,"moe2D_b_1rotR":0.7778,"moe2D_b_ar":0,"moe2D_b_count":30,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":7,"moe2D_b_rotR":0.7778,"moe2D_b_single":30,"moe2D_b_triple":0,"moe2D_balabanJ":2.648,"moe2D_bpol":22.3,"moe2D_chi0":7.657,"moe2D_chi0_C":6.657,"moe2D_chi0v":7.234,"moe2D_chi0v_C":6.657,"moe2D_chi1":4.914,"moe2D_chi1_C":4.207,"moe2D_chi1v":4.615,"moe2D_chi1v_C":4.207,"moeGao_chi2_C":2.621,"moeGao_chi2v_C":2.621,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.957,"moeGao_chi3p_C":1.604,"moeGao_chi3pv":1.808,"moeGao_chi3pv_C":1.604,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.207,"moeGao_chi4ca_C":0.9571,"moeGao_chi4cav":1.101,"moeGao_chi4cav_C":0.9571,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5767,"moe2D_diameter":9,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.25,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.369,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":10.38,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.981,"moe2D_logS":-2.902,"moe2D_mr":4.691,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":7,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":197.8,"moe2D_vdw_vol":248.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":160.4,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":165,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"n-octylamine(octylamine)","moeGao_Abra_L":4.725,"moeGao_Abra_R":0.229,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.559,"moeGao_Abra_pi":0.377,"moe2D_BCUT_PEOE_0":-2.7,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.1182,"moe2D_BCUT_PEOE_3":2.629,"moe2D_BCUT_SLOGP_0":-2.676,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.787,"moe2D_BCUT_SMR_0":-2.446,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.883,"moe2D_GCUT_PEOE_0":-0.8415,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04179,"moe2D_GCUT_PEOE_3":2.371,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.498,"moe2D_GCUT_SMR_0":-0.5319,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.587,"moe2D_Kier1":9,"moe2D_Kier2":8,"moe2D_Kier3":8,"moe2D_KierA1":9,"moe2D_KierA2":8,"moe2D_KierA3":8,"moe2D_KierFlex":8,"moe2D_PEOE_PC.":0.71,"moe2D_PEOE_PC..1":-0.71,"moe2D_PEOE_RPC.":0.1665,"moe2D_PEOE_RPC..1":0.4647,"moe2D_PEOE_VSA.0":72.51,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":62.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9632,"moe2D_PEOE_VSA_FNEG":0.5029,"moe2D_PEOE_VSA_FPNEG":0.03684,"moe2D_PEOE_VSA_FPOL":0.03684,"moe2D_PEOE_VSA_FPOS":0.4971,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":173.9,"moe2D_PEOE_VSA_NEG":90.8,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":89.75,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7946,"moe2D_Q_VSA_FNEG":0.03684,"moe2D_Q_VSA_FPNEG":0.03684,"moe2D_Q_VSA_FPOL":0.2054,"moe2D_Q_VSA_FPOS":0.9632,"moe2D_Q_VSA_FPPOS":0.1685,"moe2D_Q_VSA_HYD":143.5,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":173.9,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":4.243,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":113.2,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":2.306,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":113.2,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.794,"moe2D_VDistMa":5.917,"moe2D_Weight":129.2,"moe2D_a_IC":29.9,"moe2D_a_ICM":1.068,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":28,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":19,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":27.85,"moe2D_b_1rotN":6,"moe2D_b_1rotR":0.75,"moe2D_b_ar":0,"moe2D_b_count":27,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":6,"moe2D_b_rotR":0.75,"moe2D_b_single":27,"moe2D_b_triple":0,"moe2D_balabanJ":2.595,"moe2D_bpol":20.11,"moe2D_chi0":6.95,"moe2D_chi0_C":5.95,"moe2D_chi0v":6.527,"moe2D_chi0v_C":5.95,"moe2D_chi1":4.414,"moe2D_chi1_C":3.707,"moe2D_chi1v":4.115,"moe2D_chi1v_C":3.707,"moeGao_chi2_C":2.268,"moeGao_chi2v_C":2.268,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.707,"moeGao_chi3p_C":1.354,"moeGao_chi3pv":1.558,"moeGao_chi3pv_C":1.354,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.03,"moeGao_chi4ca_C":0.7803,"moeGao_chi4cav":0.9247,"moeGao_chi4cav_C":0.7803,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.577,"moe2D_diameter":8,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.239,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.343,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":8.918,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.539,"moe2D_logS":-2.387,"moe2D_mr":4.229,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":6,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":180.5,"moe2D_vdw_vol":224,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":144.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":120,"moe2D_weinerPol":6,"moe2D_zagreb":30}
{"Molecule":"n-octylcyanide(nonanenitrile)","moeGao_Abra_L":5.033,"moeGao_Abra_R":0.184,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.348,"moeGao_Abra_pi":0.93,"moe2D_BCUT_PEOE_0":-2.69,"moe2D_BCUT_PEOE_1":-0.1625,"moe2D_BCUT_PEOE_2":0.1639,"moe2D_BCUT_PEOE_3":2.628,"moe2D_BCUT_SLOGP_0":-2.52,"moe2D_BCUT_SLOGP_1":-0.05645,"moe2D_BCUT_SLOGP_2":0.2463,"moe2D_BCUT_SLOGP_3":2.797,"moe2D_BCUT_SMR_0":-2.44,"moe2D_BCUT_SMR_1":-0.00801,"moe2D_BCUT_SMR_2":0.2964,"moe2D_BCUT_SMR_3":2.878,"moe2D_GCUT_PEOE_0":-0.802,"moe2D_GCUT_PEOE_1":-0.2303,"moe2D_GCUT_PEOE_2":-0.04801,"moe2D_GCUT_PEOE_3":2.357,"moe2D_GCUT_SLOGP_0":-0.6196,"moe2D_GCUT_SLOGP_1":-0.1197,"moe2D_GCUT_SLOGP_2":0.03811,"moe2D_GCUT_SLOGP_3":2.505,"moe2D_GCUT_SMR_0":-0.5318,"moe2D_GCUT_SMR_1":-0.09555,"moe2D_GCUT_SMR_2":0.04599,"moe2D_GCUT_SMR_3":2.57,"moe2D_Kier1":10,"moe2D_Kier2":9,"moe2D_Kier3":9.143,"moe2D_KierA1":8.532,"moe2D_KierA2":7.528,"moe2D_KierA3":7.525,"moe2D_KierFlex":6.423,"moe2D_PEOE_PC.":0.5695,"moe2D_PEOE_PC..1":-0.5695,"moe2D_PEOE_RPC.":0.1098,"moe2D_PEOE_RPC..1":0.3451,"moe2D_PEOE_VSA.0":81.21,"moe2D_PEOE_VSA.1":20.3,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":62.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":17.74,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.4663,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.5337,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":190.2,"moe2D_PEOE_VSA_NEG":88.7,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":101.5,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.5571,"moe2D_Q_PC..1":-0.5571,"moe2D_Q_RPC.":0.641,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8,"moe2D_Q_VSA_FNEG":0.09328,"moe2D_Q_VSA_FPNEG":0.09328,"moe2D_Q_VSA_FPOL":0.2,"moe2D_Q_VSA_FPOS":0.9067,"moe2D_Q_VSA_FPPOS":0.1067,"moe2D_Q_VSA_HYD":152.2,"moe2D_Q_VSA_NEG":17.74,"moe2D_Q_VSA_PNEG":17.74,"moe2D_Q_VSA_POL":38.04,"moe2D_Q_VSA_POS":172.5,"moe2D_Q_VSA_PPOS":20.3,"moe2D_SMR":4.361,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":31.06,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":16.6,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":132.1,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":3.261,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":47.66,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":132.1,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":23.79,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.957,"moe2D_VDistMa":6.228,"moe2D_Weight":139.2,"moe2D_a_IC":30.37,"moe2D_a_ICM":1.125,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":27,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":17,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":28.28,"moe2D_b_1rotN":6,"moe2D_b_1rotR":0.6667,"moe2D_b_ar":0,"moe2D_b_count":26,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":7,"moe2D_b_rotR":0.7778,"moe2D_b_single":25,"moe2D_b_triple":1,"moe2D_balabanJ":2.654,"moe2D_bpol":19.24,"moe2D_chi0":7.657,"moe2D_chi0_C":6.657,"moe2D_chi0v":6.897,"moe2D_chi0v_C":6.45,"moe2D_chi1":4.914,"moe2D_chi1_C":4.207,"moe2D_chi1v":4.284,"moe2D_chi1v_C":4.061,"moeGao_chi2_C":2.621,"moeGao_chi2v_C":2.518,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.957,"moeGao_chi3p_C":1.604,"moeGao_chi3pv":1.642,"moeGao_chi3pv_C":1.53,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.207,"moeGao_chi4ca_C":0.9571,"moeGao_chi4cav":0.9844,"moeGao_chi4cav_C":0.9053,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5931,"moe2D_diameter":9,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.218,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":8.405,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":8.219,"moe2D_kS_tsC":2.159,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.031,"moe2D_logS":-3.268,"moe2D_mr":4.577,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":7,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":190.2,"moe2D_vdw_vol":234.8,"moe2D_vsa_acc":17.74,"moe2D_vsa_don":0,"moe2D_vsa_hyd":140.1,"moe2D_vsa_other":20.3,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":165,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"n-pentanoicacid","moeGao_Abra_L":3.37,"moeGao_Abra_R":0.152,"moeGao_Abra_acidity":0.618,"moeGao_Abra_basicity":0.411,"moeGao_Abra_pi":0.508,"moe2D_BCUT_PEOE_0":-2.565,"moe2D_BCUT_PEOE_1":-0.3363,"moe2D_BCUT_PEOE_2":0.3105,"moe2D_BCUT_PEOE_3":2.545,"moe2D_BCUT_SLOGP_0":-2.447,"moe2D_BCUT_SLOGP_1":-0.2768,"moe2D_BCUT_SLOGP_2":0.3032,"moe2D_BCUT_SLOGP_3":2.674,"moe2D_BCUT_SMR_0":-2.33,"moe2D_BCUT_SMR_1":-0.1674,"moe2D_BCUT_SMR_2":0.4228,"moe2D_BCUT_SMR_3":2.779,"moe2D_GCUT_PEOE_0":-0.788,"moe2D_GCUT_PEOE_1":-0.3409,"moe2D_GCUT_PEOE_2":0.0172,"moe2D_GCUT_PEOE_3":2.059,"moe2D_GCUT_SLOGP_0":-0.8725,"moe2D_GCUT_SLOGP_1":-0.2253,"moe2D_GCUT_SLOGP_2":0.01282,"moe2D_GCUT_SLOGP_3":2.154,"moe2D_GCUT_SMR_0":-0.5282,"moe2D_GCUT_SMR_1":-0.1739,"moe2D_GCUT_SMR_2":0.1177,"moe2D_GCUT_SMR_3":2.265,"moe2D_Kier1":7,"moe2D_Kier2":4.167,"moe2D_Kier3":6,"moe2D_KierA1":6.047,"moe2D_KierA2":3.498,"moe2D_KierA3":4.877,"moe2D_KierFlex":3.021,"moe2D_PEOE_PC.":0.7615,"moe2D_PEOE_PC..1":-0.7615,"moe2D_PEOE_RPC.":0.3409,"moe2D_PEOE_RPC..1":0.435,"moe2D_PEOE_VSA.0":47.09,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":27.45,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.6422,"moe2D_PEOE_VSA_FNEG":0.4435,"moe2D_PEOE_VSA_FPNEG":0.1646,"moe2D_PEOE_VSA_FPOL":0.3578,"moe2D_PEOE_VSA_FPOS":0.5565,"moe2D_PEOE_VSA_FPPOS":0.1931,"moe2D_PEOE_VSA_HYD":83.24,"moe2D_PEOE_VSA_NEG":57.48,"moe2D_PEOE_VSA_PNEG":21.33,"moe2D_PEOE_VSA_POL":46.37,"moe2D_PEOE_VSA_POS":72.12,"moe2D_PEOE_VSA_PPOS":25.03,"moe2D_Q_PC.":1.22,"moe2D_Q_PC..1":-1.22,"moe2D_Q_RPC.":0.5402,"moe2D_Q_RPC..1":0.5328,"moe2D_Q_VSA_FHYD":0.6422,"moe2D_Q_VSA_FNEG":0.1646,"moe2D_Q_VSA_FPNEG":0.1646,"moe2D_Q_VSA_FPOL":0.3578,"moe2D_Q_VSA_FPOS":0.8354,"moe2D_Q_VSA_FPPOS":0.1931,"moe2D_Q_VSA_HYD":83.24,"moe2D_Q_VSA_NEG":21.33,"moe2D_Q_VSA_PNEG":21.33,"moe2D_Q_VSA_POL":46.37,"moe2D_Q_VSA_POS":108.3,"moe2D_Q_VSA_PPOS":25.03,"moe2D_SMR":2.716,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":25.39,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":56.61,"moe2D_SMR_VSA6":7.745,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.261,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":23.86,"moe2D_SlogP_VSA3":25.39,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":56.61,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":37.3,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":2.213,"moe2D_VDistMa":5.196,"moe2D_Weight":102.1,"moe2D_a_IC":22.66,"moe2D_a_ICM":1.333,"moe2D_a_acc":2,"moe2D_a_aro":0,"moe2D_a_count":17,"moe2D_a_don":2,"moe2D_a_heavy":7,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":17.07,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":16,"moe2D_b_double":1,"moe2D_b_heavy":6,"moe2D_b_rotN":3,"moe2D_b_rotR":0.5,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.714,"moe2D_bpol":11.89,"moe2D_chi0":5.699,"moe2D_chi0_C":3.699,"moe2D_chi0v":4.477,"moe2D_chi0v_C":3.621,"moe2D_chi1":3.27,"moe2D_chi1_C":2.115,"moe2D_chi1v":2.488,"moe2D_chi1v_C":2.061,"moeGao_chi2_C":1.142,"moeGao_chi2v_C":1.104,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.06455,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.135,"moeGao_chi3p_C":0.5577,"moeGao_chi3pv":0.7442,"moeGao_chi3pv_C":0.5303,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6124,"moeGao_chi4ca_C":0.2041,"moeGao_chi4cav":0.328,"moeGao_chi4cav_C":0.1768,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.04564,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7008,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.758,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.6927,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.975,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.045,"moe2D_kS_ssCH2":2.081,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.28,"moe2D_logS":-0.8259,"moe2D_mr":2.812,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":129.6,"moe2D_vdw_vol":145.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":76.83,"moe2D_vsa_other":14.71,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":52,"moe2D_weinerPol":4,"moe2D_zagreb":24}
{"Molecule":"n-pentanol(1-pentanol)","moeGao_Abra_L":3.119,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.375,"moeGao_Abra_basicity":0.385,"moeGao_Abra_pi":0.449,"moe2D_BCUT_PEOE_0":-2.618,"moe2D_BCUT_PEOE_1":-0.2164,"moe2D_BCUT_PEOE_2":0.2865,"moe2D_BCUT_PEOE_3":2.564,"moe2D_BCUT_SLOGP_0":-2.519,"moe2D_BCUT_SLOGP_1":-0.1426,"moe2D_BCUT_SLOGP_2":0.2762,"moe2D_BCUT_SLOGP_3":2.698,"moe2D_BCUT_SMR_0":-2.376,"moe2D_BCUT_SMR_1":-0.1226,"moe2D_BCUT_SMR_2":0.3505,"moe2D_BCUT_SMR_3":2.806,"moe2D_GCUT_PEOE_0":-0.8026,"moe2D_GCUT_PEOE_1":-0.2277,"moe2D_GCUT_PEOE_2":-0.01766,"moe2D_GCUT_PEOE_3":2.1,"moe2D_GCUT_SLOGP_0":-0.8737,"moe2D_GCUT_SLOGP_1":-0.1296,"moe2D_GCUT_SLOGP_2":-0.02476,"moe2D_GCUT_SLOGP_3":2.209,"moe2D_GCUT_SMR_0":-0.5307,"moe2D_GCUT_SMR_1":-0.1231,"moe2D_GCUT_SMR_2":0.04374,"moe2D_GCUT_SMR_3":2.307,"moe2D_Kier1":6,"moe2D_Kier2":5,"moe2D_Kier3":5.333,"moe2D_KierA1":6,"moe2D_KierA2":5,"moe2D_KierA3":5.333,"moe2D_KierFlex":5,"moe2D_PEOE_PC.":0.5971,"moe2D_PEOE_PC..1":-0.5971,"moe2D_PEOE_RPC.":0.3507,"moe2D_PEOE_RPC..1":0.6616,"moe2D_PEOE_VSA.0":53.34,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":36.15,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8551,"moe2D_PEOE_VSA_FNEG":0.4216,"moe2D_PEOE_VSA_FPNEG":0.06223,"moe2D_PEOE_VSA_FPOL":0.1449,"moe2D_PEOE_VSA_FPOS":0.5784,"moe2D_PEOE_VSA_FPPOS":0.08272,"moe2D_PEOE_VSA_HYD":106.7,"moe2D_PEOE_VSA_NEG":52.62,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":72.19,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":0.68,"moe2D_Q_PC..1":-0.68,"moe2D_Q_RPC.":0.5882,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7353,"moe2D_Q_VSA_FNEG":0.06223,"moe2D_Q_VSA_FPNEG":0.06223,"moe2D_Q_VSA_FPOL":0.2647,"moe2D_Q_VSA_FPOS":0.9378,"moe2D_Q_VSA_FPPOS":0.2025,"moe2D_Q_VSA_HYD":91.77,"moe2D_Q_VSA_NEG":7.768,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":117,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":2.661,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":56.61,"moe2D_SMR_VSA6":20.93,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.169,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":56.61,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":2.149,"moe2D_VDistMa":4.704,"moe2D_Weight":88.15,"moe2D_a_IC":20.43,"moe2D_a_ICM":1.135,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":18,"moe2D_a_don":1,"moe2D_a_heavy":6,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":17.6,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.6,"moe2D_b_ar":0,"moe2D_b_count":17,"moe2D_b_double":0,"moe2D_b_heavy":5,"moe2D_b_rotN":3,"moe2D_b_rotR":0.6,"moe2D_b_single":17,"moe2D_b_triple":0,"moe2D_balabanJ":2.339,"moe2D_bpol":13.12,"moe2D_chi0":4.828,"moe2D_chi0_C":3.828,"moe2D_chi0v":4.276,"moe2D_chi0v_C":3.828,"moe2D_chi1":2.914,"moe2D_chi1_C":2.207,"moe2D_chi1v":2.523,"moe2D_chi1v_C":2.207,"moeGao_chi2_C":1.207,"moeGao_chi2v_C":1.207,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.9571,"moeGao_chi3p_C":0.6036,"moeGao_chi3pv":0.7617,"moeGao_chi3pv_C":0.6036,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.5,"moeGao_chi4ca_C":0.25,"moeGao_chi4cav":0.3618,"moeGao_chi4cav_C":0.25,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6098,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.121,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.197,"moe2D_kS_ssCH2":3.682,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.435,"moe2D_logS":-0.9474,"moe2D_mr":2.727,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":124.8,"moe2D_vdw_vol":144.6,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":98.89,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":35,"moe2D_weinerPol":3,"moe2D_zagreb":18}
{"Molecule":"n-pentylamine-(n-amilamine)","moeGao_Abra_L":2.729,"moeGao_Abra_R":0.229,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.559,"moeGao_Abra_pi":0.377,"moe2D_BCUT_PEOE_0":-2.597,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.1182,"moe2D_BCUT_PEOE_3":2.523,"moe2D_BCUT_SLOGP_0":-2.667,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.631,"moe2D_BCUT_SMR_0":-2.341,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.776,"moe2D_GCUT_PEOE_0":-0.8412,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04179,"moe2D_GCUT_PEOE_3":2.009,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.088,"moe2D_GCUT_SMR_0":-0.5276,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.226,"moe2D_Kier1":5,"moe2D_Kier2":4,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":4,"moe2D_KierA3":4,"moe2D_KierFlex":4,"moe2D_PEOE_PC.":0.4978,"moe2D_PEOE_PC..1":-0.4978,"moe2D_PEOE_RPC.":0.2375,"moe2D_PEOE_RPC..1":0.6629,"moe2D_PEOE_VSA.0":38.39,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":27.45,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9404,"moe2D_PEOE_VSA_FNEG":0.5016,"moe2D_PEOE_VSA_FPNEG":0.05959,"moe2D_PEOE_VSA_FPOL":0.05959,"moe2D_PEOE_VSA_FPOS":0.4984,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":105,"moe2D_PEOE_VSA_NEG":55.99,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":55.63,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.6678,"moe2D_Q_VSA_FNEG":0.05959,"moe2D_Q_VSA_FPNEG":0.05959,"moe2D_Q_VSA_FPOL":0.3322,"moe2D_Q_VSA_FPOS":0.9404,"moe2D_Q_VSA_FPPOS":0.2726,"moe2D_Q_VSA_HYD":74.54,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":105,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":2.396,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":0.7452,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.846,"moe2D_VDistMa":4.146,"moe2D_Weight":73.14,"moe2D_a_IC":17.95,"moe2D_a_ICM":1.122,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":15.47,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.5,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":2,"moe2D_b_rotR":0.5,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.191,"moe2D_bpol":11.37,"moe2D_chi0":4.121,"moe2D_chi0_C":3.121,"moe2D_chi0v":3.699,"moe2D_chi0v_C":3.121,"moe2D_chi1":2.414,"moe2D_chi1_C":1.707,"moe2D_chi1v":2.115,"moe2D_chi1v_C":1.707,"moeGao_chi2_C":0.8536,"moeGao_chi2v_C":0.8536,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.7071,"moeGao_chi3p_C":0.3536,"moeGao_chi3pv":0.5577,"moeGao_chi3pv_C":0.3536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.3536,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2041,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5792,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.132,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.139,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":3.229,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.771,"moe2D_logS":-0.3261,"moe2D_mr":2.378,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":111.6,"moe2D_vdw_vol":126.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":81.32,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":20,"moe2D_weinerPol":2,"moe2D_zagreb":14}
{"Molecule":"n-pentylbenzene(amylbenzene)","moeGao_Abra_L":5.416,"moeGao_Abra_R":0.664,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.133,"moeGao_Abra_pi":0.553,"moe2D_BCUT_PEOE_0":-2.631,"moe2D_BCUT_PEOE_1":-0.5606,"moe2D_BCUT_PEOE_2":0.619,"moe2D_BCUT_PEOE_3":2.566,"moe2D_BCUT_SLOGP_0":-2.484,"moe2D_BCUT_SLOGP_1":-0.4568,"moe2D_BCUT_SLOGP_2":0.7202,"moe2D_BCUT_SLOGP_3":2.719,"moe2D_BCUT_SMR_0":-2.379,"moe2D_BCUT_SMR_1":-0.4265,"moe2D_BCUT_SMR_2":0.7596,"moe2D_BCUT_SMR_3":2.823,"moe2D_GCUT_PEOE_0":-0.7983,"moe2D_GCUT_PEOE_1":-0.3553,"moe2D_GCUT_PEOE_2":0.06555,"moe2D_GCUT_PEOE_3":2.332,"moe2D_GCUT_SLOGP_0":-0.6923,"moe2D_GCUT_SLOGP_1":-0.2357,"moe2D_GCUT_SLOGP_2":0.147,"moe2D_GCUT_SLOGP_3":2.476,"moe2D_GCUT_SMR_0":-0.5309,"moe2D_GCUT_SMR_1":-0.1921,"moe2D_GCUT_SMR_2":0.1693,"moe2D_GCUT_SMR_3":2.586,"moe2D_Kier1":9.091,"moe2D_Kier2":5.625,"moe2D_Kier3":3.787,"moe2D_KierA1":7.18,"moe2D_KierA2":4.326,"moe2D_KierA3":2.844,"moe2D_KierFlex":2.824,"moe2D_PEOE_PC.":0.6002,"moe2D_PEOE_PC..1":-0.6002,"moe2D_PEOE_RPC.":0.1033,"moe2D_PEOE_RPC..1":0.1088,"moe2D_PEOE_VSA.0":46.92,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":19.61,"moe2D_PEOE_VSA.1.1":97.42,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6317,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3683,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":185.3,"moe2D_PEOE_VSA_NEG":117,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":68.25,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.8935,"moe2D_Q_PC..1":-0.8935,"moe2D_Q_RPC.":0.1679,"moe2D_Q_RPC..1":0.1679,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.3426,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.6574,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":185.3,"moe2D_Q_VSA_NEG":63.48,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":121.8,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.967,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":163.7,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":3.419,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":18.87,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":56.61,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":0,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.766,"moe2D_VDistMa":6.542,"moe2D_Weight":148.2,"moe2D_a_IC":26.33,"moe2D_a_ICM":0.9751,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":27,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":11,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":16,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":30.03,"moe2D_b_1rotN":4,"moe2D_b_1rotR":0.3636,"moe2D_b_ar":6,"moe2D_b_count":27,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":4,"moe2D_b_rotR":0.3636,"moe2D_b_single":21,"moe2D_b_triple":0,"moe2D_balabanJ":1.979,"moe2D_bpol":17.49,"moe2D_chi0":7.941,"moe2D_chi0_C":7.941,"moe2D_chi0v":7.215,"moe2D_chi0v_C":7.215,"moe2D_chi1":5.432,"moe2D_chi1_C":5.432,"moe2D_chi1v":4.471,"moe2D_chi1v_C":4.471,"moeGao_chi2_C":4,"moeGao_chi2v_C":2.943,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.1179,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":2.941,"moeGao_chi3p_C":2.941,"moeGao_chi3pv":1.912,"moeGao_chi3pv_C":1.912,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.159,"moeGao_chi4ca_C":2.159,"moeGao_chi4cav":1.224,"moeGao_chi4cav_C":1.224,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.433,"moeGao_chi4pc_C":0.433,"moeGao_chi4pcv":0.2194,"moeGao_chi4pcv_C":0.2194,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5906,"moe2D_diameter":8,"moe2D_kS_aaCH":10.71,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.473,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.241,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":5.247,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.86,"moe2D_logS":-3.92,"moe2D_mr":5.036,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":4,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":185.3,"moe2D_vdw_vol":251,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":173.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":182,"moe2D_weinerPol":10,"moe2D_zagreb":46}
{"Molecule":"n-phenyldiethanolamine(ethanol22'-(phenyllimino)bis-)","moeGao_Abra_L":7.164,"moeGao_Abra_R":1.294,"moeGao_Abra_acidity":0.542,"moeGao_Abra_basicity":1.061,"moeGao_Abra_pi":1.283,"moe2D_BCUT_PEOE_0":-2.593,"moe2D_BCUT_PEOE_1":-0.6462,"moe2D_BCUT_PEOE_2":0.7001,"moe2D_BCUT_PEOE_3":2.527,"moe2D_BCUT_SLOGP_0":-2.722,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.5873,"moe2D_BCUT_SLOGP_3":2.455,"moe2D_BCUT_SMR_0":-2.309,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.805,"moe2D_GCUT_PEOE_0":-0.828,"moe2D_GCUT_PEOE_1":-0.3859,"moe2D_GCUT_PEOE_2":0.08088,"moe2D_GCUT_PEOE_3":2.352,"moe2D_GCUT_SLOGP_0":-0.9919,"moe2D_GCUT_SLOGP_1":-0.3793,"moe2D_GCUT_SLOGP_2":0.07705,"moe2D_GCUT_SLOGP_3":2.399,"moe2D_GCUT_SMR_0":-0.5132,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.626,"moe2D_Kier1":11.08,"moe2D_Kier2":6.453,"moe2D_Kier3":3.704,"moe2D_KierA1":8.706,"moe2D_KierA2":4.96,"moe2D_KierA3":2.793,"moe2D_KierFlex":3.322,"moe2D_PEOE_PC.":1.327,"moe2D_PEOE_PC..1":-1.327,"moe2D_PEOE_RPC.":0.1579,"moe2D_PEOE_RPC..1":0.2967,"moe2D_PEOE_VSA.0":50.15,"moe2D_PEOE_VSA.1":68.29,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":20.65,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":15.54,"moe2D_PEOE_VSA_FHYD":0.8324,"moe2D_PEOE_VSA_FNEG":0.3558,"moe2D_PEOE_VSA_FPNEG":0.07196,"moe2D_PEOE_VSA_FPOL":0.1676,"moe2D_PEOE_VSA_FPOS":0.6442,"moe2D_PEOE_VSA_FPPOS":0.09564,"moe2D_PEOE_VSA_HYD":179.7,"moe2D_PEOE_VSA_NEG":76.81,"moe2D_PEOE_VSA_PNEG":15.54,"moe2D_PEOE_VSA_POL":36.18,"moe2D_PEOE_VSA_POS":139.1,"moe2D_PEOE_VSA_PPOS":20.65,"moe2D_Q_PC.":2.948,"moe2D_Q_PC..1":-2.948,"moe2D_Q_RPC.":0.1357,"moe2D_Q_RPC..1":0.2843,"moe2D_Q_VSA_FHYD":0.5717,"moe2D_Q_VSA_FNEG":0.3558,"moe2D_Q_VSA_FPNEG":0.07196,"moe2D_Q_VSA_FPOL":0.4283,"moe2D_Q_VSA_FPOS":0.6442,"moe2D_Q_VSA_FPPOS":0.3564,"moe2D_Q_VSA_HYD":123.4,"moe2D_Q_VSA_NEG":76.81,"moe2D_Q_VSA_PNEG":15.54,"moe2D_Q_VSA_POL":92.47,"moe2D_Q_VSA_POS":139.1,"moe2D_Q_VSA_PPOS":76.94,"moe2D_SMR":5.283,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":50.77,"moe2D_SMR_VSA2":3.124,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":78.73,"moe2D_SMR_VSA7":0,"moe2D_SlogP":0.4776,"moe2D_SlogP_VSA0":53.89,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":78.73,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":2.757,"moe2D_TPSA":43.7,"moe2D_VAdjEq":0.6194,"moe2D_VAdjMa":4.7,"moe2D_VDistEq":2.654,"moe2D_VDistMa":7.097,"moe2D_Weight":181.2,"moe2D_a_IC":40.78,"moe2D_a_ICM":1.457,"moe2D_a_acc":2,"moe2D_a_aro":6,"moe2D_a_count":28,"moe2D_a_don":2,"moe2D_a_heavy":13,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":15,"moe2D_a_nN":1,"moe2D_a_nO":2,"moe2D_apol":30.31,"moe2D_b_1rotN":5,"moe2D_b_1rotR":0.3846,"moe2D_b_ar":6,"moe2D_b_count":28,"moe2D_b_double":0,"moe2D_b_heavy":13,"moe2D_b_rotN":5,"moe2D_b_rotR":0.3846,"moe2D_b_single":22,"moe2D_b_triple":0,"moe2D_balabanJ":2.333,"moe2D_bpol":18.38,"moe2D_chi0":9.519,"moe2D_chi0_C":6.941,"moe2D_chi0v":7.557,"moe2D_chi0v_C":6.215,"moe2D_chi1":6.381,"moe2D_chi1_C":3.816,"moe2D_chi1v":4.399,"moe2D_chi1v_C":2.911,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.077,"moeGao_chi3c":0.3333,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1863,"moeGao_chi3cv_C":0,"moeGao_chi3p":3.635,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":1.861,"moeGao_chi3pv_C":0.6071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.963,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":1.25,"moeGao_chi4cav_C":0.3419,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.9428,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.4787,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.693,"moe2D_diameter":7,"moe2D_kS_aaCH":9.754,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.033,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":17.6,"moe2D_kS_ssCH2":1.332,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":1.944,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":2,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.433,"moe2D_logS":-0.9072,"moe2D_mr":5.272,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":5,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":215.9,"moe2D_vdw_vol":261.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":170.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":260,"moe2D_weinerPol":15,"moe2D_zagreb":56}
{"Molecule":"n-propylacetate","moeGao_Abra_L":2.859,"moeGao_Abra_R":0.306,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.424,"moeGao_Abra_pi":0.558,"moe2D_BCUT_PEOE_0":-2.496,"moe2D_BCUT_PEOE_1":-0.1458,"moe2D_BCUT_PEOE_2":0.04872,"moe2D_BCUT_PEOE_3":2.474,"moe2D_BCUT_SLOGP_0":-2.466,"moe2D_BCUT_SLOGP_1":-0.01881,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.54,"moe2D_BCUT_SMR_0":-2.266,"moe2D_BCUT_SMR_1":0.06678,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.702,"moe2D_GCUT_PEOE_0":-0.7734,"moe2D_GCUT_PEOE_1":-0.2951,"moe2D_GCUT_PEOE_2":-0.1113,"moe2D_GCUT_PEOE_3":1.968,"moe2D_GCUT_SLOGP_0":-0.8451,"moe2D_GCUT_SLOGP_1":-0.1896,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.008,"moe2D_GCUT_SMR_0":-0.5235,"moe2D_GCUT_SMR_1":-0.1054,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.174,"moe2D_Kier1":7,"moe2D_Kier2":4.167,"moe2D_Kier3":6,"moe2D_KierA1":6.047,"moe2D_KierA2":3.498,"moe2D_KierA3":4.877,"moe2D_KierFlex":3.021,"moe2D_PEOE_PC.":0.6756,"moe2D_PEOE_PC..1":-0.6756,"moe2D_PEOE_RPC.":0.3834,"moe2D_PEOE_RPC..1":0.4669,"moe2D_PEOE_VSA.0":52.87,"moe2D_PEOE_VSA.1":23.48,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.7713,"moe2D_PEOE_VSA_FNEG":0.3234,"moe2D_PEOE_VSA_FPNEG":0.1194,"moe2D_PEOE_VSA_FPOL":0.2287,"moe2D_PEOE_VSA_FPOS":0.6766,"moe2D_PEOE_VSA_FPPOS":0.1093,"moe2D_PEOE_VSA_HYD":103.8,"moe2D_PEOE_VSA_NEG":43.52,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":91.06,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1,"moe2D_Q_PC..1":-1,"moe2D_Q_RPC.":0.659,"moe2D_Q_RPC..1":0.57,"moe2D_Q_VSA_FHYD":0.6602,"moe2D_Q_VSA_FNEG":0.1194,"moe2D_Q_VSA_FPNEG":0.1194,"moe2D_Q_VSA_FPOL":0.3398,"moe2D_Q_VSA_FPOS":0.8806,"moe2D_Q_VSA_FPPOS":0.2204,"moe2D_Q_VSA_HYD":88.85,"moe2D_Q_VSA_NEG":16.07,"moe2D_Q_VSA_PNEG":16.07,"moe2D_Q_VSA_POL":45.73,"moe2D_Q_VSA_POS":118.5,"moe2D_Q_VSA_PPOS":29.66,"moe2D_SMR":2.692,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":28.67,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.9595,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":20.93,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":2.213,"moe2D_VDistMa":5.196,"moe2D_Weight":102.1,"moe2D_a_IC":22.66,"moe2D_a_ICM":1.333,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":17,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":17.07,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":16,"moe2D_b_double":1,"moe2D_b_heavy":6,"moe2D_b_rotN":3,"moe2D_b_rotR":0.5,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.714,"moe2D_bpol":13.81,"moe2D_chi0":5.699,"moe2D_chi0_C":3.992,"moe2D_chi0v":4.731,"moe2D_chi0v_C":3.914,"moe2D_chi1":3.27,"moe2D_chi1_C":1.784,"moe2D_chi1v":2.404,"moe2D_chi1v_C":1.707,"moeGao_chi2_C":0.5,"moeGao_chi2v_C":0.5,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.08333,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.135,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.5094,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.6124,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2458,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.2887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.05893,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6906,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.98,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.1927,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":3.374,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.453,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.552,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.14,"moe2D_logS":-0.535,"moe2D_mr":2.836,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":134.6,"moe2D_vdw_vol":147.9,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":96.68,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":52,"moe2D_weinerPol":4,"moe2D_zagreb":24}
{"Molecule":"n-propylamine-(1-aminopropane)","moeGao_Abra_L":2.23,"moeGao_Abra_R":0.229,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.559,"moeGao_Abra_pi":0.377,"moe2D_BCUT_PEOE_0":-2.535,"moe2D_BCUT_PEOE_1":0.02302,"moe2D_BCUT_PEOE_2":0.1182,"moe2D_BCUT_PEOE_3":2.455,"moe2D_BCUT_SLOGP_0":-2.655,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.522,"moe2D_BCUT_SMR_0":-2.277,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.709,"moe2D_GCUT_PEOE_0":-0.8414,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04179,"moe2D_GCUT_PEOE_3":1.855,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":1.904,"moe2D_GCUT_SMR_0":-0.5228,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.072,"moe2D_Kier1":4,"moe2D_Kier2":3,"moe2D_Kier3":4,"moe2D_KierA1":4,"moe2D_KierA2":3,"moe2D_KierA3":4,"moe2D_KierFlex":3,"moe2D_PEOE_PC.":0.4448,"moe2D_PEOE_PC..1":-0.4448,"moe2D_PEOE_RPC.":0.2658,"moe2D_PEOE_RPC..1":0.7419,"moe2D_PEOE_VSA.0":29.86,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9295,"moe2D_PEOE_VSA_FNEG":0.501,"moe2D_PEOE_VSA_FPNEG":0.07047,"moe2D_PEOE_VSA_FPOL":0.07047,"moe2D_PEOE_VSA_FPOS":0.499,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":87.74,"moe2D_PEOE_VSA_NEG":47.29,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":47.1,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.6071,"moe2D_Q_VSA_FNEG":0.07047,"moe2D_Q_VSA_FPNEG":0.07047,"moe2D_Q_VSA_FPOL":0.3929,"moe2D_Q_VSA_FPOS":0.9295,"moe2D_Q_VSA_FPPOS":0.3224,"moe2D_Q_VSA_HYD":57.31,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":87.74,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":1.935,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":0.3551,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1.459,"moe2D_VDistMa":3.446,"moe2D_Weight":59.11,"moe2D_a_IC":14.82,"moe2D_a_ICM":1.14,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":4,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":9,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":12.38,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.3333,"moe2D_b_ar":0,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":3,"moe2D_b_rotN":1,"moe2D_b_rotR":0.3333,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":1.975,"moe2D_bpol":9.179,"moe2D_chi0":3.414,"moe2D_chi0_C":2.414,"moe2D_chi0v":2.992,"moe2D_chi0v_C":2.414,"moe2D_chi1":1.914,"moe2D_chi1_C":1.207,"moe2D_chi1v":1.615,"moe2D_chi1v_C":1.207,"moeGao_chi2_C":0.5,"moeGao_chi2v_C":0.5,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.2887,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5804,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.056,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.028,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.917,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.329,"moe2D_logS":0.1891,"moe2D_mr":1.913,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":94.39,"moe2D_vdw_vol":101.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":65.52,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":10,"moe2D_weinerPol":1,"moe2D_zagreb":10}
{"Molecule":"n-tridecylamine(1-tridecanamine)","moeGao_Abra_L":7.22,"moeGao_Abra_R":0.229,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.559,"moeGao_Abra_pi":0.377,"moe2D_BCUT_PEOE_0":-2.736,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.1182,"moe2D_BCUT_PEOE_3":2.665,"moe2D_BCUT_SLOGP_0":-2.676,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.835,"moe2D_BCUT_SMR_0":-2.482,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.92,"moe2D_GCUT_PEOE_0":-0.8415,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04179,"moe2D_GCUT_PEOE_3":2.591,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.734,"moe2D_GCUT_SMR_0":-0.5348,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.806,"moe2D_Kier1":14,"moe2D_Kier2":13,"moe2D_Kier3":13.09,"moe2D_KierA1":14,"moe2D_KierA2":13,"moe2D_KierA3":13.09,"moe2D_KierFlex":13,"moe2D_PEOE_PC.":0.9753,"moe2D_PEOE_PC..1":-0.9753,"moe2D_PEOE_RPC.":0.1212,"moe2D_PEOE_RPC..1":0.3383,"moe2D_PEOE_VSA.0":115.2,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":105.8,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9751,"moe2D_PEOE_VSA_FNEG":0.5036,"moe2D_PEOE_VSA_FPNEG":0.02494,"moe2D_PEOE_VSA_FPOL":0.02494,"moe2D_PEOE_VSA_FPOS":0.4964,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":260.1,"moe2D_PEOE_VSA_NEG":134.3,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":132.4,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.861,"moe2D_Q_VSA_FNEG":0.02494,"moe2D_Q_VSA_FPNEG":0.02494,"moe2D_Q_VSA_FPOL":0.139,"moe2D_Q_VSA_FPOS":0.9751,"moe2D_Q_VSA_FPPOS":0.1141,"moe2D_Q_VSA_HYD":229.6,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":260.1,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":6.552,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":207.6,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":4.256,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":207.6,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.5647,"moe2D_VAdjMa":4.7,"moe2D_VDistEq":3.47,"moe2D_VDistMa":7.214,"moe2D_Weight":199.4,"moe2D_a_IC":44.34,"moe2D_a_ICM":1.031,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":43,"moe2D_a_don":1,"moe2D_a_heavy":14,"moe2D_a_hyd":13,"moe2D_a_nBr":0,"moe2D_a_nC":13,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":29,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":43.32,"moe2D_b_1rotN":11,"moe2D_b_1rotR":0.8462,"moe2D_b_ar":0,"moe2D_b_count":42,"moe2D_b_double":0,"moe2D_b_heavy":13,"moe2D_b_rotN":11,"moe2D_b_rotR":0.8462,"moe2D_b_single":42,"moe2D_b_triple":0,"moe2D_balabanJ":2.785,"moe2D_bpol":31.04,"moe2D_chi0":10.49,"moe2D_chi0_C":9.485,"moe2D_chi0v":10.06,"moe2D_chi0v_C":9.485,"moe2D_chi1":6.914,"moe2D_chi1_C":6.207,"moe2D_chi1v":6.615,"moe2D_chi1v_C":6.207,"moeGao_chi2_C":4.036,"moeGao_chi2v_C":4.036,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.957,"moeGao_chi3p_C":2.604,"moeGao_chi3pv":2.808,"moeGao_chi3pv_C":2.604,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.914,"moeGao_chi4ca_C":1.664,"moeGao_chi4cav":1.809,"moeGao_chi4cav_C":1.664,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.576,"moe2D_diameter":13,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.275,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.437,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":16.29,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.749,"moe2D_logS":-4.963,"moe2D_mr":6.535,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":11,"moe2D_opr_violation":1,"moe2D_petitjean":0.4615,"moe2D_petitjeanSC":0.8571,"moe2D_radius":7,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":266.7,"moe2D_vdw_vol":346.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":223.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":455,"moe2D_weinerPol":11,"moe2D_zagreb":50}
{"Molecule":"n-undecyclamine(1-undecanamine)","moeGao_Abra_L":6.222,"moeGao_Abra_R":0.229,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.559,"moeGao_Abra_pi":0.377,"moe2D_BCUT_PEOE_0":-2.726,"moe2D_BCUT_PEOE_1":0.02298,"moe2D_BCUT_PEOE_2":0.1182,"moe2D_BCUT_PEOE_3":2.655,"moe2D_BCUT_SLOGP_0":-2.676,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.823,"moe2D_BCUT_SMR_0":-2.472,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.91,"moe2D_GCUT_PEOE_0":-0.8415,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04179,"moe2D_GCUT_PEOE_3":2.519,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.658,"moe2D_GCUT_SMR_0":-0.534,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.735,"moe2D_Kier1":12,"moe2D_Kier2":11,"moe2D_Kier3":11.11,"moe2D_KierA1":12,"moe2D_KierA2":11,"moe2D_KierA3":11.11,"moe2D_KierFlex":11,"moe2D_PEOE_PC.":0.8692,"moe2D_PEOE_PC..1":-0.8692,"moe2D_PEOE_RPC.":0.136,"moe2D_PEOE_RPC..1":0.3796,"moe2D_PEOE_VSA.0":98.1,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":21.89,"moe2D_PEOE_VSA.1.1":88.36,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9714,"moe2D_PEOE_VSA_FNEG":0.5034,"moe2D_PEOE_VSA_FPNEG":0.02864,"moe2D_PEOE_VSA_FPOL":0.02864,"moe2D_PEOE_VSA_FPOS":0.4966,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":225.6,"moe2D_PEOE_VSA_NEG":116.9,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":115.3,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8403,"moe2D_Q_VSA_FNEG":0.02864,"moe2D_Q_VSA_FPNEG":0.02864,"moe2D_Q_VSA_FPOL":0.1597,"moe2D_Q_VSA_FPOS":0.9714,"moe2D_Q_VSA_FPPOS":0.131,"moe2D_Q_VSA_HYD":195.2,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":37.08,"moe2D_Q_VSA_POS":225.6,"moe2D_Q_VSA_PPOS":30.43,"moe2D_SMR":5.628,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":169.8,"moe2D_SMR_VSA6":18.44,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":3.476,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":18.44,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":169.8,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.6167,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":3.236,"moe2D_VDistMa":6.763,"moe2D_Weight":171.3,"moe2D_a_IC":38.6,"moe2D_a_ICM":1.043,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":37,"moe2D_a_don":1,"moe2D_a_heavy":12,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":11,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":25,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":37.13,"moe2D_b_1rotN":9,"moe2D_b_1rotR":0.8182,"moe2D_b_ar":0,"moe2D_b_count":36,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":9,"moe2D_b_rotR":0.8182,"moe2D_b_single":36,"moe2D_b_triple":0,"moe2D_balabanJ":2.727,"moe2D_bpol":26.67,"moe2D_chi0":9.071,"moe2D_chi0_C":8.071,"moe2D_chi0v":8.648,"moe2D_chi0v_C":8.071,"moe2D_chi1":5.914,"moe2D_chi1_C":5.207,"moe2D_chi1v":5.615,"moe2D_chi1v_C":5.207,"moeGao_chi2_C":3.328,"moeGao_chi2v_C":3.328,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.457,"moeGao_chi3p_C":2.104,"moeGao_chi3pv":2.308,"moeGao_chi3pv_C":2.104,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.561,"moeGao_chi4ca_C":1.311,"moeGao_chi4cav":1.455,"moeGao_chi4cav_C":1.311,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5763,"moe2D_diameter":11,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.265,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.409,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":13.33,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.865,"moe2D_logS":-3.933,"moe2D_mr":5.613,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":9,"moe2D_opr_violation":0,"moe2D_petitjean":0.4545,"moe2D_petitjeanSC":0.8333,"moe2D_radius":6,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":232.2,"moe2D_vdw_vol":297.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":192,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":286,"moe2D_weinerPol":9,"moe2D_zagreb":42}
{"Molecule":"naphthalene","moeGao_Abra_L":5.37,"moeGao_Abra_R":1.392,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.197,"moeGao_Abra_pi":0.919,"moe2D_BCUT_PEOE_0":-2.21,"moe2D_BCUT_PEOE_1":-0.6234,"moe2D_BCUT_PEOE_2":0.6749,"moe2D_BCUT_PEOE_3":2.146,"moe2D_BCUT_SLOGP_0":-1.993,"moe2D_BCUT_SLOGP_1":-0.5123,"moe2D_BCUT_SLOGP_2":0.7839,"moe2D_BCUT_SLOGP_3":2.368,"moe2D_BCUT_SMR_0":-1.854,"moe2D_BCUT_SMR_1":-0.4761,"moe2D_BCUT_SMR_2":0.8313,"moe2D_BCUT_SMR_3":2.513,"moe2D_GCUT_PEOE_0":-0.7515,"moe2D_GCUT_PEOE_1":-0.3804,"moe2D_GCUT_PEOE_2":0.08134,"moe2D_GCUT_PEOE_3":2.121,"moe2D_GCUT_SLOGP_0":-0.5448,"moe2D_GCUT_SLOGP_1":-0.2503,"moe2D_GCUT_SLOGP_2":0.1665,"moe2D_GCUT_SLOGP_3":2.328,"moe2D_GCUT_SMR_0":-0.4028,"moe2D_GCUT_SMR_1":-0.2021,"moe2D_GCUT_SMR_2":0.195,"moe2D_GCUT_SMR_3":2.461,"moe2D_Kier1":6.694,"moe2D_Kier2":2.939,"moe2D_Kier3":1.383,"moe2D_KierA1":4.263,"moe2D_KierA2":1.764,"moe2D_KierA3":0.7897,"moe2D_KierFlex":0.7518,"moe2D_PEOE_PC.":0.4966,"moe2D_PEOE_PC..1":-0.4966,"moe2D_PEOE_RPC.":0.1256,"moe2D_PEOE_RPC..1":0.1232,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":34.12,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":4.417,"moe2D_PEOE_VSA.1.1":98.04,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7502,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2498,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":136.6,"moe2D_PEOE_VSA_NEG":102.5,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":34.12,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.2,"moe2D_Q_PC..1":-1.2,"moe2D_Q_RPC.":0.125,"moe2D_Q_RPC..1":0.125,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.7178,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.2822,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":136.6,"moe2D_Q_VSA_NEG":98.04,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":38.54,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":4.395,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":5.146,"moe2D_SMR_VSA5":141.1,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":2.84,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":146.3,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":0,"moe2D_VAdjEq":0.7602,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.117,"moe2D_VDistMa":6.334,"moe2D_Weight":128.2,"moe2D_a_IC":17.84,"moe2D_a_ICM":0.9911,"moe2D_a_acc":0,"moe2D_a_aro":10,"moe2D_a_count":18,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":22.93,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":11,"moe2D_b_count":19,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":1.973,"moe2D_bpol":8.746,"moe2D_chi0":6.812,"moe2D_chi0_C":6.812,"moe2D_chi0v":5.619,"moe2D_chi0v_C":5.619,"moe2D_chi1":4.966,"moe2D_chi1_C":4.966,"moe2D_chi1v":3.405,"moe2D_chi1v_C":3.405,"moeGao_chi2_C":4.089,"moeGao_chi2v_C":2.347,"moeGao_chi3c":0.3333,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.1667,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":3.466,"moeGao_chi3p_C":3.466,"moeGao_chi3pv":1.659,"moeGao_chi3pv_C":1.659,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.858,"moeGao_chi4ca_C":2.858,"moeGao_chi4cav":1.133,"moeGao_chi4cav_C":1.133,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.9428,"moeGao_chi4pc_C":0.9428,"moeGao_chi4pcv":0.3849,"moeGao_chi4pcv_C":0.3849,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.638,"moe2D_diameter":5,"moe2D_kS_aaCH":16.71,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":2.62,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.128,"moe2D_logS":-3.263,"moe2D_mr":4.342,"moe2D_opr_brigid":11,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":136.6,"moe2D_vdw_vol":200.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":130.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":109,"moe2D_weinerPol":12,"moe2D_zagreb":50}
{"Molecule":"nonylphenol","moeGao_Abra_L":3.771,"moeGao_Abra_R":0.829,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.433,"moeGao_Abra_pi":0.875,"moe2D_BCUT_PEOE_0":-2.159,"moe2D_BCUT_PEOE_1":-0.6438,"moe2D_BCUT_PEOE_2":0.7022,"moe2D_BCUT_PEOE_3":2.102,"moe2D_BCUT_SLOGP_0":-1.964,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.325,"moe2D_BCUT_SMR_0":-1.838,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.425,"moe2D_GCUT_PEOE_0":-0.7654,"moe2D_GCUT_PEOE_1":-0.3827,"moe2D_GCUT_PEOE_2":0.08214,"moe2D_GCUT_PEOE_3":1.847,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.047,"moe2D_GCUT_SMR_0":-0.4292,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.146,"moe2D_Kier1":5.143,"moe2D_Kier2":2.344,"moe2D_Kier3":1.5,"moe2D_KierA1":3.459,"moe2D_KierA2":1.452,"moe2D_KierA3":0.8457,"moe2D_KierFlex":0.7177,"moe2D_PEOE_PC.":0.604,"moe2D_PEOE_PC..1":-0.604,"moe2D_PEOE_RPC.":0.3598,"moe2D_PEOE_RPC..1":0.5958,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":29.79,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8343,"moe2D_PEOE_VSA_FNEG":0.6325,"moe2D_PEOE_VSA_FPNEG":0.07116,"moe2D_PEOE_VSA_FPOL":0.1657,"moe2D_PEOE_VSA_FPOS":0.3675,"moe2D_PEOE_VSA_FPPOS":0.09459,"moe2D_PEOE_VSA_HYD":91.06,"moe2D_PEOE_VSA_NEG":69.04,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":40.11,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.282,"moe2D_Q_PC..1":-1.282,"moe2D_Q_RPC.":0.3509,"moe2D_Q_RPC..1":0.4152,"moe2D_Q_VSA_FHYD":0.8343,"moe2D_Q_VSA_FNEG":0.6325,"moe2D_Q_VSA_FPNEG":0.07116,"moe2D_Q_VSA_FPOL":0.1657,"moe2D_Q_VSA_FPOS":0.3675,"moe2D_Q_VSA_FPPOS":0.09459,"moe2D_Q_VSA_HYD":91.06,"moe2D_Q_VSA_NEG":69.04,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":40.11,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":2.811,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.243,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.392,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":5.243,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8631,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.761,"moe2D_VDistMa":5.255,"moe2D_Weight":94.11,"moe2D_a_IC":17.09,"moe2D_a_ICM":1.314,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":15.36,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.215,"moe2D_bpol":6.559,"moe2D_chi0":5.113,"moe2D_chi0_C":4.113,"moe2D_chi0v":3.834,"moe2D_chi0v_C":3.387,"moe2D_chi1":3.394,"moe2D_chi1_C":2.816,"moe2D_chi1v":2.134,"moe2D_chi1v_C":1.911,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.077,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.07454,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.894,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":0.7562,"moeGao_chi3pv_C":0.6071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.307,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":0.428,"moeGao_chi4cav_C":0.3419,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.08607,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.685,"moe2D_diameter":4,"moe2D_kS_aaCH":8.713,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.3218,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.632,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.598,"moe2D_logS":-1.023,"moe2D_mr":2.905,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":109.2,"moe2D_vdw_vol":137.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":87.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":42,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"o-chloroaniline","moeGao_Abra_L":4.791,"moeGao_Abra_R":1.066,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.421,"moeGao_Abra_pi":1.101,"moe2D_BCUT_PEOE_0":-2.206,"moe2D_BCUT_PEOE_1":-0.6138,"moe2D_BCUT_PEOE_2":0.6518,"moe2D_BCUT_PEOE_3":2.137,"moe2D_BCUT_SLOGP_0":-2.32,"moe2D_BCUT_SLOGP_1":-0.4335,"moe2D_BCUT_SLOGP_2":0.8401,"moe2D_BCUT_SLOGP_3":2.342,"moe2D_BCUT_SMR_0":-1.853,"moe2D_BCUT_SMR_1":-0.4107,"moe2D_BCUT_SMR_2":0.8712,"moe2D_BCUT_SMR_3":2.491,"moe2D_GCUT_PEOE_0":-0.8066,"moe2D_GCUT_PEOE_1":-0.3778,"moe2D_GCUT_PEOE_2":0.06201,"moe2D_GCUT_PEOE_3":1.897,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2046,"moe2D_GCUT_SLOGP_2":0.2707,"moe2D_GCUT_SLOGP_3":2.101,"moe2D_GCUT_SMR_0":-0.4055,"moe2D_GCUT_SMR_1":-0.1718,"moe2D_GCUT_SMR_2":0.2812,"moe2D_GCUT_SMR_3":2.227,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.488,"moe2D_KierA1":4.964,"moe2D_KierA2":1.972,"moe2D_KierA3":1.129,"moe2D_KierFlex":1.224,"moe2D_PEOE_PC.":0.5881,"moe2D_PEOE_PC..1":-0.5881,"moe2D_PEOE_RPC.":0.2108,"moe2D_PEOE_RPC..1":0.512,"moe2D_PEOE_VSA.0":6.7,"moe2D_PEOE_VSA.1":21.58,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":54.09,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9491,"moe2D_PEOE_VSA_FNEG":0.6519,"moe2D_PEOE_VSA_FPNEG":0.05086,"moe2D_PEOE_VSA_FPOL":0.05086,"moe2D_PEOE_VSA_FPOS":0.3481,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":124.1,"moe2D_PEOE_VSA_NEG":85.25,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":45.52,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.677,"moe2D_Q_PC..1":-1.677,"moe2D_Q_RPC.":0.2385,"moe2D_Q_RPC..1":0.5367,"moe2D_Q_VSA_FHYD":0.8173,"moe2D_Q_VSA_FNEG":0.6519,"moe2D_Q_VSA_FPNEG":0.05086,"moe2D_Q_VSA_FPOL":0.1827,"moe2D_Q_VSA_FPOS":0.3481,"moe2D_Q_VSA_FPPOS":0.1318,"moe2D_Q_VSA_HYD":106.9,"moe2D_Q_VSA_NEG":85.25,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":45.52,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":3.586,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.501,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":103.5,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":39.15,"moe2D_SlogP":1.922,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":41.91,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.835,"moe2D_VDistMa":5.673,"moe2D_Weight":127.6,"moe2D_a_IC":22.28,"moe2D_a_ICM":1.592,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":17.84,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.357,"moe2D_bpol":6.319,"moe2D_chi0":5.983,"moe2D_chi0_C":3.983,"moe2D_chi0v":5.021,"moe2D_chi0v_C":3.309,"moe2D_chi1":3.805,"moe2D_chi1_C":2.65,"moe2D_chi1v":2.683,"moe2D_chi1v_C":1.827,"moeGao_chi2_C":1.756,"moeGao_chi2v_C":1.007,"moeGao_chi3c":0.4714,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.247,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.54,"moeGao_chi3p_C":1.158,"moeGao_chi3pv":1.249,"moeGao_chi3pv_C":0.5536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.502,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.6108,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.138,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.4742,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7999,"moe2D_diameter":4,"moe2D_kS_aaCH":7.221,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.6181,"moe2D_kS_aasC":0.6335,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.584,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.388,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.824,"moe2D_logS":-1.84,"moe2D_mr":3.512,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":130.8,"moe2D_vdw_vol":159.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":104,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":60,"moe2D_weinerPol":8,"moe2D_zagreb":36}
{"Molecule":"o-chlorophenol","moeGao_Abra_L":4.114,"moeGao_Abra_R":0.864,"moeGao_Abra_acidity":0.463,"moeGao_Abra_basicity":0.323,"moeGao_Abra_pi":0.845,"moe2D_BCUT_PEOE_0":-2.145,"moe2D_BCUT_PEOE_1":-0.6607,"moe2D_BCUT_PEOE_2":0.6888,"moe2D_BCUT_PEOE_3":2.118,"moe2D_BCUT_SLOGP_0":-1.943,"moe2D_BCUT_SLOGP_1":-0.4591,"moe2D_BCUT_SLOGP_2":0.8749,"moe2D_BCUT_SLOGP_3":2.365,"moe2D_BCUT_SMR_0":-1.823,"moe2D_BCUT_SMR_1":-0.4325,"moe2D_BCUT_SMR_2":0.9391,"moe2D_BCUT_SMR_3":2.445,"moe2D_GCUT_PEOE_0":-0.7563,"moe2D_GCUT_PEOE_1":-0.398,"moe2D_GCUT_PEOE_2":0.06724,"moe2D_GCUT_PEOE_3":1.859,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.2227,"moe2D_GCUT_SLOGP_2":0.1841,"moe2D_GCUT_SLOGP_3":2.09,"moe2D_GCUT_SMR_0":-0.4274,"moe2D_GCUT_SMR_1":-0.1835,"moe2D_GCUT_SMR_2":0.3094,"moe2D_GCUT_SMR_3":2.171,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.488,"moe2D_KierA1":5.345,"moe2D_KierA2":2.151,"moe2D_KierA3":1.245,"moe2D_KierFlex":1.437,"moe2D_PEOE_PC.":0.6301,"moe2D_PEOE_PC..1":-0.6301,"moe2D_PEOE_RPC.":0.345,"moe2D_PEOE_RPC..1":0.5688,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":30.04,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":54.09,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8572,"moe2D_PEOE_VSA_FNEG":0.6815,"moe2D_PEOE_VSA_FPNEG":0.06129,"moe2D_PEOE_VSA_FPOL":0.1428,"moe2D_PEOE_VSA_FPOS":0.3185,"moe2D_PEOE_VSA_FPPOS":0.08146,"moe2D_PEOE_VSA_HYD":108.6,"moe2D_PEOE_VSA_NEG":86.37,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":40.36,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.309,"moe2D_Q_PC..1":-1.309,"moe2D_Q_RPC.":0.3436,"moe2D_Q_RPC..1":0.4066,"moe2D_Q_VSA_FHYD":0.8572,"moe2D_Q_VSA_FNEG":0.6815,"moe2D_Q_VSA_FPNEG":0.06129,"moe2D_Q_VSA_FPOL":0.1428,"moe2D_Q_VSA_FPOS":0.3185,"moe2D_Q_VSA_FPPOS":0.08146,"moe2D_Q_VSA_HYD":108.6,"moe2D_Q_VSA_NEG":86.37,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":40.36,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.312,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":8.744,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":39.15,"moe2D_SlogP":2.046,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":44.39,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.835,"moe2D_VDistMa":5.673,"moe2D_Weight":128.6,"moe2D_a_IC":20.99,"moe2D_a_ICM":1.614,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":16.88,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.357,"moe2D_bpol":5.886,"moe2D_chi0":5.983,"moe2D_chi0_C":3.983,"moe2D_chi0v":4.891,"moe2D_chi0v_C":3.309,"moe2D_chi1":3.805,"moe2D_chi1_C":2.65,"moe2D_chi1v":2.618,"moe2D_chi1v_C":1.827,"moeGao_chi2_C":1.756,"moeGao_chi2v_C":1.007,"moeGao_chi3c":0.4714,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2282,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.54,"moeGao_chi3p_C":1.158,"moeGao_chi3pv":1.172,"moeGao_chi3pv_C":0.5536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.502,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.5875,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.138,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.4099,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8383,"moe2D_diameter":4,"moe2D_kS_aaCH":6.669,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.3958,"moe2D_kS_aasC":0.1335,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.459,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.787,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.188,"moe2D_logS":-1.757,"moe2D_mr":3.384,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":126.7,"moe2D_vdw_vol":153.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":105.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":60,"moe2D_weinerPol":8,"moe2D_zagreb":36}
{"Molecule":"o-cresol","moeGao_Abra_L":4.247,"moeGao_Abra_R":0.837,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.429,"moeGao_Abra_pi":0.851,"moe2D_BCUT_PEOE_0":-2.279,"moe2D_BCUT_PEOE_1":-0.5259,"moe2D_BCUT_PEOE_2":0.5937,"moe2D_BCUT_PEOE_3":2.236,"moe2D_BCUT_SLOGP_0":-2.112,"moe2D_BCUT_SLOGP_1":-0.4279,"moe2D_BCUT_SLOGP_2":0.6865,"moe2D_BCUT_SLOGP_3":2.424,"moe2D_BCUT_SMR_0":-1.991,"moe2D_BCUT_SMR_1":-0.4007,"moe2D_BCUT_SMR_2":0.7251,"moe2D_BCUT_SMR_3":2.535,"moe2D_GCUT_PEOE_0":-0.765,"moe2D_GCUT_PEOE_1":-0.3359,"moe2D_GCUT_PEOE_2":0.06181,"moe2D_GCUT_PEOE_3":1.995,"moe2D_GCUT_SLOGP_0":-0.7619,"moe2D_GCUT_SLOGP_1":-0.2234,"moe2D_GCUT_SLOGP_2":0.1393,"moe2D_GCUT_SLOGP_3":2.181,"moe2D_GCUT_SMR_0":-0.4786,"moe2D_GCUT_SMR_1":-0.1829,"moe2D_GCUT_SMR_2":0.1608,"moe2D_GCUT_SMR_3":2.286,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.488,"moe2D_KierA1":4.365,"moe2D_KierA2":1.695,"moe2D_KierA3":0.9503,"moe2D_KierFlex":0.9247,"moe2D_PEOE_PC.":0.6263,"moe2D_PEOE_PC..1":-0.6263,"moe2D_PEOE_RPC.":0.347,"moe2D_PEOE_RPC..1":0.5741,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":25.52,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":33.21,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8569,"moe2D_PEOE_VSA_FNEG":0.6151,"moe2D_PEOE_VSA_FPNEG":0.06146,"moe2D_PEOE_VSA_FPOL":0.1431,"moe2D_PEOE_VSA_FPOS":0.3849,"moe2D_PEOE_VSA_FPPOS":0.08169,"moe2D_PEOE_VSA_HYD":108.3,"moe2D_PEOE_VSA_NEG":77.74,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":48.64,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.276,"moe2D_Q_PC..1":-1.276,"moe2D_Q_RPC.":0.3527,"moe2D_Q_RPC..1":0.4173,"moe2D_Q_VSA_FHYD":0.8569,"moe2D_Q_VSA_FNEG":0.4668,"moe2D_Q_VSA_FPNEG":0.06146,"moe2D_Q_VSA_FPOL":0.1431,"moe2D_Q_VSA_FPOS":0.5332,"moe2D_Q_VSA_FPPOS":0.08169,"moe2D_Q_VSA_HYD":108.3,"moe2D_Q_VSA_NEG":59,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":67.39,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.284,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":8.429,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.701,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":38.57,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.835,"moe2D_VDistMa":5.673,"moe2D_Weight":108.1,"moe2D_a_IC":20.35,"moe2D_a_ICM":1.272,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":16,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":18.46,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":16,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.357,"moe2D_bpol":8.746,"moe2D_chi0":5.983,"moe2D_chi0_C":4.983,"moe2D_chi0v":4.757,"moe2D_chi0v_C":4.309,"moe2D_chi1":3.805,"moe2D_chi1_C":3.227,"moe2D_chi1v":2.551,"moe2D_chi1v_C":2.327,"moeGao_chi2_C":2.497,"moeGao_chi2v_C":1.546,"moeGao_chi3c":0.4714,"moeGao_chi3c_C":0.2357,"moeGao_chi3cv":0.2089,"moeGao_chi3cv_C":0.1443,"moeGao_chi3p":2.54,"moeGao_chi3p_C":1.683,"moeGao_chi3pv":1.115,"moeGao_chi3pv_C":0.8646,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.502,"moeGao_chi4ca_C":1.131,"moeGao_chi4cav":0.5634,"moeGao_chi4cav_C":0.4831,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.138,"moeGao_chi4pc_C":0.3333,"moeGao_chi4pcv":0.3703,"moeGao_chi4pcv_C":0.1667,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6683,"moe2D_diameter":4,"moe2D_kS_aaCH":7.252,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.292,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.87,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.919,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.894,"moe2D_logS":-1.183,"moe2D_mr":3.352,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":126.4,"moe2D_vdw_vol":161.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":103.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":60,"moe2D_weinerPol":8,"moe2D_zagreb":36}
{"Molecule":"o-dichlorobenzene","moeGao_Abra_L":4.511,"moeGao_Abra_R":0.926,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.146,"moeGao_Abra_pi":0.8,"moe2D_BCUT_PEOE_0":-2.118,"moe2D_BCUT_PEOE_1":-0.6662,"moe2D_BCUT_PEOE_2":0.6787,"moe2D_BCUT_PEOE_3":2.1,"moe2D_BCUT_SLOGP_0":-1.91,"moe2D_BCUT_SLOGP_1":-0.4594,"moe2D_BCUT_SLOGP_2":0.9572,"moe2D_BCUT_SLOGP_3":2.337,"moe2D_BCUT_SMR_0":-1.787,"moe2D_BCUT_SMR_1":-0.4325,"moe2D_BCUT_SMR_2":0.9722,"moe2D_BCUT_SMR_3":2.444,"moe2D_GCUT_PEOE_0":-0.7368,"moe2D_GCUT_PEOE_1":-0.4025,"moe2D_GCUT_PEOE_2":0.06643,"moe2D_GCUT_PEOE_3":1.82,"moe2D_GCUT_SLOGP_0":-0.5401,"moe2D_GCUT_SLOGP_1":-0.2153,"moe2D_GCUT_SLOGP_2":0.3781,"moe2D_GCUT_SLOGP_3":2.063,"moe2D_GCUT_SMR_0":-0.3981,"moe2D_GCUT_SMR_1":-0.1742,"moe2D_GCUT_SMR_2":0.373,"moe2D_GCUT_SMR_3":2.157,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.488,"moe2D_KierA1":6.462,"moe2D_KierA2":2.681,"moe2D_KierA3":1.595,"moe2D_KierFlex":2.166,"moe2D_PEOE_PC.":0.3686,"moe2D_PEOE_PC..1":-0.3686,"moe2D_PEOE_RPC.":0.1716,"moe2D_PEOE_RPC..1":0.2226,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":26.1,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":83.67,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8056,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1944,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":134.3,"moe2D_PEOE_VSA_NEG":108.2,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":26.1,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.954,"moe2D_Q_PC..1":-0.954,"moe2D_Q_RPC.":0.1855,"moe2D_Q_RPC..1":0.1855,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.8056,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.1944,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":134.3,"moe2D_Q_VSA_NEG":108.2,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":26.1,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.646,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":7.001,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":2.993,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":7.001,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":78.3,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.835,"moe2D_VDistMa":5.673,"moe2D_Weight":147,"moe2D_a_IC":17.51,"moe2D_a_ICM":1.459,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":17.59,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.357,"moe2D_bpol":5.213,"moe2D_chi0":5.983,"moe2D_chi0_C":3.983,"moe2D_chi0v":5.577,"moe2D_chi0v_C":3.309,"moe2D_chi1":3.805,"moe2D_chi1_C":2.65,"moe2D_chi1v":2.961,"moe2D_chi1v_C":1.827,"moeGao_chi2_C":1.756,"moeGao_chi2v_C":1.007,"moeGao_chi3c":0.4714,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.3273,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.54,"moeGao_chi3p_C":1.158,"moeGao_chi3pv":1.58,"moeGao_chi3pv_C":0.5536,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.502,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.7108,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.138,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.7491,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9143,"moe2D_diameter":4,"moe2D_kS_aaCH":7.191,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.211,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":11.15,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.088,"moe2D_logS":-2.853,"moe2D_mr":3.669,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":134.3,"moe2D_vdw_vol":160.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":131.4,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":60,"moe2D_weinerPol":8,"moe2D_zagreb":36}
{"Molecule":"o-phenylphenol","moeGao_Abra_L":5.647,"moeGao_Abra_R":1.101,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.477,"moeGao_Abra_pi":1.075,"moe2D_BCUT_PEOE_0":-2.249,"moe2D_BCUT_PEOE_1":-0.6286,"moe2D_BCUT_PEOE_2":0.6795,"moe2D_BCUT_PEOE_3":2.203,"moe2D_BCUT_SLOGP_0":-2.031,"moe2D_BCUT_SLOGP_1":-0.5145,"moe2D_BCUT_SLOGP_2":0.7915,"moe2D_BCUT_SLOGP_3":2.442,"moe2D_BCUT_SMR_0":-1.905,"moe2D_BCUT_SMR_1":-0.4767,"moe2D_BCUT_SMR_2":0.8418,"moe2D_BCUT_SMR_3":2.551,"moe2D_GCUT_PEOE_0":-0.7621,"moe2D_GCUT_PEOE_1":-0.3851,"moe2D_GCUT_PEOE_2":0.07408,"moe2D_GCUT_PEOE_3":2.21,"moe2D_GCUT_SLOGP_0":-0.7618,"moe2D_GCUT_SLOGP_1":-0.2546,"moe2D_GCUT_SLOGP_2":0.1584,"moe2D_GCUT_SLOGP_3":2.42,"moe2D_GCUT_SMR_0":-0.4275,"moe2D_GCUT_SMR_1":-0.2075,"moe2D_GCUT_SMR_2":0.187,"moe2D_GCUT_SMR_3":2.531,"moe2D_Kier1":9.551,"moe2D_Kier2":4.481,"moe2D_Kier3":2.268,"moe2D_KierA1":6.362,"moe2D_KierA2":2.871,"moe2D_KierA3":1.406,"moe2D_KierFlex":1.405,"moe2D_PEOE_PC.":0.8699,"moe2D_PEOE_PC..1":-0.8699,"moe2D_PEOE_RPC.":0.2499,"moe2D_PEOE_RPC..1":0.413,"moe2D_PEOE_VSA.0":2.209,"moe2D_PEOE_VSA.1":46.85,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":14.46,"moe2D_PEOE_VSA.1.1":98.04,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8993,"moe2D_PEOE_VSA_FNEG":0.6695,"moe2D_PEOE_VSA_FPNEG":0.04324,"moe2D_PEOE_VSA_FPOL":0.1007,"moe2D_PEOE_VSA_FPOS":0.3305,"moe2D_PEOE_VSA_FPPOS":0.05747,"moe2D_PEOE_VSA_HYD":161.6,"moe2D_PEOE_VSA_NEG":120.3,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":59.38,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.882,"moe2D_Q_PC..1":-1.882,"moe2D_Q_RPC.":0.239,"moe2D_Q_RPC..1":0.2829,"moe2D_Q_VSA_FHYD":0.8993,"moe2D_Q_VSA_FNEG":0.6572,"moe2D_Q_VSA_FPNEG":0.04324,"moe2D_Q_VSA_FPOL":0.1007,"moe2D_Q_VSA_FPOS":0.3428,"moe2D_Q_VSA_FPPOS":0.05747,"moe2D_Q_VSA_HYD":161.6,"moe2D_Q_VSA_NEG":118.1,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":61.59,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":5.354,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.243,"moe2D_SMR_VSA4":6.371,"moe2D_SMR_VSA5":158.8,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":3.059,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":165.2,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":5.243,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.6477,"moe2D_VAdjMa":4.807,"moe2D_VDistEq":2.557,"moe2D_VDistMa":7.098,"moe2D_Weight":170.2,"moe2D_a_IC":27.8,"moe2D_a_ICM":1.209,"moe2D_a_acc":1,"moe2D_a_aro":12,"moe2D_a_count":23,"moe2D_a_don":1,"moe2D_a_heavy":13,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":28.59,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.07143,"moe2D_b_ar":12,"moe2D_b_count":24,"moe2D_b_double":0,"moe2D_b_heavy":14,"moe2D_b_rotN":1,"moe2D_b_rotR":0.07143,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":1.913,"moe2D_bpol":10.93,"moe2D_chi0":9.096,"moe2D_chi0_C":8.096,"moe2D_chi0v":7.143,"moe2D_chi0v_C":6.696,"moe2D_chi1":6.377,"moe2D_chi1_C":5.8,"moe2D_chi1v":4.212,"moe2D_chi1v_C":3.988,"moeGao_chi2_C":4.582,"moeGao_chi2v_C":2.642,"moeGao_chi3c":0.5385,"moeGao_chi3c_C":0.3027,"moeGao_chi3cv":0.2201,"moeGao_chi3cv_C":0.1555,"moeGao_chi3p":4.433,"moeGao_chi3p_C":3.716,"moeGao_chi3pv":1.989,"moeGao_chi3pv_C":1.794,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.608,"moeGao_chi4ca_C":2.965,"moeGao_chi4cav":1.335,"moeGao_chi4cav_C":1.191,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.44,"moeGao_chi4pc_C":0.8347,"moeGao_chi4pcv":0.4918,"moeGao_chi4pcv_C":0.3527,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6745,"moe2D_diameter":7,"moe2D_kS_aaCH":17.19,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.92,"moe2D_kS_aasC":0.3275,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.564,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.556,"moe2D_logS":-3.449,"moe2D_mr":5.383,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":179.6,"moe2D_vdw_vol":252.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":155.2,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":240,"moe2D_weinerPol":17,"moe2D_zagreb":64}
{"Molecule":"o-xylene","moeGao_Abra_L":3.896,"moeGao_Abra_R":0.672,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.129,"moeGao_Abra_pi":0.529,"moe2D_BCUT_PEOE_0":-2.351,"moe2D_BCUT_PEOE_1":-0.4184,"moe2D_BCUT_PEOE_2":0.4513,"moe2D_BCUT_PEOE_3":2.288,"moe2D_BCUT_SLOGP_0":-2.197,"moe2D_BCUT_SLOGP_1":-0.3042,"moe2D_BCUT_SLOGP_2":0.5646,"moe2D_BCUT_SLOGP_3":2.443,"moe2D_BCUT_SMR_0":-2.057,"moe2D_BCUT_SMR_1":-0.2405,"moe2D_BCUT_SMR_2":0.6311,"moe2D_BCUT_SMR_3":2.593,"moe2D_GCUT_PEOE_0":-0.7684,"moe2D_GCUT_PEOE_1":-0.3377,"moe2D_GCUT_PEOE_2":-0.02573,"moe2D_GCUT_PEOE_3":2.086,"moe2D_GCUT_SLOGP_0":-0.6119,"moe2D_GCUT_SLOGP_1":-0.2165,"moe2D_GCUT_SLOGP_2":0.0736,"moe2D_GCUT_SLOGP_3":2.243,"moe2D_GCUT_SMR_0":-0.4791,"moe2D_GCUT_SMR_1":-0.1528,"moe2D_GCUT_SMR_2":0.1247,"moe2D_GCUT_SMR_3":2.378,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.488,"moe2D_KierA1":4.365,"moe2D_KierA2":1.695,"moe2D_KierA3":0.9503,"moe2D_KierFlex":0.9247,"moe2D_PEOE_PC.":0.4142,"moe2D_PEOE_PC..1":-0.4142,"moe2D_PEOE_RPC.":0.1498,"moe2D_PEOE_RPC..1":0.1485,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":41.91,"moe2D_PEOE_VSA.1.1":49.02,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6807,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3193,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":133.6,"moe2D_PEOE_VSA_NEG":90.93,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":42.65,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.887,"moe2D_Q_PC..1":-0.887,"moe2D_Q_RPC.":0.1691,"moe2D_Q_RPC..1":0.1691,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.4,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.6,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":133.6,"moe2D_Q_VSA_NEG":53.44,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":80.15,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.592,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.303,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.835,"moe2D_VDistMa":5.673,"moe2D_Weight":106.2,"moe2D_a_IC":17.84,"moe2D_a_ICM":0.9911,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":18,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":20.75,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":18,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2.357,"moe2D_bpol":10.93,"moe2D_chi0":5.983,"moe2D_chi0_C":5.983,"moe2D_chi0v":5.309,"moe2D_chi0v_C":5.309,"moe2D_chi1":3.805,"moe2D_chi1_C":3.805,"moe2D_chi1v":2.827,"moe2D_chi1v_C":2.827,"moeGao_chi2_C":3.239,"moeGao_chi2v_C":2.084,"moeGao_chi3c":0.4714,"moeGao_chi3c_C":0.4714,"moeGao_chi3cv":0.2887,"moeGao_chi3cv_C":0.2887,"moeGao_chi3p":2.54,"moeGao_chi3p_C":2.54,"moeGao_chi3pv":1.426,"moeGao_chi3pv_C":1.426,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.502,"moeGao_chi4ca_C":1.502,"moeGao_chi4cav":0.6627,"moeGao_chi4cav_C":0.6627,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.138,"moeGao_chi4pc_C":1.138,"moeGao_chi4pcv":0.622,"moeGao_chi4pcv_C":0.622,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5974,"moe2D_diameter":4,"moe2D_kS_aaCH":8.356,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.736,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.241,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.842,"moe2D_logS":-2.333,"moe2D_mr":3.629,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":133.6,"moe2D_vdw_vol":177.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":126.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":60,"moe2D_weinerPol":8,"moe2D_zagreb":36}
{"Molecule":"p-chloro-m-cresol(chlorocresol)","moeGao_Abra_L":5.071,"moeGao_Abra_R":0.972,"moeGao_Abra_acidity":0.749,"moeGao_Abra_basicity":0.395,"moeGao_Abra_pi":0.984,"moe2D_BCUT_PEOE_0":-2.266,"moe2D_BCUT_PEOE_1":-0.5923,"moe2D_BCUT_PEOE_2":0.6338,"moe2D_BCUT_PEOE_3":2.239,"moe2D_BCUT_SLOGP_0":-2.1,"moe2D_BCUT_SLOGP_1":-0.4064,"moe2D_BCUT_SLOGP_2":0.7833,"moe2D_BCUT_SLOGP_3":2.433,"moe2D_BCUT_SMR_0":-1.98,"moe2D_BCUT_SMR_1":-0.3801,"moe2D_BCUT_SMR_2":0.8499,"moe2D_BCUT_SMR_3":2.543,"moe2D_GCUT_PEOE_0":-0.7645,"moe2D_GCUT_PEOE_1":-0.3691,"moe2D_GCUT_PEOE_2":0.05365,"moe2D_GCUT_PEOE_3":2,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.2142,"moe2D_GCUT_SLOGP_2":0.1661,"moe2D_GCUT_SLOGP_3":2.209,"moe2D_GCUT_SMR_0":-0.479,"moe2D_GCUT_SMR_1":-0.1578,"moe2D_GCUT_SMR_2":0.2847,"moe2D_GCUT_SMR_3":2.303,"moe2D_Kier1":7.111,"moe2D_Kier2":2.722,"moe2D_Kier3":1.704,"moe2D_KierA1":6.311,"moe2D_KierA2":2.376,"moe2D_KierA3":1.463,"moe2D_KierFlex":1.666,"moe2D_PEOE_PC.":0.6099,"moe2D_PEOE_PC..1":-0.6099,"moe2D_PEOE_RPC.":0.3563,"moe2D_PEOE_RPC..1":0.5899,"moe2D_PEOE_VSA.0":17.32,"moe2D_PEOE_VSA.1":21.25,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":57.72,"moe2D_PEOE_VSA.1.1":29.58,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8743,"moe2D_PEOE_VSA_FNEG":0.6604,"moe2D_PEOE_VSA_FPNEG":0.05395,"moe2D_PEOE_VSA_FPOL":0.1257,"moe2D_PEOE_VSA_FPOS":0.3396,"moe2D_PEOE_VSA_FPPOS":0.07171,"moe2D_PEOE_VSA_HYD":125.9,"moe2D_PEOE_VSA_NEG":95.07,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":48.89,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.303,"moe2D_Q_PC..1":-1.303,"moe2D_Q_RPC.":0.3454,"moe2D_Q_RPC..1":0.4087,"moe2D_Q_VSA_FHYD":0.8743,"moe2D_Q_VSA_FNEG":0.5301,"moe2D_Q_VSA_FPNEG":0.05395,"moe2D_Q_VSA_FPOL":0.1257,"moe2D_Q_VSA_FPOS":0.4699,"moe2D_Q_VSA_FPPOS":0.07171,"moe2D_Q_VSA_HYD":125.9,"moe2D_Q_VSA_NEG":76.32,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":67.64,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.785,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":11.93,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":72.47,"moe2D_SlogP":2.354,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":77.72,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.037,"moe2D_VDistMa":6.021,"moe2D_Weight":142.6,"moe2D_a_IC":24.7,"moe2D_a_ICM":1.544,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":16,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":19.97,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":16,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.409,"moe2D_bpol":8.072,"moe2D_chi0":6.853,"moe2D_chi0_C":4.853,"moe2D_chi0v":5.813,"moe2D_chi0v_C":4.232,"moe2D_chi1":4.198,"moe2D_chi1_C":3.044,"moe2D_chi1v":3.029,"moe2D_chi1v_C":2.238,"moeGao_chi2_C":2.315,"moeGao_chi2v_C":1.472,"moeGao_chi3c":0.7601,"moeGao_chi3c_C":0.2357,"moeGao_chi3cv":0.3825,"moeGao_chi3cv_C":0.1443,"moeGao_chi3p":2.86,"moeGao_chi3p_C":1.478,"moeGao_chi3pv":1.566,"moeGao_chi3pv_C":0.7904,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.817,"moeGao_chi4ca_C":0.9756,"moeGao_chi4cav":0.7464,"moeGao_chi4cav_C":0.436,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.478,"moeGao_chi4pc_C":0.3027,"moeGao_chi4pcv":0.7521,"moeGao_chi4pcv_C":0.1555,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.802,"moe2D_diameter":5,"moe2D_kS_aaCH":4.865,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.6878,"moe2D_kS_aasC":1.161,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.849,"moe2D_kS_sCl":5.67,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.879,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.523,"moe2D_logS":-1.918,"moe2D_mr":3.835,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":144,"moe2D_vdw_vol":177.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":121.6,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":84,"moe2D_weinerPol":10,"moe2D_zagreb":42}
{"Molecule":"p-chloroaniline","moeGao_Abra_L":4.872,"moeGao_Abra_R":1.066,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.367,"moeGao_Abra_pi":1.144,"moe2D_BCUT_PEOE_0":-2.21,"moe2D_BCUT_PEOE_1":-0.6118,"moe2D_BCUT_PEOE_2":0.6524,"moe2D_BCUT_PEOE_3":2.133,"moe2D_BCUT_SLOGP_0":-2.324,"moe2D_BCUT_SLOGP_1":-0.4373,"moe2D_BCUT_SLOGP_2":0.844,"moe2D_BCUT_SLOGP_3":2.334,"moe2D_BCUT_SMR_0":-1.857,"moe2D_BCUT_SMR_1":-0.4129,"moe2D_BCUT_SMR_2":0.8671,"moe2D_BCUT_SMR_3":2.486,"moe2D_GCUT_PEOE_0":-0.8128,"moe2D_GCUT_PEOE_1":-0.3772,"moe2D_GCUT_PEOE_2":0.06111,"moe2D_GCUT_PEOE_3":1.896,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.2061,"moe2D_GCUT_SLOGP_2":0.2875,"moe2D_GCUT_SLOGP_3":2.096,"moe2D_GCUT_SMR_0":-0.4063,"moe2D_GCUT_SMR_1":-0.1664,"moe2D_GCUT_SMR_2":0.3029,"moe2D_GCUT_SMR_3":2.224,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":4.964,"moe2D_KierA2":1.972,"moe2D_KierA3":1.366,"moe2D_KierFlex":1.224,"moe2D_PEOE_PC.":0.5551,"moe2D_PEOE_PC..1":-0.5551,"moe2D_PEOE_RPC.":0.2232,"moe2D_PEOE_RPC..1":0.5445,"moe2D_PEOE_VSA.0":11.22,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":29.58,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9491,"moe2D_PEOE_VSA_FNEG":0.6519,"moe2D_PEOE_VSA_FPNEG":0.05086,"moe2D_PEOE_VSA_FPOL":0.05086,"moe2D_PEOE_VSA_FPOS":0.3481,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":124.1,"moe2D_PEOE_VSA_NEG":85.25,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":45.52,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.677,"moe2D_Q_PC..1":-1.677,"moe2D_Q_RPC.":0.2385,"moe2D_Q_RPC..1":0.5367,"moe2D_Q_VSA_FHYD":0.8173,"moe2D_Q_VSA_FNEG":0.6519,"moe2D_Q_VSA_FPNEG":0.05086,"moe2D_Q_VSA_FPOL":0.1827,"moe2D_Q_VSA_FPOS":0.3481,"moe2D_Q_VSA_FPPOS":0.1318,"moe2D_Q_VSA_HYD":106.9,"moe2D_Q_VSA_NEG":85.25,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":45.52,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":3.586,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.501,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":103.5,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":39.15,"moe2D_SlogP":1.922,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":41.91,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.991,"moe2D_VDistMa":5.649,"moe2D_Weight":127.6,"moe2D_a_IC":22.28,"moe2D_a_ICM":1.592,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":17.84,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.265,"moe2D_bpol":6.319,"moe2D_chi0":5.983,"moe2D_chi0_C":3.983,"moe2D_chi0v":5.021,"moe2D_chi0v_C":3.309,"moe2D_chi1":3.788,"moe2D_chi1_C":2.633,"moe2D_chi1v":2.677,"moe2D_chi1v_C":1.821,"moeGao_chi2_C":1.732,"moeGao_chi2v_C":1,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2852,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.305,"moeGao_chi3p_C":1.15,"moeGao_chi3pv":1.122,"moeGao_chi3pv_C":0.5516,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.427,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.5888,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.3293,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7999,"moe2D_diameter":5,"moe2D_kS_aaCH":7.054,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.7215,"moe2D_kS_aasC":0.7448,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.556,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.368,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.826,"moe2D_logS":-1.84,"moe2D_mr":3.508,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":130.8,"moe2D_vdw_vol":159.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":104,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":62,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"p-chlorophenol","moeGao_Abra_L":4.595,"moeGao_Abra_R":0.964,"moeGao_Abra_acidity":0.749,"moeGao_Abra_basicity":0.399,"moeGao_Abra_pi":1.008,"moe2D_BCUT_PEOE_0":-2.147,"moe2D_BCUT_PEOE_1":-0.64,"moe2D_BCUT_PEOE_2":0.7057,"moe2D_BCUT_PEOE_3":2.116,"moe2D_BCUT_SLOGP_0":-1.945,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.354,"moe2D_BCUT_SMR_0":-1.825,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.443,"moe2D_GCUT_PEOE_0":-0.7648,"moe2D_GCUT_PEOE_1":-0.3781,"moe2D_GCUT_PEOE_2":0.08411,"moe2D_GCUT_PEOE_3":1.857,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1664,"moe2D_GCUT_SLOGP_3":2.086,"moe2D_GCUT_SMR_0":-0.4292,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.3231,"moe2D_GCUT_SMR_3":2.17,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":5.345,"moe2D_KierA2":2.151,"moe2D_KierA3":1.506,"moe2D_KierFlex":1.437,"moe2D_PEOE_PC.":0.5864,"moe2D_PEOE_PC..1":-0.5864,"moe2D_PEOE_RPC.":0.3706,"moe2D_PEOE_RPC..1":0.6136,"moe2D_PEOE_VSA.0":4.52,"moe2D_PEOE_VSA.1":25.52,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":29.58,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8572,"moe2D_PEOE_VSA_FNEG":0.6815,"moe2D_PEOE_VSA_FPNEG":0.06129,"moe2D_PEOE_VSA_FPOL":0.1428,"moe2D_PEOE_VSA_FPOS":0.3185,"moe2D_PEOE_VSA_FPPOS":0.08146,"moe2D_PEOE_VSA_HYD":108.6,"moe2D_PEOE_VSA_NEG":86.37,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":40.36,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.309,"moe2D_Q_PC..1":-1.31,"moe2D_Q_RPC.":0.3436,"moe2D_Q_RPC..1":0.4066,"moe2D_Q_VSA_FHYD":0.8572,"moe2D_Q_VSA_FNEG":0.6815,"moe2D_Q_VSA_FPNEG":0.06129,"moe2D_Q_VSA_FPOL":0.1428,"moe2D_Q_VSA_FPOS":0.3185,"moe2D_Q_VSA_FPPOS":0.08146,"moe2D_Q_VSA_HYD":108.6,"moe2D_Q_VSA_NEG":86.37,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":40.36,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.312,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":8.744,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":39.15,"moe2D_SlogP":2.046,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":3.501,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":44.39,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.991,"moe2D_VDistMa":5.649,"moe2D_Weight":128.6,"moe2D_a_IC":20.99,"moe2D_a_ICM":1.614,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":1,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":16.88,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.265,"moe2D_bpol":5.886,"moe2D_chi0":5.983,"moe2D_chi0_C":3.983,"moe2D_chi0v":4.891,"moe2D_chi0v_C":3.309,"moe2D_chi1":3.788,"moe2D_chi1_C":2.633,"moe2D_chi1v":2.612,"moe2D_chi1v_C":1.821,"moeGao_chi2_C":1.732,"moeGao_chi2v_C":1,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2635,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.305,"moeGao_chi3p_C":1.15,"moeGao_chi3pv":1.079,"moeGao_chi3pv_C":0.5516,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.427,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.5671,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.3043,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8383,"moe2D_diameter":5,"moe2D_kS_aaCH":6.36,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.6415,"moe2D_kS_aasC":0.2448,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":5.501,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.698,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.19,"moe2D_logS":-1.757,"moe2D_mr":3.381,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":126.7,"moe2D_vdw_vol":153.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":105.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":62,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"p-cresol","moeGao_Abra_L":4.247,"moeGao_Abra_R":0.837,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.429,"moeGao_Abra_pi":0.851,"moe2D_BCUT_PEOE_0":-2.278,"moe2D_BCUT_PEOE_1":-0.6431,"moe2D_BCUT_PEOE_2":0.7028,"moe2D_BCUT_PEOE_3":2.224,"moe2D_BCUT_SLOGP_0":-2.115,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.405,"moe2D_BCUT_SMR_0":-1.987,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.528,"moe2D_GCUT_PEOE_0":-0.7654,"moe2D_GCUT_PEOE_1":-0.3819,"moe2D_GCUT_PEOE_2":0.08247,"moe2D_GCUT_PEOE_3":1.988,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.171,"moe2D_GCUT_SMR_0":-0.4791,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.28,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":4.365,"moe2D_KierA2":1.695,"moe2D_KierA3":1.15,"moe2D_KierFlex":0.9247,"moe2D_PEOE_PC.":0.626,"moe2D_PEOE_PC..1":-0.626,"moe2D_PEOE_RPC.":0.3471,"moe2D_PEOE_RPC..1":0.5748,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":25.52,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":43.26,"moe2D_PEOE_VSA.1.1":26.72,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8569,"moe2D_PEOE_VSA_FNEG":0.6151,"moe2D_PEOE_VSA_FPNEG":0.06146,"moe2D_PEOE_VSA_FPOL":0.1431,"moe2D_PEOE_VSA_FPOS":0.3849,"moe2D_PEOE_VSA_FPPOS":0.08169,"moe2D_PEOE_VSA_HYD":108.3,"moe2D_PEOE_VSA_NEG":77.74,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":48.64,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.276,"moe2D_Q_PC..1":-1.276,"moe2D_Q_RPC.":0.3527,"moe2D_Q_RPC..1":0.4173,"moe2D_Q_VSA_FHYD":0.8569,"moe2D_Q_VSA_FNEG":0.4668,"moe2D_Q_VSA_FPNEG":0.06146,"moe2D_Q_VSA_FPOL":0.1431,"moe2D_Q_VSA_FPOS":0.5332,"moe2D_Q_VSA_FPPOS":0.08169,"moe2D_Q_VSA_HYD":108.3,"moe2D_Q_VSA_NEG":59,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":67.39,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.284,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":8.429,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.701,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":38.57,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.991,"moe2D_VDistMa":5.649,"moe2D_Weight":108.1,"moe2D_a_IC":20.35,"moe2D_a_ICM":1.272,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":16,"moe2D_a_don":1,"moe2D_a_heavy":8,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":18.46,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":16,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":10,"moe2D_b_triple":0,"moe2D_balabanJ":2.265,"moe2D_bpol":8.746,"moe2D_chi0":5.983,"moe2D_chi0_C":4.983,"moe2D_chi0v":4.757,"moe2D_chi0v_C":4.309,"moe2D_chi1":3.788,"moe2D_chi1_C":3.21,"moe2D_chi1v":2.545,"moe2D_chi1v_C":2.321,"moeGao_chi2_C":2.549,"moeGao_chi2v_C":1.577,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0.2887,"moeGao_chi3cv":0.2412,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":2.305,"moeGao_chi3p_C":1.727,"moeGao_chi3pv":1.034,"moeGao_chi3pv_C":0.8849,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.427,"moeGao_chi4ca_C":1.093,"moeGao_chi4cav":0.5448,"moeGao_chi4cav_C":0.4702,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0.4082,"moeGao_chi4pcv":0.2785,"moeGao_chi4pcv_C":0.1925,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6683,"moe2D_diameter":5,"moe2D_kS_aaCH":7.093,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.499,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.986,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.757,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.896,"moe2D_logS":-1.497,"moe2D_mr":3.348,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":126.4,"moe2D_vdw_vol":161.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":103.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":62,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"p-dichlorobenzene","moeGao_Abra_L":4.592,"moeGao_Abra_R":0.926,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.092,"moeGao_Abra_pi":0.843,"moe2D_BCUT_PEOE_0":-2.117,"moe2D_BCUT_PEOE_1":-0.66,"moe2D_BCUT_PEOE_2":0.6716,"moe2D_BCUT_PEOE_3":2.099,"moe2D_BCUT_SLOGP_0":-1.906,"moe2D_BCUT_SLOGP_1":-0.3743,"moe2D_BCUT_SLOGP_2":0.9071,"moe2D_BCUT_SLOGP_3":2.331,"moe2D_BCUT_SMR_0":-1.785,"moe2D_BCUT_SMR_1":-0.361,"moe2D_BCUT_SMR_2":0.9333,"moe2D_BCUT_SMR_3":2.442,"moe2D_GCUT_PEOE_0":-0.7213,"moe2D_GCUT_PEOE_1":-0.3957,"moe2D_GCUT_PEOE_2":0.0415,"moe2D_GCUT_PEOE_3":1.82,"moe2D_GCUT_SLOGP_0":-0.5246,"moe2D_GCUT_SLOGP_1":-0.1504,"moe2D_GCUT_SLOGP_2":0.4003,"moe2D_GCUT_SLOGP_3":2.06,"moe2D_GCUT_SMR_0":-0.3901,"moe2D_GCUT_SMR_1":-0.1169,"moe2D_GCUT_SMR_2":0.3809,"moe2D_GCUT_SMR_3":2.156,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":6.462,"moe2D_KierA2":2.681,"moe2D_KierA3":1.929,"moe2D_KierFlex":2.166,"moe2D_PEOE_PC.":0.3351,"moe2D_PEOE_PC..1":-0.3351,"moe2D_PEOE_RPC.":0.1887,"moe2D_PEOE_RPC..1":0.2493,"moe2D_PEOE_VSA.0":9.039,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":59.16,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8056,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1944,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":134.3,"moe2D_PEOE_VSA_NEG":108.2,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":26.1,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.954,"moe2D_Q_PC..1":-0.954,"moe2D_Q_RPC.":0.1855,"moe2D_Q_RPC..1":0.1855,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.8056,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.1944,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":134.3,"moe2D_Q_VSA_NEG":108.2,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":26.1,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.646,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":7.001,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":78.3,"moe2D_SlogP":2.993,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":7.001,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":78.3,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.991,"moe2D_VDistMa":5.649,"moe2D_Weight":147,"moe2D_a_IC":17.51,"moe2D_a_ICM":1.459,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":2,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":17.59,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":2.265,"moe2D_bpol":5.213,"moe2D_chi0":5.983,"moe2D_chi0_C":3.983,"moe2D_chi0v":5.577,"moe2D_chi0v_C":3.309,"moe2D_chi1":3.788,"moe2D_chi1_C":2.633,"moe2D_chi1v":2.955,"moe2D_chi1v_C":1.821,"moeGao_chi2_C":1.732,"moeGao_chi2v_C":1,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.378,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.305,"moeGao_chi3p_C":1.15,"moeGao_chi3pv":1.307,"moeGao_chi3pv_C":0.5516,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.427,"moeGao_chi4ca_C":0.7601,"moeGao_chi4cav":0.6815,"moeGao_chi4cav_C":0.3036,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.4364,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.9143,"moe2D_diameter":5,"moe2D_kS_aaCH":7.015,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":1.434,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":11.11,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.09,"moe2D_logS":-2.853,"moe2D_mr":3.666,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":134.3,"moe2D_vdw_vol":160.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":131.4,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":62,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"p-ethylphenol","moeGao_Abra_L":4.746,"moeGao_Abra_R":0.837,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.429,"moeGao_Abra_pi":0.851,"moe2D_BCUT_PEOE_0":-2.42,"moe2D_BCUT_PEOE_1":-0.6431,"moe2D_BCUT_PEOE_2":0.7029,"moe2D_BCUT_PEOE_3":2.366,"moe2D_BCUT_SLOGP_0":-2.311,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.49,"moe2D_BCUT_SMR_0":-2.159,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.64,"moe2D_GCUT_PEOE_0":-0.7751,"moe2D_GCUT_PEOE_1":-0.3819,"moe2D_GCUT_PEOE_2":0.08249,"moe2D_GCUT_PEOE_3":2.103,"moe2D_GCUT_SLOGP_0":-0.7618,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.265,"moe2D_GCUT_SMR_0":-0.5129,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.384,"moe2D_Kier1":7.111,"moe2D_Kier2":3.24,"moe2D_Kier3":2,"moe2D_KierA1":5.29,"moe2D_KierA2":2.309,"moe2D_KierA3":1.366,"moe2D_KierFlex":1.357,"moe2D_PEOE_PC.":0.6747,"moe2D_PEOE_PC..1":-0.6747,"moe2D_PEOE_RPC.":0.3221,"moe2D_PEOE_RPC..1":0.5333,"moe2D_PEOE_VSA.0":21.33,"moe2D_PEOE_VSA.1":25.52,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":35.42,"moe2D_PEOE_VSA.1.1":43.26,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.874,"moe2D_PEOE_VSA_FNEG":0.6019,"moe2D_PEOE_VSA_FPNEG":0.05409,"moe2D_PEOE_VSA_FPOL":0.126,"moe2D_PEOE_VSA_FPOS":0.3981,"moe2D_PEOE_VSA_FPPOS":0.07189,"moe2D_PEOE_VSA_HYD":125.5,"moe2D_PEOE_VSA_NEG":86.44,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":57.17,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.276,"moe2D_Q_PC..1":-1.276,"moe2D_Q_RPC.":0.3527,"moe2D_Q_RPC..1":0.4173,"moe2D_Q_VSA_FHYD":0.874,"moe2D_Q_VSA_FNEG":0.4108,"moe2D_Q_VSA_FPNEG":0.05409,"moe2D_Q_VSA_FPOL":0.126,"moe2D_Q_VSA_FPOS":0.5892,"moe2D_Q_VSA_FPPOS":0.07189,"moe2D_Q_VSA_HYD":125.5,"moe2D_Q_VSA_NEG":59,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":84.62,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":3.748,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":8.429,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":89.44,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.955,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":18.87,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":38.57,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.7642,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.25,"moe2D_VDistMa":5.986,"moe2D_Weight":122.2,"moe2D_a_IC":23.49,"moe2D_a_ICM":1.236,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":19,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":21.55,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.1111,"moe2D_b_ar":6,"moe2D_b_count":19,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1111,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.233,"moe2D_bpol":10.93,"moe2D_chi0":6.69,"moe2D_chi0_C":5.69,"moe2D_chi0v":5.464,"moe2D_chi0v_C":5.017,"moe2D_chi1":4.326,"moe2D_chi1_C":3.748,"moe2D_chi1v":3.106,"moe2D_chi1v_C":2.882,"moeGao_chi2_C":2.718,"moeGao_chi2v_C":1.762,"moeGao_chi3c":0.4928,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.1924,"moeGao_chi3cv_C":0.1179,"moeGao_chi3p":2.713,"moeGao_chi3p_C":2.135,"moeGao_chi3pv":1.345,"moeGao_chi3pv_C":1.196,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.737,"moeGao_chi4ca_C":1.404,"moeGao_chi4cav":0.7317,"moeGao_chi4cav_C":0.6571,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.901,"moeGao_chi4pc_C":0.4928,"moeGao_chi4pcv":0.34,"moeGao_chi4pcv_C":0.2539,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6559,"moe2D_diameter":6,"moe2D_kS_aaCH":7.266,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.597,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.09,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.852,"moe2D_kS_ssCH2":1.028,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.371,"moe2D_logS":-2.012,"moe2D_mr":3.819,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":143.6,"moe2D_vdw_vol":186.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":119.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":90,"moe2D_weinerPol":9,"moe2D_zagreb":40}
{"Molecule":"p-t-butylstyrene(benzene1-(11-dimethylethyl)-4-ethynyl-)","moeGao_Abra_L":5.373,"moeGao_Abra_R":0.778,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.203,"moeGao_Abra_pi":0.49,"moe2D_BCUT_PEOE_0":-2.632,"moe2D_BCUT_PEOE_1":-0.4022,"moe2D_BCUT_PEOE_2":0.4325,"moe2D_BCUT_PEOE_3":2.576,"moe2D_BCUT_SLOGP_0":-2.536,"moe2D_BCUT_SLOGP_1":-0.3327,"moe2D_BCUT_SLOGP_2":0.504,"moe2D_BCUT_SLOGP_3":2.679,"moe2D_BCUT_SMR_0":-2.369,"moe2D_BCUT_SMR_1":-0.2314,"moe2D_BCUT_SMR_2":0.607,"moe2D_BCUT_SMR_3":2.845,"moe2D_GCUT_PEOE_0":-0.7925,"moe2D_GCUT_PEOE_1":-0.3557,"moe2D_GCUT_PEOE_2":-0.07324,"moe2D_GCUT_PEOE_3":2.409,"moe2D_GCUT_SLOGP_0":-0.7286,"moe2D_GCUT_SLOGP_1":-0.2629,"moe2D_GCUT_SLOGP_2":-0.00032,"moe2D_GCUT_SLOGP_3":2.549,"moe2D_GCUT_SMR_0":-0.5215,"moe2D_GCUT_SMR_1":-0.169,"moe2D_GCUT_SMR_2":0.09615,"moe2D_GCUT_SMR_3":2.685,"moe2D_Kier1":10.08,"moe2D_Kier2":3.806,"moe2D_Kier3":2.778,"moe2D_KierA1":7.55,"moe2D_KierA2":2.767,"moe2D_KierA3":1.972,"moe2D_KierFlex":1.741,"moe2D_PEOE_PC.":0.6318,"moe2D_PEOE_PC..1":-0.6318,"moe2D_PEOE_RPC.":0.09869,"moe2D_PEOE_RPC..1":0.1553,"moe2D_PEOE_VSA.0":38.39,"moe2D_PEOE_VSA.1":29.86,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":4.417,"moe2D_PEOE_VSA.1.1":139.8,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6788,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3212,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":212.5,"moe2D_PEOE_VSA_NEG":144.2,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":68.25,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.222,"moe2D_Q_PC..1":-1.222,"moe2D_Q_RPC.":0.1228,"moe2D_Q_RPC..1":0.2455,"moe2D_Q_VSA_FHYD":0.895,"moe2D_Q_VSA_FNEG":0.4037,"moe2D_Q_VSA_FPNEG":0.105,"moe2D_Q_VSA_FPOL":0.105,"moe2D_Q_VSA_FPOS":0.5963,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":190.2,"moe2D_Q_VSA_NEG":85.78,"moe2D_Q_VSA_PNEG":22.3,"moe2D_Q_VSA_POL":22.3,"moe2D_Q_VSA_POS":126.7,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":5.523,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":17.64,"moe2D_SMR_VSA7":132.1,"moe2D_SlogP":3.627,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":17.64,"moe2D_SlogP_VSA9":132.1,"moe2D_TPSA":0,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.579,"moe2D_VDistMa":6.838,"moe2D_Weight":160.3,"moe2D_a_IC":27.59,"moe2D_a_ICM":0.9852,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":28,"moe2D_a_don":0,"moe2D_a_heavy":12,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":12,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":16,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":31.79,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.08333,"moe2D_b_ar":6,"moe2D_b_count":28,"moe2D_b_double":1,"moe2D_b_heavy":12,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1667,"moe2D_b_single":21,"moe2D_b_triple":0,"moe2D_balabanJ":2.389,"moe2D_bpol":17.49,"moe2D_chi0":9.19,"moe2D_chi0_C":9.19,"moe2D_chi0v":8.094,"moe2D_chi0v_C":8.094,"moe2D_chi1":5.537,"moe2D_chi1_C":5.537,"moe2D_chi1v":4.268,"moe2D_chi1v_C":4.268,"moeGao_chi2_C":5.492,"moeGao_chi2v_C":4.076,"moeGao_chi3c":1.714,"moeGao_chi3c_C":1.714,"moeGao_chi3cv":1.43,"moeGao_chi3cv_C":1.43,"moeGao_chi3p":3.649,"moeGao_chi3p_C":3.649,"moeGao_chi3pv":2.012,"moeGao_chi3pv_C":2.012,"moeGao_chi4c":0.2887,"moeGao_chi4c_C":0.2887,"moeGao_chi4ca":2.437,"moeGao_chi4ca_C":2.437,"moeGao_chi4cav":1.119,"moeGao_chi4cav_C":1.119,"moeGao_chi4cv":0.25,"moeGao_chi4cv_C":0.25,"moeGao_chi4pc":2.355,"moeGao_chi4pc_C":2.355,"moeGao_chi4pcv":1.391,"moeGao_chi4pcv_C":1.391,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5946,"moe2D_diameter":7,"moe2D_kS_aaCH":8.537,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.552,"moe2D_kS_dCH2":3.723,"moe2D_kS_dO":0,"moe2D_kS_dsCH":1.868,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.655,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0.2497,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":5.264,"moe2D_logS":-4.501,"moe2D_mr":5.353,"moe2D_opr_brigid":7,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":212.5,"moe2D_vdw_vol":269.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":201.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":201,"moe2D_weinerPol":15,"moe2D_zagreb":58}
{"Molecule":"p-tert-amylphenol","moeGao_Abra_L":5.831,"moeGao_Abra_R":0.816,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.48,"moeGao_Abra_pi":0.772,"moe2D_BCUT_PEOE_0":-2.676,"moe2D_BCUT_PEOE_1":-0.3842,"moe2D_BCUT_PEOE_2":0.4192,"moe2D_BCUT_PEOE_3":2.621,"moe2D_BCUT_SLOGP_0":-2.573,"moe2D_BCUT_SLOGP_1":-0.3143,"moe2D_BCUT_SLOGP_2":0.4888,"moe2D_BCUT_SLOGP_3":2.731,"moe2D_BCUT_SMR_0":-2.415,"moe2D_BCUT_SMR_1":-0.2182,"moe2D_BCUT_SMR_2":0.5885,"moe2D_BCUT_SMR_3":2.887,"moe2D_GCUT_PEOE_0":-0.7952,"moe2D_GCUT_PEOE_1":-0.3452,"moe2D_GCUT_PEOE_2":-0.07458,"moe2D_GCUT_PEOE_3":2.465,"moe2D_GCUT_SLOGP_0":-0.7618,"moe2D_GCUT_SLOGP_1":-0.2597,"moe2D_GCUT_SLOGP_2":-0.00074,"moe2D_GCUT_SLOGP_3":2.604,"moe2D_GCUT_SMR_0":-0.5261,"moe2D_GCUT_SMR_1":-0.1643,"moe2D_GCUT_SMR_2":0.09089,"moe2D_GCUT_SMR_3":2.723,"moe2D_Kier1":10.08,"moe2D_Kier2":3.806,"moe2D_Kier3":2.493,"moe2D_KierA1":8.138,"moe2D_KierA2":3.006,"moe2D_KierA3":1.936,"moe2D_KierFlex":2.039,"moe2D_PEOE_PC.":0.8089,"moe2D_PEOE_PC..1":-0.8089,"moe2D_PEOE_RPC.":0.2687,"moe2D_PEOE_RPC..1":0.4448,"moe2D_PEOE_VSA.0":46.92,"moe2D_PEOE_VSA.1":25.52,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":35.42,"moe2D_PEOE_VSA.1.1":80.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9125,"moe2D_PEOE_VSA_FNEG":0.5996,"moe2D_PEOE_VSA_FPNEG":0.03758,"moe2D_PEOE_VSA_FPOL":0.08752,"moe2D_PEOE_VSA_FPOS":0.4004,"moe2D_PEOE_VSA_FPPOS":0.04995,"moe2D_PEOE_VSA_HYD":188.6,"moe2D_PEOE_VSA_NEG":123.9,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":82.76,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.276,"moe2D_Q_PC..1":-1.276,"moe2D_Q_RPC.":0.3527,"moe2D_Q_RPC..1":0.4173,"moe2D_Q_VSA_FHYD":0.9125,"moe2D_Q_VSA_FNEG":0.2854,"moe2D_Q_VSA_FPNEG":0.03758,"moe2D_Q_VSA_FPOL":0.08752,"moe2D_Q_VSA_FPOS":0.7146,"moe2D_Q_VSA_FPPOS":0.04995,"moe2D_Q_VSA_HYD":188.6,"moe2D_Q_VSA_NEG":59,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":147.7,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":5.142,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":8.429,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":89.44,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":3.08,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":105.2,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.511,"moe2D_VDistMa":6.856,"moe2D_Weight":164.2,"moe2D_a_IC":32.55,"moe2D_a_ICM":1.163,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":28,"moe2D_a_don":1,"moe2D_a_heavy":12,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":11,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":16,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":30.83,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1667,"moe2D_b_ar":6,"moe2D_b_count":28,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":2,"moe2D_b_rotR":0.1667,"moe2D_b_single":22,"moe2D_b_triple":0,"moe2D_balabanJ":2.463,"moe2D_bpol":17.49,"moe2D_chi0":9.19,"moe2D_chi0_C":8.19,"moe2D_chi0v":7.964,"moe2D_chi0v_C":7.517,"moe2D_chi1":5.56,"moe2D_chi1_C":4.982,"moe2D_chi1v":4.356,"moe2D_chi1v_C":4.132,"moeGao_chi2_C":4.482,"moeGao_chi2v_C":3.526,"moeGao_chi3c":1.483,"moeGao_chi3c_C":1.195,"moeGao_chi3cv":1.115,"moeGao_chi3cv_C":1.04,"moeGao_chi3p":4.032,"moeGao_chi3p_C":3.455,"moeGao_chi3pv":2.533,"moeGao_chi3pv_C":2.384,"moeGao_chi4c":0.2041,"moeGao_chi4c_C":0.2041,"moeGao_chi4ca":2.33,"moeGao_chi4ca_C":1.997,"moeGao_chi4cav":1.117,"moeGao_chi4cav_C":1.042,"moeGao_chi4cv":0.1768,"moeGao_chi4cv_C":0.1768,"moeGao_chi4pc":2.751,"moeGao_chi4pc_C":2.342,"moeGao_chi4pcv":1.812,"moeGao_chi4pcv_C":1.726,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6328,"moe2D_diameter":7,"moe2D_kS_aaCH":7.456,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.619,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.589,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.095,"moe2D_kS_ssCH2":1.109,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0.216,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.539,"moe2D_logS":-3.558,"moe2D_mr":5.142,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4286,"moe2D_petitjeanSC":0.75,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":206.7,"moe2D_vdw_vol":259.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":177.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":195,"moe2D_weinerPol":16,"moe2D_zagreb":58}
{"Molecule":"p-tert-butylphenol(butylphen)","moeGao_Abra_L":5.332,"moeGao_Abra_R":0.816,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.48,"moeGao_Abra_pi":0.772,"moe2D_BCUT_PEOE_0":-2.631,"moe2D_BCUT_PEOE_1":-0.401,"moe2D_BCUT_PEOE_2":0.4342,"moe2D_BCUT_PEOE_3":2.577,"moe2D_BCUT_SLOGP_0":-2.535,"moe2D_BCUT_SLOGP_1":-0.334,"moe2D_BCUT_SLOGP_2":0.5011,"moe2D_BCUT_SLOGP_3":2.68,"moe2D_BCUT_SMR_0":-2.369,"moe2D_BCUT_SMR_1":-0.2314,"moe2D_BCUT_SMR_2":0.6071,"moe2D_BCUT_SMR_3":2.845,"moe2D_GCUT_PEOE_0":-0.7926,"moe2D_GCUT_PEOE_1":-0.355,"moe2D_GCUT_PEOE_2":-0.07293,"moe2D_GCUT_PEOE_3":2.372,"moe2D_GCUT_SLOGP_0":-0.7618,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.00029,"moe2D_GCUT_SLOGP_3":2.513,"moe2D_GCUT_SMR_0":-0.5215,"moe2D_GCUT_SMR_1":-0.1689,"moe2D_GCUT_SMR_2":0.09702,"moe2D_GCUT_SMR_3":2.635,"moe2D_Kier1":9.091,"moe2D_Kier2":3.164,"moe2D_Kier3":2.5,"moe2D_KierA1":7.18,"moe2D_KierA2":2.434,"moe2D_KierA3":1.877,"moe2D_KierFlex":1.588,"moe2D_PEOE_PC.":0.7571,"moe2D_PEOE_PC..1":-0.7571,"moe2D_PEOE_RPC.":0.2871,"moe2D_PEOE_RPC..1":0.4753,"moe2D_PEOE_VSA.0":38.39,"moe2D_PEOE_VSA.1":25.52,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":26.72,"moe2D_PEOE_VSA.1.1":80.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9045,"moe2D_PEOE_VSA_FNEG":0.6082,"moe2D_PEOE_VSA_FPNEG":0.041,"moe2D_PEOE_VSA_FPOL":0.09549,"moe2D_PEOE_VSA_FPOS":0.3918,"moe2D_PEOE_VSA_FPPOS":0.05449,"moe2D_PEOE_VSA_HYD":171.4,"moe2D_PEOE_VSA_NEG":115.2,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":74.23,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.276,"moe2D_Q_PC..1":-1.276,"moe2D_Q_RPC.":0.3527,"moe2D_Q_RPC..1":0.4173,"moe2D_Q_VSA_FHYD":0.9045,"moe2D_Q_VSA_FNEG":0.3114,"moe2D_Q_VSA_FPNEG":0.041,"moe2D_Q_VSA_FPOL":0.09549,"moe2D_Q_VSA_FPOS":0.6886,"moe2D_Q_VSA_FPPOS":0.05449,"moe2D_Q_VSA_HYD":171.4,"moe2D_Q_VSA_NEG":59,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":130.5,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":4.681,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":8.429,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":2.69,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":105.2,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.383,"moe2D_VDistMa":6.598,"moe2D_Weight":150.2,"moe2D_a_IC":29.57,"moe2D_a_ICM":1.183,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":25,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":27.74,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":25,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":1,"moe2D_b_rotR":0.09091,"moe2D_b_single":19,"moe2D_b_triple":0,"moe2D_balabanJ":2.427,"moe2D_bpol":15.3,"moe2D_chi0":8.483,"moe2D_chi0_C":7.483,"moe2D_chi0v":7.257,"moe2D_chi0v_C":6.809,"moe2D_chi1":4.999,"moe2D_chi1_C":4.422,"moe2D_chi1v":3.795,"moe2D_chi1v_C":3.571,"moeGao_chi2_C":4.506,"moeGao_chi2v_C":3.539,"moeGao_chi3c":1.799,"moeGao_chi3c_C":1.51,"moeGao_chi3cv":1.408,"moeGao_chi3cv_C":1.333,"moeGao_chi3p":3.241,"moeGao_chi3p_C":2.663,"moeGao_chi3pv":1.733,"moeGao_chi3pv_C":1.584,"moeGao_chi4c":0.2887,"moeGao_chi4c_C":0.2887,"moeGao_chi4ca":2.126,"moeGao_chi4ca_C":1.793,"moeGao_chi4cav":0.9614,"moeGao_chi4cav_C":0.8869,"moeGao_chi4cv":0.25,"moeGao_chi4cv_C":0.25,"moeGao_chi4pc":2.27,"moeGao_chi4pc_C":1.862,"moeGao_chi4pcv":1.298,"moeGao_chi4pcv_C":1.212,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6389,"moe2D_diameter":6,"moe2D_kS_aaCH":7.353,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.577,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.456,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.022,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0.1743,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.097,"moe2D_logS":-3.043,"moe2D_mr":4.668,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":189.5,"moe2D_vdw_vol":235.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":162.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":152,"moe2D_weinerPol":13,"moe2D_zagreb":54}
{"Molecule":"p-xylene","moeGao_Abra_L":3.896,"moeGao_Abra_R":0.672,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.129,"moeGao_Abra_pi":0.529,"moe2D_BCUT_PEOE_0":-2.327,"moe2D_BCUT_PEOE_1":-0.2065,"moe2D_BCUT_PEOE_2":0.2511,"moe2D_BCUT_PEOE_3":2.262,"moe2D_BCUT_SLOGP_0":-2.168,"moe2D_BCUT_SLOGP_1":-0.09736,"moe2D_BCUT_SLOGP_2":0.3539,"moe2D_BCUT_SLOGP_3":2.422,"moe2D_BCUT_SMR_0":-2.03,"moe2D_BCUT_SMR_1":-0.09615,"moe2D_BCUT_SMR_2":0.4192,"moe2D_BCUT_SMR_3":2.57,"moe2D_GCUT_PEOE_0":-0.7661,"moe2D_GCUT_PEOE_1":-0.2673,"moe2D_GCUT_PEOE_2":-0.06164,"moe2D_GCUT_PEOE_3":2.067,"moe2D_GCUT_SLOGP_0":-0.6084,"moe2D_GCUT_SLOGP_1":-0.1462,"moe2D_GCUT_SLOGP_2":0.03015,"moe2D_GCUT_SLOGP_3":2.227,"moe2D_GCUT_SMR_0":-0.4823,"moe2D_GCUT_SMR_1":-0.1082,"moe2D_GCUT_SMR_2":0.05263,"moe2D_GCUT_SMR_3":2.361,"moe2D_Kier1":6.125,"moe2D_Kier2":2.52,"moe2D_Kier3":1.8,"moe2D_KierA1":4.365,"moe2D_KierA2":1.695,"moe2D_KierA3":1.15,"moe2D_KierFlex":0.9247,"moe2D_PEOE_PC.":0.4146,"moe2D_PEOE_PC..1":-0.4146,"moe2D_PEOE_RPC.":0.1496,"moe2D_PEOE_RPC..1":0.1413,"moe2D_PEOE_VSA.0":25.59,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":37.5,"moe2D_PEOE_VSA.1.1":53.44,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.6807,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.3193,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":133.6,"moe2D_PEOE_VSA_NEG":90.93,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":42.65,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.887,"moe2D_Q_PC..1":-0.887,"moe2D_Q_RPC.":0.1691,"moe2D_Q_RPC..1":0.1691,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.4,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.6,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":133.6,"moe2D_Q_VSA_NEG":53.44,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":80.15,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.592,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":6.371,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":70.57,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":2.303,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":70.57,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.991,"moe2D_VDistMa":5.649,"moe2D_Weight":106.2,"moe2D_a_IC":17.84,"moe2D_a_ICM":0.9911,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":18,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":20.75,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":18,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2.265,"moe2D_bpol":10.93,"moe2D_chi0":5.983,"moe2D_chi0_C":5.983,"moe2D_chi0v":5.309,"moe2D_chi0v_C":5.309,"moe2D_chi1":3.788,"moe2D_chi1_C":3.788,"moe2D_chi1v":2.821,"moe2D_chi1v_C":2.821,"moeGao_chi2_C":3.365,"moeGao_chi2v_C":2.155,"moeGao_chi3c":0.5774,"moeGao_chi3c_C":0.5774,"moeGao_chi3cv":0.3333,"moeGao_chi3cv_C":0.3333,"moeGao_chi3p":2.305,"moeGao_chi3p_C":2.305,"moeGao_chi3pv":1.218,"moeGao_chi3pv_C":1.218,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.427,"moeGao_chi4ca_C":1.427,"moeGao_chi4cav":0.6369,"moeGao_chi4cav_C":0.6369,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0.8165,"moeGao_chi4pcv":0.3849,"moeGao_chi4pcv_C":0.3849,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5974,"moe2D_diameter":5,"moe2D_kS_aaCH":8.481,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.659,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.193,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.844,"moe2D_logS":-2.333,"moe2D_mr":3.626,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":133.6,"moe2D_vdw_vol":177.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":126.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":62,"moe2D_weinerPol":7,"moe2D_zagreb":36}
{"Molecule":"pentabromophenol","moeGao_Abra_L":9.122,"moeGao_Abra_R":2.269,"moeGao_Abra_acidity":0.758,"moeGao_Abra_basicity":0.139,"moeGao_Abra_pi":1.448,"moe2D_BCUT_PEOE_0":-2.106,"moe2D_BCUT_PEOE_1":-0.6878,"moe2D_BCUT_PEOE_2":0.658,"moe2D_BCUT_PEOE_3":2.158,"moe2D_BCUT_SLOGP_0":-1.871,"moe2D_BCUT_SLOGP_1":-0.07351,"moe2D_BCUT_SLOGP_2":1.305,"moe2D_BCUT_SLOGP_3":2.473,"moe2D_BCUT_SMR_0":-1.757,"moe2D_BCUT_SMR_1":0.00632,"moe2D_BCUT_SMR_2":1.414,"moe2D_BCUT_SMR_3":2.547,"moe2D_GCUT_PEOE_0":-0.7498,"moe2D_GCUT_PEOE_1":-0.4091,"moe2D_GCUT_PEOE_2":0.00802,"moe2D_GCUT_PEOE_3":1.89,"moe2D_GCUT_SLOGP_0":-0.7616,"moe2D_GCUT_SLOGP_1":-0.04288,"moe2D_GCUT_SLOGP_2":0.8126,"moe2D_GCUT_SLOGP_3":2.252,"moe2D_GCUT_SMR_0":-0.4268,"moe2D_GCUT_SMR_1":0.1792,"moe2D_GCUT_SMR_2":0.8623,"moe2D_GCUT_SMR_3":2.326,"moe2D_Kier1":10.08,"moe2D_Kier2":3.395,"moe2D_Kier3":1.562,"moe2D_KierA1":20.92,"moe2D_KierA2":7.497,"moe2D_KierA3":3.619,"moe2D_KierFlex":13.07,"moe2D_PEOE_PC.":0.5941,"moe2D_PEOE_PC..1":-0.5941,"moe2D_PEOE_RPC.":0.3659,"moe2D_PEOE_RPC..1":0.6018,"moe2D_PEOE_VSA.0":6.757,"moe2D_PEOE_VSA.1":4.504,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":218.1,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9293,"moe2D_PEOE_VSA_FNEG":0.8826,"moe2D_PEOE_VSA_FPNEG":0.03035,"moe2D_PEOE_VSA_FPOL":0.07069,"moe2D_PEOE_VSA_FPOS":0.1174,"moe2D_PEOE_VSA_FPPOS":0.04034,"moe2D_PEOE_VSA_HYD":237.8,"moe2D_PEOE_VSA_NEG":225.9,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":30.04,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.087,"moe2D_Q_PC..1":-1.087,"moe2D_Q_RPC.":0.4138,"moe2D_Q_RPC..1":0.4897,"moe2D_Q_VSA_FHYD":0.9293,"moe2D_Q_VSA_FNEG":0.8826,"moe2D_Q_VSA_FPNEG":0.03035,"moe2D_Q_VSA_FPOL":0.07069,"moe2D_Q_VSA_FPOS":0.1174,"moe2D_Q_VSA_FPPOS":0.04034,"moe2D_Q_VSA_HYD":237.8,"moe2D_Q_VSA_NEG":225.9,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":30.04,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":6.661,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":15.28,"moe2D_SMR_VSA3":5.243,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":229.8,"moe2D_SlogP":5.205,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":15.28,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":235,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.134,"moe2D_VDistMa":6.91,"moe2D_Weight":488.6,"moe2D_a_IC":20.99,"moe2D_a_ICM":1.614,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":12,"moe2D_a_hyd":11,"moe2D_a_nBr":5,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":1,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":27.28,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.806,"moe2D_bpol":7.543,"moe2D_chi0":9.464,"moe2D_chi0_C":3.464,"moe2D_chi0v":13.27,"moe2D_chi0v_C":3,"moe2D_chi1":5.464,"moe2D_chi1_C":2,"moe2D_chi1v":6.634,"moe2D_chi1v_C":1.5,"moeGao_chi2_C":1.155,"moeGao_chi2v_C":0.75,"moeGao_chi3c":1.155,"moeGao_chi3c_C":0,"moeGao_chi3cv":1.283,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.976,"moeGao_chi3p_C":0.6667,"moeGao_chi3pv":7.238,"moeGao_chi3pv_C":0.375,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.873,"moeGao_chi4ca_C":0.3849,"moeGao_chi4cav":3.619,"moeGao_chi4cav_C":0.1875,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":3.643,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":5.58,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.731,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":3.623,"moe2D_kS_aasC":0.1638,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":16.45,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.518,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":1,"moe2D_logP.o.w.":5.576,"moe2D_logS":-6.475,"moe2D_mr":6.311,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":0,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":2,"moe2D_petitjean":0.2,"moe2D_petitjeanSC":0.25,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":255.9,"moe2D_vdw_vol":282.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":237.8,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":174,"moe2D_weinerPol":21,"moe2D_zagreb":60}
{"Molecule":"pentachloroethane","moeGao_Abra_L":4.249,"moeGao_Abra_R":0.617,"moeGao_Abra_acidity":0.099,"moeGao_Abra_basicity":0.104,"moeGao_Abra_pi":0.694,"moe2D_BCUT_PEOE_0":-2.211,"moe2D_BCUT_PEOE_1":-0.09357,"moe2D_BCUT_PEOE_2":-0.01884,"moe2D_BCUT_PEOE_3":2.404,"moe2D_BCUT_SLOGP_0":-1.967,"moe2D_BCUT_SLOGP_1":0.4381,"moe2D_BCUT_SLOGP_2":0.6895,"moe2D_BCUT_SLOGP_3":2.673,"moe2D_BCUT_SMR_0":-1.957,"moe2D_BCUT_SMR_1":0.3734,"moe2D_BCUT_SMR_2":0.5853,"moe2D_BCUT_SMR_3":2.667,"moe2D_GCUT_PEOE_0":-0.6203,"moe2D_GCUT_PEOE_1":-0.2536,"moe2D_GCUT_PEOE_2":-0.1777,"moe2D_GCUT_PEOE_3":1.595,"moe2D_GCUT_SLOGP_0":-0.4563,"moe2D_GCUT_SLOGP_1":0.2803,"moe2D_GCUT_SLOGP_2":0.5295,"moe2D_GCUT_SLOGP_3":1.972,"moe2D_GCUT_SMR_0":-0.4258,"moe2D_GCUT_SMR_1":0.2199,"moe2D_GCUT_SMR_2":0.4253,"moe2D_GCUT_SMR_3":1.937,"moe2D_Kier1":7,"moe2D_Kier2":1.852,"moe2D_Kier3":2.667,"moe2D_KierA1":17.67,"moe2D_KierA2":5.416,"moe2D_KierA3":9.068,"moe2D_KierFlex":13.67,"moe2D_PEOE_PC.":0.4416,"moe2D_PEOE_PC..1":-0.4416,"moe2D_PEOE_RPC.":0.498,"moe2D_PEOE_RPC..1":0.2267,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":4.265,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":3.277,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":59.16,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.9515,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.04852,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":155.5,"moe2D_PEOE_VSA_NEG":147.9,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":7.543,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.45,"moe2D_Q_PC..1":-1.45,"moe2D_Q_RPC.":0.6,"moe2D_Q_RPC..1":0.2,"moe2D_Q_VSA_FHYD":0.02744,"moe2D_Q_VSA_FNEG":0.9515,"moe2D_Q_VSA_FPNEG":0.9515,"moe2D_Q_VSA_FPOL":0.9726,"moe2D_Q_VSA_FPOS":0.04852,"moe2D_Q_VSA_FPPOS":0.02108,"moe2D_Q_VSA_HYD":4.265,"moe2D_Q_VSA_NEG":147.9,"moe2D_Q_VSA_PNEG":147.9,"moe2D_Q_VSA_POL":151.2,"moe2D_Q_VSA_POS":7.543,"moe2D_Q_VSA_PPOS":3.277,"moe2D_SMR":3.571,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.041,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":195.7,"moe2D_SlogP":4,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":5.041,"moe2D_SlogP_VSA9":195.7,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8031,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.557,"moe2D_VDistMa":5.284,"moe2D_Weight":202.3,"moe2D_a_IC":10.39,"moe2D_a_ICM":1.299,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":8,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":5,"moe2D_a_nF":0,"moe2D_a_nH":1,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":15.09,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":7,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":1,"moe2D_b_rotR":0.1667,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":3.541,"moe2D_bpol":3.193,"moe2D_chi0":6.077,"moe2D_chi0_C":1.077,"moe2D_chi0v":6.747,"moe2D_chi0v_C":1.077,"moe2D_chi1":2.943,"moe2D_chi1_C":0.2887,"moe2D_chi1v":3.299,"moe2D_chi1v_C":0.2887,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":1.655,"moeGao_chi3c_C":0,"moeGao_chi3cv":2.214,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.732,"moeGao_chi3p_C":0,"moeGao_chi3pv":2.227,"moeGao_chi3pv_C":0,"moeGao_chi4c":0.2887,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.4208,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.598,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":3.788,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.419,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":25.65,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":-0.9606,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-1.552,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.9,"moe2D_logS":-3.41,"moe2D_mr":3.297,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":155.5,"moe2D_vdw_vol":142.5,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":147.9,"moe2D_vsa_other":6.831,"moe2D_vsa_pol":0,"moe2D_weinerPath":42,"moe2D_weinerPol":6,"moe2D_zagreb":30}
{"Molecule":"pentachlorophenol","moeGao_Abra_L":6.982,"moeGao_Abra_R":1.404,"moeGao_Abra_acidity":0.758,"moeGao_Abra_basicity":0.194,"moeGao_Abra_pi":1.053,"moe2D_BCUT_PEOE_0":-2.092,"moe2D_BCUT_PEOE_1":-0.7026,"moe2D_BCUT_PEOE_2":0.6466,"moe2D_BCUT_PEOE_3":2.176,"moe2D_BCUT_SLOGP_0":-1.859,"moe2D_BCUT_SLOGP_1":-0.1417,"moe2D_BCUT_SLOGP_2":1.211,"moe2D_BCUT_SLOGP_3":2.468,"moe2D_BCUT_SMR_0":-1.763,"moe2D_BCUT_SMR_1":-0.1632,"moe2D_BCUT_SMR_2":1.191,"moe2D_BCUT_SMR_3":2.51,"moe2D_GCUT_PEOE_0":-0.7461,"moe2D_GCUT_PEOE_1":-0.4209,"moe2D_GCUT_PEOE_2":-0.00983,"moe2D_GCUT_PEOE_3":1.904,"moe2D_GCUT_SLOGP_0":-0.7616,"moe2D_GCUT_SLOGP_1":-0.04169,"moe2D_GCUT_SLOGP_2":0.6655,"moe2D_GCUT_SLOGP_3":2.228,"moe2D_GCUT_SMR_0":-0.4252,"moe2D_GCUT_SMR_1":0.08213,"moe2D_GCUT_SMR_2":0.5794,"moe2D_GCUT_SMR_3":2.26,"moe2D_Kier1":10.08,"moe2D_Kier2":3.395,"moe2D_Kier3":1.562,"moe2D_KierA1":14.65,"moe2D_KierA2":5.101,"moe2D_KierA3":2.41,"moe2D_KierFlex":6.227,"moe2D_PEOE_PC.":0.7567,"moe2D_PEOE_PC..1":-0.7567,"moe2D_PEOE_RPC.":0.2874,"moe2D_PEOE_RPC..1":0.4717,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":22.6,"moe2D_PEOE_VSA.2":8.459,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":147.9,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.9082,"moe2D_PEOE_VSA_FNEG":0.79,"moe2D_PEOE_VSA_FPNEG":0.03942,"moe2D_PEOE_VSA_FPOL":0.09181,"moe2D_PEOE_VSA_FPOS":0.21,"moe2D_PEOE_VSA_FPPOS":0.05239,"moe2D_PEOE_VSA_HYD":179,"moe2D_PEOE_VSA_NEG":155.7,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":41.38,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.417,"moe2D_Q_PC..1":-1.418,"moe2D_Q_RPC.":0.3175,"moe2D_Q_RPC..1":0.3757,"moe2D_Q_VSA_FHYD":0.9082,"moe2D_Q_VSA_FNEG":0.79,"moe2D_Q_VSA_FPNEG":0.03942,"moe2D_Q_VSA_FPOL":0.09181,"moe2D_Q_VSA_FPOS":0.21,"moe2D_Q_VSA_FPPOS":0.05239,"moe2D_Q_VSA_HYD":179,"moe2D_Q_VSA_NEG":155.7,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":41.38,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":5.316,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":22.75,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":195.7,"moe2D_SlogP":4.659,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":17.5,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":201,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.134,"moe2D_VDistMa":6.91,"moe2D_Weight":266.3,"moe2D_a_IC":20.99,"moe2D_a_ICM":1.614,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":12,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":5,"moe2D_a_nF":0,"moe2D_a_nH":1,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":22.93,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.806,"moe2D_bpol":3.193,"moe2D_chi0":9.464,"moe2D_chi0_C":3.464,"moe2D_chi0v":9.117,"moe2D_chi0v_C":3,"moe2D_chi1":5.464,"moe2D_chi1_C":2,"moe2D_chi1v":4.558,"moe2D_chi1v_C":1.5,"moeGao_chi2_C":1.155,"moeGao_chi2v_C":0.75,"moeGao_chi3c":1.155,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.7646,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.976,"moeGao_chi3p_C":0.6667,"moeGao_chi3pv":3.443,"moeGao_chi3pv_C":0.375,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.873,"moeGao_chi4ca_C":0.3849,"moeGao_chi4cav":1.722,"moeGao_chi4cav_C":0.1875,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":3.643,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":2.304,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.226,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":-0.1864,"moe2D_kS_aasC":-0.3632,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":27.9,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.201,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.546,"moe2D_logS":-4.694,"moe2D_mr":5.062,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":1,"moe2D_petitjean":0.2,"moe2D_petitjeanSC":0.25,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":197.1,"moe2D_vdw_vol":217.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":179,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":174,"moe2D_weinerPol":21,"moe2D_zagreb":60}
{"Molecule":"pentachloropyridine","moeGao_Abra_L":6.767,"moeGao_Abra_R":1.309,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.365,"moeGao_Abra_pi":1.129,"moe2D_BCUT_PEOE_0":-2.009,"moe2D_BCUT_PEOE_1":-0.6564,"moe2D_BCUT_PEOE_2":0.6152,"moe2D_BCUT_PEOE_3":2.114,"moe2D_BCUT_SLOGP_0":-1.818,"moe2D_BCUT_SLOGP_1":-0.1098,"moe2D_BCUT_SLOGP_2":1.208,"moe2D_BCUT_SLOGP_3":2.365,"moe2D_BCUT_SMR_0":-1.676,"moe2D_BCUT_SMR_1":-0.1216,"moe2D_BCUT_SMR_2":1.155,"moe2D_BCUT_SMR_3":2.448,"moe2D_GCUT_PEOE_0":-0.6731,"moe2D_GCUT_PEOE_1":-0.3974,"moe2D_GCUT_PEOE_2":-0.00872,"moe2D_GCUT_PEOE_3":1.79,"moe2D_GCUT_SLOGP_0":-0.6936,"moe2D_GCUT_SLOGP_1":0.05168,"moe2D_GCUT_SLOGP_2":0.6728,"moe2D_GCUT_SLOGP_3":2.077,"moe2D_GCUT_SMR_0":-0.349,"moe2D_GCUT_SMR_1":0.09675,"moe2D_GCUT_SMR_2":0.5849,"moe2D_GCUT_SMR_3":2.15,"moe2D_Kier1":9.091,"moe2D_Kier2":3.164,"moe2D_Kier3":1.6,"moe2D_KierA1":13.52,"moe2D_KierA2":4.897,"moe2D_KierA3":2.563,"moe2D_KierFlex":6.02,"moe2D_PEOE_PC.":0.5795,"moe2D_PEOE_PC..1":-0.5795,"moe2D_PEOE_RPC.":0.2599,"moe2D_PEOE_RPC..1":0.3809,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":13.56,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":18.02,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":147.9,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":5.683,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9693,"moe2D_PEOE_VSA_FNEG":0.8295,"moe2D_PEOE_VSA_FPNEG":0.03069,"moe2D_PEOE_VSA_FPOL":0.03069,"moe2D_PEOE_VSA_FPOS":0.1705,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":179.5,"moe2D_PEOE_VSA_NEG":153.6,"moe2D_PEOE_VSA_PNEG":5.683,"moe2D_PEOE_VSA_POL":5.683,"moe2D_PEOE_VSA_POS":31.58,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.505,"moe2D_Q_PC..1":-1.505,"moe2D_Q_RPC.":0.3236,"moe2D_Q_RPC..1":0.412,"moe2D_Q_VSA_FHYD":0.872,"moe2D_Q_VSA_FNEG":0.8295,"moe2D_Q_VSA_FPNEG":0.03069,"moe2D_Q_VSA_FPOL":0.128,"moe2D_Q_VSA_FPOS":0.1705,"moe2D_Q_VSA_FPPOS":0.09732,"moe2D_Q_VSA_HYD":161.5,"moe2D_Q_VSA_NEG":153.6,"moe2D_Q_VSA_PNEG":5.683,"moe2D_Q_VSA_POL":23.7,"moe2D_Q_VSA_POS":31.58,"moe2D_Q_VSA_PPOS":18.02,"moe2D_SMR":4.929,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":16.65,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":195.7,"moe2D_SlogP":4.349,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":16.65,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":195.7,"moe2D_TPSA":12.89,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.107,"moe2D_VDistMa":6.643,"moe2D_Weight":251.3,"moe2D_a_IC":14.83,"moe2D_a_ICM":1.349,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":11,"moe2D_a_don":0,"moe2D_a_heavy":11,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":5,"moe2D_a_nF":0,"moe2D_a_nH":0,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":20.8,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":11,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":5,"moe2D_b_triple":0,"moe2D_balabanJ":2.675,"moe2D_bpol":3.42,"moe2D_chi0":8.594,"moe2D_chi0_C":2.887,"moe2D_chi0v":8.617,"moe2D_chi0v_C":2.5,"moe2D_chi1":5.037,"moe2D_chi1_C":1.333,"moe2D_chi1v":4.282,"moe2D_chi1v_C":1,"moeGao_chi2_C":0.5774,"moeGao_chi2v_C":0.375,"moeGao_chi3c":1.049,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.6788,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.197,"moeGao_chi3p_C":0.2222,"moeGao_chi3pv":2.992,"moeGao_chi3pv_C":0.125,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.531,"moeGao_chi4ca_C":0.06415,"moeGao_chi4cav":1.461,"moeGao_chi4cav_C":0.03125,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.916,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.259,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":3.616,"moe2D_kS_aaaC":0.4453,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":27.83,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":4.436,"moe2D_logS":-4.421,"moe2D_mr":4.691,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":185.2,"moe2D_vdw_vol":199.6,"moe2D_vsa_acc":5.683,"moe2D_vsa_don":0,"moe2D_vsa_hyd":161.5,"moe2D_vsa_other":18.02,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":140,"moe2D_weinerPol":17,"moe2D_zagreb":54}
{"Molecule":"pentafluoroaniline","moeGao_Abra_L":3.579,"moeGao_Abra_R":0.341,"moeGao_Abra_acidity":0.277,"moeGao_Abra_basicity":0.292,"moeGao_Abra_pi":0.899,"moe2D_BCUT_PEOE_0":-2.125,"moe2D_BCUT_PEOE_1":-0.7304,"moe2D_BCUT_PEOE_2":0.5599,"moe2D_BCUT_PEOE_3":2.252,"moe2D_BCUT_SLOGP_0":-2.339,"moe2D_BCUT_SLOGP_1":-0.3468,"moe2D_BCUT_SLOGP_2":0.9443,"moe2D_BCUT_SLOGP_3":2.252,"moe2D_BCUT_SMR_0":-1.871,"moe2D_BCUT_SMR_1":-0.4616,"moe2D_BCUT_SMR_2":0.8082,"moe2D_BCUT_SMR_3":2.469,"moe2D_GCUT_PEOE_0":-0.791,"moe2D_GCUT_PEOE_1":-0.4673,"moe2D_GCUT_PEOE_2":-0.04202,"moe2D_GCUT_PEOE_3":1.992,"moe2D_GCUT_SLOGP_0":-1.334,"moe2D_GCUT_SLOGP_1":-0.1543,"moe2D_GCUT_SLOGP_2":0.4051,"moe2D_GCUT_SLOGP_3":2.039,"moe2D_GCUT_SMR_0":-0.4076,"moe2D_GCUT_SMR_1":-0.2026,"moe2D_GCUT_SMR_2":0.1827,"moe2D_GCUT_SMR_3":2.199,"moe2D_Kier1":10.08,"moe2D_Kier2":3.395,"moe2D_Kier3":1.562,"moe2D_KierA1":7.109,"moe2D_KierA2":2.308,"moe2D_KierA3":1.032,"moe2D_KierFlex":1.368,"moe2D_PEOE_PC.":1.297,"moe2D_PEOE_PC..1":-1.297,"moe2D_PEOE_RPC.":0.1536,"moe2D_PEOE_RPC..1":0.2294,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":6.7,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":45.1,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":35.73,"moe2D_PEOE_VSA.4.1":23.82,"moe2D_PEOE_VSA.5.1":6.651,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.7747,"moe2D_PEOE_VSA_FNEG":0.4895,"moe2D_PEOE_VSA_FPNEG":0.2253,"moe2D_PEOE_VSA_FPOL":0.2253,"moe2D_PEOE_VSA_FPOS":0.5105,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":104.8,"moe2D_PEOE_VSA_NEG":66.19,"moe2D_PEOE_VSA_PNEG":30.47,"moe2D_PEOE_VSA_POL":30.47,"moe2D_PEOE_VSA_POS":69.04,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.85,"moe2D_Q_PC..1":-1.85,"moe2D_Q_RPC.":0.2162,"moe2D_Q_RPC..1":0.4865,"moe2D_Q_VSA_FHYD":0.8234,"moe2D_Q_VSA_FNEG":0.4895,"moe2D_Q_VSA_FPNEG":0.04918,"moe2D_Q_VSA_FPOL":0.1766,"moe2D_Q_VSA_FPOS":0.5105,"moe2D_Q_VSA_FPPOS":0.1275,"moe2D_Q_VSA_HYD":111.3,"moe2D_Q_VSA_NEG":66.19,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":69.04,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":3.064,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":74.8,"moe2D_SMR_VSA2":45.61,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":2.757,"moe2D_SMR_VSA5":32.9,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.964,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":45.61,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":77.56,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.65,"moe2D_VAdjMa":4.585,"moe2D_VDistEq":2.134,"moe2D_VDistMa":6.91,"moe2D_Weight":183.1,"moe2D_a_IC":24.18,"moe2D_a_ICM":1.727,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":1,"moe2D_a_heavy":12,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":5,"moe2D_a_nH":2,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":15.78,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":0,"moe2D_b_heavy":12,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":8,"moe2D_b_triple":0,"moe2D_balabanJ":2.806,"moe2D_bpol":7.541,"moe2D_chi0":9.464,"moe2D_chi0_C":3.464,"moe2D_chi0v":5.467,"moe2D_chi0v_C":3,"moe2D_chi1":5.464,"moe2D_chi1_C":2,"moe2D_chi1v":2.734,"moe2D_chi1v_C":1.5,"moeGao_chi2_C":1.155,"moeGao_chi2v_C":0.75,"moeGao_chi3c":1.155,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.3084,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.976,"moeGao_chi3p_C":0.6667,"moeGao_chi3pv":1.244,"moeGao_chi3pv_C":0.375,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.873,"moeGao_chi4ca_C":0.3849,"moeGao_chi4cav":0.6219,"moeGao_chi4cav_C":0.1875,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":3.643,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.5604,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.15,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":-10.3,"moe2D_kS_aasC":-1.369,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":61.11,"moe2D_kS_sNH2":4.556,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.987,"moe2D_logS":-2.581,"moe2D_mr":3.064,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.2,"moe2D_petitjeanSC":0.25,"moe2D_radius":4,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":135.2,"moe2D_vdw_vol":159.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":17.74,"moe2D_vsa_hyd":111.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":174,"moe2D_weinerPol":21,"moe2D_zagreb":60}
{"Molecule":"pentafluorobenzaldehyde","moeGao_Abra_L":3.701,"moeGao_Abra_R":0.205,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.343,"moeGao_Abra_pi":1.017,"moe2D_BCUT_PEOE_0":-2.038,"moe2D_BCUT_PEOE_1":-0.7311,"moe2D_BCUT_PEOE_2":0.5573,"moe2D_BCUT_PEOE_3":2.262,"moe2D_BCUT_SLOGP_0":-2.1,"moe2D_BCUT_SLOGP_1":-0.3492,"moe2D_BCUT_SLOGP_2":0.943,"moe2D_BCUT_SLOGP_3":2.216,"moe2D_BCUT_SMR_0":-1.839,"moe2D_BCUT_SMR_1":-0.4613,"moe2D_BCUT_SMR_2":0.807,"moe2D_BCUT_SMR_3":2.458,"moe2D_GCUT_PEOE_0":-0.6232,"moe2D_GCUT_PEOE_1":-0.4692,"moe2D_GCUT_PEOE_2":-0.06908,"moe2D_GCUT_PEOE_3":2.008,"moe2D_GCUT_SLOGP_0":-0.775,"moe2D_GCUT_SLOGP_1":-0.1648,"moe2D_GCUT_SLOGP_2":0.405,"moe2D_GCUT_SLOGP_3":2.015,"moe2D_GCUT_SMR_0":-0.4078,"moe2D_GCUT_SMR_1":-0.2032,"moe2D_GCUT_SMR_2":0.1825,"moe2D_GCUT_SMR_3":2.207,"moe2D_Kier1":11.08,"moe2D_Kier2":4.022,"moe2D_Kier3":1.775,"moe2D_KierA1":7.767,"moe2D_KierA2":2.727,"moe2D_KierA3":1.17,"moe2D_KierFlex":1.63,"moe2D_PEOE_PC.":1.297,"moe2D_PEOE_PC..1":-1.297,"moe2D_PEOE_RPC.":0.1536,"moe2D_PEOE_RPC..1":0.2279,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":2.209,"moe2D_PEOE_VSA.2":4.265,"moe2D_PEOE_VSA.3":63.61,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":35.73,"moe2D_PEOE_VSA.4.1":23.82,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.7389,"moe2D_PEOE_VSA_FNEG":0.5106,"moe2D_PEOE_VSA_FPNEG":0.2611,"moe2D_PEOE_VSA_FPOL":0.2611,"moe2D_PEOE_VSA_FPOS":0.4894,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":105.8,"moe2D_PEOE_VSA_NEG":73.11,"moe2D_PEOE_VSA_PNEG":37.38,"moe2D_PEOE_VSA_POL":37.38,"moe2D_PEOE_VSA_POS":70.08,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.52,"moe2D_Q_PC..1":-1.52,"moe2D_Q_RPC.":0.2788,"moe2D_Q_RPC..1":0.375,"moe2D_Q_VSA_FHYD":0.776,"moe2D_Q_VSA_FNEG":0.5106,"moe2D_Q_VSA_FPNEG":0.09475,"moe2D_Q_VSA_FPOL":0.224,"moe2D_Q_VSA_FPOS":0.4894,"moe2D_Q_VSA_FPPOS":0.1292,"moe2D_Q_VSA_HYD":111.1,"moe2D_Q_VSA_NEG":73.11,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":70.08,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":3.162,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":74.8,"moe2D_SMR_VSA2":45.61,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":20.15,"moe2D_SlogP":2.195,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":65.75,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":74.8,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.6194,"moe2D_VAdjMa":4.7,"moe2D_VDistEq":2.281,"moe2D_VDistMa":7.143,"moe2D_Weight":196.1,"moe2D_a_IC":22.04,"moe2D_a_ICM":1.574,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":14,"moe2D_a_don":0,"moe2D_a_heavy":13,"moe2D_a_hyd":11,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":5,"moe2D_a_nH":1,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":16.57,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.07692,"moe2D_b_ar":6,"moe2D_b_count":14,"moe2D_b_double":1,"moe2D_b_heavy":13,"moe2D_b_rotN":1,"moe2D_b_rotR":0.07692,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.828,"moe2D_bpol":8.066,"moe2D_chi0":10.17,"moe2D_chi0_C":4.171,"moe2D_chi0v":5.875,"moe2D_chi0v_C":3.577,"moe2D_chi1":6.002,"moe2D_chi1_C":2.408,"moe2D_chi1v":2.969,"moe2D_chi1v_C":1.789,"moeGao_chi2_C":1.626,"moeGao_chi2v_C":1.039,"moeGao_chi3c":1.098,"moeGao_chi3c_C":0.1361,"moeGao_chi3cv":0.3084,"moeGao_chi3cv_C":0.07217,"moeGao_chi3p":5.139,"moeGao_chi3p_C":0.9388,"moeGao_chi3pv":1.362,"moeGao_chi3pv_C":0.5193,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":3.439,"moeGao_chi4ca_C":0.542,"moeGao_chi4cav":0.7253,"moeGao_chi4cav_C":0.2597,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":3.488,"moeGao_chi4pc_C":0.1571,"moeGao_chi4pcv":0.5898,"moeGao_chi4pcv_C":0.07217,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.152,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":-10.76,"moe2D_kS_aasC":-1.462,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.928,"moe2D_kS_dsCH":-0.4343,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":61.73,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.586,"moe2D_logS":-2.866,"moe2D_mr":3.335,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":4,"moe2D_reactive":1,"moe2D_rings":1,"moe2D_vdw_area":143.2,"moe2D_vdw_vol":170.2,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":106.9,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":220,"moe2D_weinerPol":23,"moe2D_zagreb":64}
{"Molecule":"pentanal","moeGao_Abra_L":2.912,"moeGao_Abra_R":0.171,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.423,"moeGao_Abra_pi":0.622,"moe2D_BCUT_PEOE_0":-2.57,"moe2D_BCUT_PEOE_1":-0.1571,"moe2D_BCUT_PEOE_2":0.03387,"moe2D_BCUT_PEOE_3":2.531,"moe2D_BCUT_SLOGP_0":-2.433,"moe2D_BCUT_SLOGP_1":-0.06208,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.674,"moe2D_BCUT_SMR_0":-2.328,"moe2D_BCUT_SMR_1":0.03607,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.776,"moe2D_GCUT_PEOE_0":-0.7898,"moe2D_GCUT_PEOE_1":-0.2221,"moe2D_GCUT_PEOE_2":-0.1261,"moe2D_GCUT_PEOE_3":2.026,"moe2D_GCUT_SLOGP_0":-0.808,"moe2D_GCUT_SLOGP_1":-0.1834,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.14,"moe2D_GCUT_SMR_0":-0.5281,"moe2D_GCUT_SMR_1":-0.09973,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.241,"moe2D_Kier1":6,"moe2D_Kier2":5,"moe2D_Kier3":5.333,"moe2D_KierA1":5.037,"moe2D_KierA2":4.021,"moe2D_KierA3":4.107,"moe2D_KierFlex":3.376,"moe2D_PEOE_PC.":0.4687,"moe2D_PEOE_PC..1":-0.4687,"moe2D_PEOE_RPC.":0.2567,"moe2D_PEOE_RPC..1":0.6422,"moe2D_PEOE_VSA.0":47.09,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":22.77,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":8.701,"moe2D_PEOE_VSA.1.1":27.45,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":13.57,"moe2D_PEOE_VSA_FHYD":0.8865,"moe2D_PEOE_VSA_FNEG":0.4158,"moe2D_PEOE_VSA_FPNEG":0.1135,"moe2D_PEOE_VSA_FPOL":0.1135,"moe2D_PEOE_VSA_FPOS":0.5842,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":106,"moe2D_PEOE_VSA_NEG":49.72,"moe2D_PEOE_VSA_PNEG":13.57,"moe2D_PEOE_VSA_POL":13.57,"moe2D_PEOE_VSA_POS":69.86,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.57,"moe2D_Q_PC..1":-0.57,"moe2D_Q_RPC.":0.7877,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7318,"moe2D_Q_VSA_FNEG":0.1135,"moe2D_Q_VSA_FPNEG":0.1135,"moe2D_Q_VSA_FPOL":0.2682,"moe2D_Q_VSA_FPOS":0.8865,"moe2D_Q_VSA_FPPOS":0.1548,"moe2D_Q_VSA_HYD":87.51,"moe2D_Q_VSA_NEG":13.57,"moe2D_Q_VSA_PNEG":13.57,"moe2D_Q_VSA_POL":32.07,"moe2D_Q_VSA_POS":106,"moe2D_Q_VSA_PPOS":18.5,"moe2D_SMR":2.559,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":56.61,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":53.47,"moe2D_SlogP":1.376,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":44.01,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":56.61,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":17.07,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":2.149,"moe2D_VDistMa":4.704,"moe2D_Weight":86.13,"moe2D_a_IC":19.17,"moe2D_a_ICM":1.198,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":16.27,"moe2D_b_1rotN":3,"moe2D_b_1rotR":0.6,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":1,"moe2D_b_heavy":5,"moe2D_b_rotN":3,"moe2D_b_rotR":0.6,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":2.367,"moe2D_bpol":11.89,"moe2D_chi0":4.828,"moe2D_chi0_C":3.828,"moe2D_chi0v":4.107,"moe2D_chi0v_C":3.699,"moe2D_chi1":2.914,"moe2D_chi1_C":2.207,"moe2D_chi1v":2.351,"moe2D_chi1v_C":2.115,"moeGao_chi2_C":1.207,"moeGao_chi2v_C":1.142,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.9571,"moeGao_chi3p_C":0.6036,"moeGao_chi3pv":0.6755,"moeGao_chi3pv_C":0.5577,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.5,"moeGao_chi4ca_C":0.25,"moeGao_chi4cav":0.2875,"moeGao_chi4cav_C":0.2041,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6277,"moe2D_diameter":5,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":9.564,"moe2D_kS_dsCH":0.9618,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.073,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":2.902,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.53,"moe2D_logS":-0.8627,"moe2D_mr":2.692,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":3,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":1,"moe2D_rings":0,"moe2D_vdw_area":119.6,"moe2D_vdw_vol":137.2,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":76.83,"moe2D_vsa_other":22.06,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":35,"moe2D_weinerPol":3,"moe2D_zagreb":18}
{"Molecule":"phenol","moeGao_Abra_L":3.771,"moeGao_Abra_R":0.829,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.433,"moeGao_Abra_pi":0.875,"moe2D_BCUT_PEOE_0":-2.159,"moe2D_BCUT_PEOE_1":-0.6438,"moe2D_BCUT_PEOE_2":0.7022,"moe2D_BCUT_PEOE_3":2.102,"moe2D_BCUT_SLOGP_0":-1.964,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.325,"moe2D_BCUT_SMR_0":-1.838,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.425,"moe2D_GCUT_PEOE_0":-0.7654,"moe2D_GCUT_PEOE_1":-0.3827,"moe2D_GCUT_PEOE_2":0.08214,"moe2D_GCUT_PEOE_3":1.847,"moe2D_GCUT_SLOGP_0":-0.7617,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.047,"moe2D_GCUT_SMR_0":-0.4292,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.146,"moe2D_Kier1":5.143,"moe2D_Kier2":2.344,"moe2D_Kier3":1.5,"moe2D_KierA1":3.459,"moe2D_KierA2":1.452,"moe2D_KierA3":0.8457,"moe2D_KierFlex":0.7177,"moe2D_PEOE_PC.":0.604,"moe2D_PEOE_PC..1":-0.604,"moe2D_PEOE_RPC.":0.3598,"moe2D_PEOE_RPC..1":0.5958,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":29.79,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":36.76,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8343,"moe2D_PEOE_VSA_FNEG":0.6325,"moe2D_PEOE_VSA_FPNEG":0.07116,"moe2D_PEOE_VSA_FPOL":0.1657,"moe2D_PEOE_VSA_FPOS":0.3675,"moe2D_PEOE_VSA_FPPOS":0.09459,"moe2D_PEOE_VSA_HYD":91.06,"moe2D_PEOE_VSA_NEG":69.04,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":40.11,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.282,"moe2D_Q_PC..1":-1.282,"moe2D_Q_RPC.":0.3509,"moe2D_Q_RPC..1":0.4152,"moe2D_Q_VSA_FHYD":0.8343,"moe2D_Q_VSA_FNEG":0.6325,"moe2D_Q_VSA_FPNEG":0.07116,"moe2D_Q_VSA_FPOL":0.1657,"moe2D_Q_VSA_FPOS":0.3675,"moe2D_Q_VSA_FPPOS":0.09459,"moe2D_Q_VSA_HYD":91.06,"moe2D_Q_VSA_NEG":69.04,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":40.11,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":2.811,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":5.243,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.392,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":5.243,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.8631,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.761,"moe2D_VDistMa":5.255,"moe2D_Weight":94.11,"moe2D_a_IC":17.09,"moe2D_a_ICM":1.314,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":7,"moe2D_a_hyd":6,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":15.36,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.215,"moe2D_bpol":6.559,"moe2D_chi0":5.113,"moe2D_chi0_C":4.113,"moe2D_chi0v":3.834,"moe2D_chi0v_C":3.387,"moe2D_chi1":3.394,"moe2D_chi1_C":2.816,"moe2D_chi1v":2.134,"moe2D_chi1v_C":1.911,"moeGao_chi2_C":1.927,"moeGao_chi2v_C":1.077,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.07454,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.894,"moeGao_chi3p_C":1.316,"moeGao_chi3pv":0.7562,"moeGao_chi3pv_C":0.6071,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.307,"moeGao_chi4ca_C":0.8985,"moeGao_chi4cav":0.428,"moeGao_chi4cav_C":0.3419,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.08607,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.685,"moe2D_diameter":4,"moe2D_kS_aaCH":8.713,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.3218,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":8.632,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.598,"moe2D_logS":-1.023,"moe2D_mr":2.905,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":109.2,"moe2D_vdw_vol":137.4,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":87.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":42,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"phenyl","moeGao_Abra_L":7.711,"moeGao_Abra_R":1.6,"moeGao_Abra_acidity":0.155,"moeGao_Abra_basicity":0.424,"moeGao_Abra_pi":1.404,"moe2D_BCUT_PEOE_0":-2.206,"moe2D_BCUT_PEOE_1":-0.6241,"moe2D_BCUT_PEOE_2":0.6749,"moe2D_BCUT_PEOE_3":2.224,"moe2D_BCUT_SLOGP_0":-2.154,"moe2D_BCUT_SLOGP_1":-0.5204,"moe2D_BCUT_SLOGP_2":0.7811,"moe2D_BCUT_SLOGP_3":2.359,"moe2D_BCUT_SMR_0":-1.895,"moe2D_BCUT_SMR_1":-0.4731,"moe2D_BCUT_SMR_2":0.831,"moe2D_BCUT_SMR_3":2.525,"moe2D_GCUT_PEOE_0":-0.7587,"moe2D_GCUT_PEOE_1":-0.4449,"moe2D_GCUT_PEOE_2":0.07553,"moe2D_GCUT_PEOE_3":2.19,"moe2D_GCUT_SLOGP_0":-0.8986,"moe2D_GCUT_SLOGP_1":-0.3199,"moe2D_GCUT_SLOGP_2":0.1602,"moe2D_GCUT_SLOGP_3":2.33,"moe2D_GCUT_SMR_0":-0.428,"moe2D_GCUT_SMR_1":-0.2135,"moe2D_GCUT_SMR_2":0.1846,"moe2D_GCUT_SMR_3":2.48,"moe2D_Kier1":12.46,"moe2D_Kier2":6.074,"moe2D_Kier3":3.495,"moe2D_KierA1":8.448,"moe2D_KierA2":4.001,"moe2D_KierA3":2.252,"moe2D_KierFlex":2.113,"moe2D_PEOE_PC.":1.332,"moe2D_PEOE_PC..1":-1.332,"moe2D_PEOE_RPC.":0.2262,"moe2D_PEOE_RPC..1":0.2696,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":57.51,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":14.71,"moe2D_PEOE_VSA.0.1":49.02,"moe2D_PEOE_VSA.1.1":61.27,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":16.07,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.7745,"moe2D_PEOE_VSA_FNEG":0.619,"moe2D_PEOE_VSA_FPNEG":0.11,"moe2D_PEOE_VSA_FPOL":0.2255,"moe2D_PEOE_VSA_FPOS":0.381,"moe2D_PEOE_VSA_FPPOS":0.1155,"moe2D_PEOE_VSA_HYD":167.8,"moe2D_PEOE_VSA_NEG":134.1,"moe2D_PEOE_VSA_PNEG":23.84,"moe2D_PEOE_VSA_POL":48.87,"moe2D_PEOE_VSA_POS":82.55,"moe2D_PEOE_VSA_PPOS":25.03,"moe2D_Q_PC.":2.685,"moe2D_Q_PC..1":-2.685,"moe2D_Q_RPC.":0.2361,"moe2D_Q_RPC..1":0.2123,"moe2D_Q_VSA_FHYD":0.7745,"moe2D_Q_VSA_FNEG":0.619,"moe2D_Q_VSA_FPNEG":0.11,"moe2D_Q_VSA_FPOL":0.2255,"moe2D_Q_VSA_FPOS":0.381,"moe2D_Q_VSA_FPPOS":0.1155,"moe2D_Q_VSA_HYD":167.8,"moe2D_Q_VSA_NEG":134.1,"moe2D_Q_VSA_PNEG":23.84,"moe2D_Q_VSA_POL":48.87,"moe2D_Q_VSA_POS":82.55,"moe2D_Q_VSA_PPOS":25.03,"moe2D_SMR":5.951,"moe2D_SMR_VSA0":23.86,"moe2D_SMR_VSA1":36.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":13.67,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":158.8,"moe2D_SMR_VSA6":7.745,"moe2D_SMR_VSA7":0,"moe2D_SlogP":2.611,"moe2D_SlogP_VSA0":36.39,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":27.05,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":158.8,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":10.49,"moe2D_TPSA":46.53,"moe2D_VAdjEq":0.5651,"moe2D_VAdjMa":5.087,"moe2D_VDistEq":2.944,"moe2D_VDistMa":7.688,"moe2D_Weight":214.2,"moe2D_a_IC":36.13,"moe2D_a_ICM":1.39,"moe2D_a_acc":2,"moe2D_a_aro":12,"moe2D_a_count":26,"moe2D_a_don":1,"moe2D_a_heavy":16,"moe2D_a_hyd":12,"moe2D_a_nBr":0,"moe2D_a_nC":13,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":10,"moe2D_a_nN":0,"moe2D_a_nO":3,"moe2D_apol":31.95,"moe2D_b_1rotN":2,"moe2D_b_1rotR":0.1176,"moe2D_b_ar":12,"moe2D_b_count":27,"moe2D_b_double":1,"moe2D_b_heavy":17,"moe2D_b_rotN":3,"moe2D_b_rotR":0.1765,"moe2D_b_single":14,"moe2D_b_triple":0,"moe2D_balabanJ":1.799,"moe2D_bpol":13.81,"moe2D_chi0":11.38,"moe2D_chi0_C":8.673,"moe2D_chi0v":8.46,"moe2D_chi0v_C":7.196,"moe2D_chi1":7.771,"moe2D_chi1_C":5.8,"moe2D_chi1v":4.824,"moe2D_chi1v_C":3.988,"moeGao_chi2_C":4.111,"moeGao_chi2v_C":2.354,"moeGao_chi3c":0.8116,"moeGao_chi3c_C":0.1361,"moeGao_chi3cv":0.2464,"moeGao_chi3cv_C":0.07217,"moeGao_chi3p":5.339,"moeGao_chi3p_C":2.777,"moeGao_chi3pv":2.078,"moeGao_chi3pv_C":1.316,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":4.314,"moeGao_chi4ca_C":1.873,"moeGao_chi4cav":1.297,"moeGao_chi4cav_C":0.7353,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.876,"moeGao_chi4pc_C":0.1925,"moeGao_chi4pcv":0.4597,"moeGao_chi4pcv_C":0.08333,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7422,"moe2D_diameter":9,"moe2D_kS_aaCH":15.01,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0.5329,"moe2D_kS_dCH2":0,"moe2D_kS_dO":11.65,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.5655,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.458,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":5.082,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.191,"moe2D_logS":-3.137,"moe2D_mr":6.112,"moe2D_opr_brigid":12,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.4444,"moe2D_petitjeanSC":0.8,"moe2D_radius":5,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":216.7,"moe2D_vdw_vol":288.6,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":161.4,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":27.13,"moe2D_weinerPath":459,"moe2D_weinerPol":21,"moe2D_zagreb":78}
{"Molecule":"phthalazine","moeGao_Abra_L":5.401,"moeGao_Abra_R":1.44,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.685,"moeGao_Abra_pi":1.289,"moe2D_BCUT_PEOE_0":-2.155,"moe2D_BCUT_PEOE_1":-0.583,"moe2D_BCUT_PEOE_2":0.5929,"moe2D_BCUT_PEOE_3":2.125,"moe2D_BCUT_SLOGP_0":-1.995,"moe2D_BCUT_SLOGP_1":-0.5503,"moe2D_BCUT_SLOGP_2":0.6917,"moe2D_BCUT_SLOGP_3":2.315,"moe2D_BCUT_SMR_0":-1.816,"moe2D_BCUT_SMR_1":-0.4002,"moe2D_BCUT_SMR_2":0.7717,"moe2D_BCUT_SMR_3":2.471,"moe2D_GCUT_PEOE_0":-0.7448,"moe2D_GCUT_PEOE_1":-0.4021,"moe2D_GCUT_PEOE_2":0.06121,"moe2D_GCUT_PEOE_3":2.044,"moe2D_GCUT_SLOGP_0":-0.8551,"moe2D_GCUT_SLOGP_1":-0.3036,"moe2D_GCUT_SLOGP_2":0.1413,"moe2D_GCUT_SLOGP_3":2.207,"moe2D_GCUT_SMR_0":-0.4005,"moe2D_GCUT_SMR_1":-0.2026,"moe2D_GCUT_SMR_2":0.1795,"moe2D_GCUT_SMR_3":2.37,"moe2D_Kier1":6.694,"moe2D_Kier2":2.939,"moe2D_Kier3":1.383,"moe2D_KierA1":4.136,"moe2D_KierA2":1.704,"moe2D_KierA3":0.7602,"moe2D_KierFlex":0.7048,"moe2D_PEOE_PC.":0.5414,"moe2D_PEOE_PC..1":-0.5414,"moe2D_PEOE_RPC.":0.1578,"moe2D_PEOE_RPC..1":0.2902,"moe2D_PEOE_VSA.0":4.417,"moe2D_PEOE_VSA.1":59.08,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":49.02,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":18.84,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.5166,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.4834,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":131.4,"moe2D_PEOE_VSA_NEG":67.86,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":63.5,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.22,"moe2D_Q_PC..1":-1.22,"moe2D_Q_RPC.":0.1311,"moe2D_Q_RPC..1":0.2541,"moe2D_Q_VSA_FHYD":0.8566,"moe2D_Q_VSA_FNEG":0.5166,"moe2D_Q_VSA_FPNEG":0.1434,"moe2D_Q_VSA_FPOL":0.1434,"moe2D_Q_VSA_FPOS":0.4834,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":112.5,"moe2D_Q_VSA_NEG":67.86,"moe2D_Q_VSA_PNEG":18.84,"moe2D_Q_VSA_POL":18.84,"moe2D_Q_VSA_POS":63.5,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.954,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":33.33,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":5.146,"moe2D_SMR_VSA5":105,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.63,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":33.33,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":110.1,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":25.78,"moe2D_VAdjEq":0.7602,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.117,"moe2D_VDistMa":6.334,"moe2D_Weight":130.1,"moe2D_a_IC":22.49,"moe2D_a_ICM":1.406,"moe2D_a_acc":2,"moe2D_a_aro":10,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":2,"moe2D_a_nO":0,"moe2D_apol":20.28,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":11,"moe2D_b_count":17,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":6,"moe2D_b_triple":0,"moe2D_balabanJ":1.973,"moe2D_bpol":7.879,"moe2D_chi0":6.812,"moe2D_chi0_C":5.397,"moe2D_chi0v":5.359,"moe2D_chi0v_C":4.464,"moe2D_chi1":4.966,"moe2D_chi1_C":3.466,"moe2D_chi1v":3.121,"moe2D_chi1v_C":2.405,"moeGao_chi2_C":2.805,"moeGao_chi2v_C":1.629,"moeGao_chi3c":0.3333,"moeGao_chi3c_C":0.3333,"moeGao_chi3cv":0.1667,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":3.466,"moeGao_chi3p_C":2.066,"moeGao_chi3pv":1.456,"moeGao_chi3pv_C":0.996,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.858,"moeGao_chi4ca_C":1.284,"moeGao_chi4cav":0.9371,"moeGao_chi4cav_C":0.5109,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.9428,"moeGao_chi4pc_C":0.7071,"moeGao_chi4pcv":0.3632,"moeGao_chi4pcv_C":0.2887,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.7154,"moe2D_diameter":5,"moe2D_kS_aaCH":11.53,"moe2D_kS_aaN":7.526,"moe2D_kS_aaaC":2.273,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.132,"moe2D_logS":-1.997,"moe2D_mr":4.031,"moe2D_opr_brigid":11,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":131.4,"moe2D_vdw_vol":181.9,"moe2D_vsa_acc":18.84,"moe2D_vsa_don":0,"moe2D_vsa_hyd":108.3,"moe2D_vsa_other":0,"moe2D_vsa_pol":18.84,"moe2D_weinerPath":109,"moe2D_weinerPol":12,"moe2D_zagreb":50}
{"Molecule":"propargyl","moeGao_Abra_L":1.965,"moeGao_Abra_R":0.389,"moeGao_Abra_acidity":0.457,"moeGao_Abra_basicity":0.434,"moeGao_Abra_pi":0.592,"moe2D_BCUT_PEOE_0":-2.12,"moe2D_BCUT_PEOE_1":-0.5494,"moe2D_BCUT_PEOE_2":0.5773,"moe2D_BCUT_PEOE_3":2.103,"moe2D_BCUT_SLOGP_0":-2.235,"moe2D_BCUT_SLOGP_1":-0.6051,"moe2D_BCUT_SLOGP_2":0.4516,"moe2D_BCUT_SLOGP_3":1.986,"moe2D_BCUT_SMR_0":-1.886,"moe2D_BCUT_SMR_1":-0.41,"moe2D_BCUT_SMR_2":0.7167,"moe2D_BCUT_SMR_3":2.323,"moe2D_GCUT_PEOE_0":-0.7738,"moe2D_GCUT_PEOE_1":-0.362,"moe2D_GCUT_PEOE_2":0.1398,"moe2D_GCUT_PEOE_3":1.407,"moe2D_GCUT_SLOGP_0":-0.878,"moe2D_GCUT_SLOGP_1":-0.3846,"moe2D_GCUT_SLOGP_2":-0.01213,"moe2D_GCUT_SLOGP_3":1.346,"moe2D_GCUT_SMR_0":-0.4886,"moe2D_GCUT_SMR_1":-0.191,"moe2D_GCUT_SMR_2":0.2106,"moe2D_GCUT_SMR_3":1.65,"moe2D_Kier1":4,"moe2D_Kier2":3,"moe2D_Kier3":4,"moe2D_KierA1":2.592,"moe2D_KierA2":1.558,"moe2D_KierA3":1.363,"moe2D_KierFlex":1.009,"moe2D_PEOE_PC.":0.577,"moe2D_PEOE_PC..1":-0.577,"moe2D_PEOE_RPC.":0.3651,"moe2D_PEOE_RPC..1":0.6629,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":8.531,"moe2D_PEOE_VSA.2":19.22,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":15.81,"moe2D_PEOE_VSA.2.1":25.85,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.7932,"moe2D_PEOE_VSA_FNEG":0.5649,"moe2D_PEOE_VSA_FPNEG":0.08877,"moe2D_PEOE_VSA_FPOL":0.2068,"moe2D_PEOE_VSA_FPOS":0.4351,"moe2D_PEOE_VSA_FPPOS":0.118,"moe2D_PEOE_VSA_HYD":69.41,"moe2D_PEOE_VSA_NEG":49.43,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":38.07,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.057,"moe2D_Q_PC..1":-1.057,"moe2D_Q_RPC.":0.4541,"moe2D_Q_RPC..1":0.6433,"moe2D_Q_VSA_FHYD":0.6224,"moe2D_Q_VSA_FNEG":0.5649,"moe2D_Q_VSA_FPNEG":0.08877,"moe2D_Q_VSA_FPOL":0.3776,"moe2D_Q_VSA_FPOS":0.4351,"moe2D_Q_VSA_FPPOS":0.2889,"moe2D_Q_VSA_HYD":54.46,"moe2D_Q_VSA_NEG":49.43,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":33.04,"moe2D_Q_VSA_POS":38.07,"moe2D_Q_VSA_PPOS":25.28,"moe2D_SMR":1.592,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":17.03,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":52.41,"moe2D_SMR_VSA7":0,"moe2D_SlogP":-0.3881,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":37.96,"moe2D_SlogP_VSA4":31.49,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1.459,"moe2D_VDistMa":3.446,"moe2D_Weight":56.06,"moe2D_a_IC":11.25,"moe2D_a_ICM":1.406,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":8,"moe2D_a_don":1,"moe2D_a_heavy":4,"moe2D_a_hyd":3,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":4,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":8.749,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":7,"moe2D_b_double":0,"moe2D_b_heavy":3,"moe2D_b_rotN":1,"moe2D_b_rotR":0.3333,"moe2D_b_single":6,"moe2D_b_triple":1,"moe2D_balabanJ":2.145,"moe2D_bpol":4.373,"moe2D_chi0":3.414,"moe2D_chi0_C":2.414,"moe2D_chi0v":2.232,"moe2D_chi0v_C":1.784,"moe2D_chi1":1.914,"moe2D_chi1_C":1.207,"moe2D_chi1v":0.9585,"moe2D_chi1v_C":0.6422,"moeGao_chi2_C":0.5,"moeGao_chi2v_C":0.2041,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.09129,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6682,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":7.639,"moe2D_kS_ssCH2":-0.1528,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":4.528,"moe2D_kS_tNH":0,"moe2D_kS_tsC":1.986,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":-0.098,"moe2D_logS":-0.3067,"moe2D_mr":1.667,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":87.5,"moe2D_vdw_vol":83.9,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":67.28,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":10,"moe2D_weinerPol":1,"moe2D_zagreb":10}
{"Molecule":"propionitrile","moeGao_Abra_L":2.039,"moeGao_Abra_R":0.184,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.348,"moeGao_Abra_pi":0.93,"moe2D_BCUT_PEOE_0":-2.307,"moe2D_BCUT_PEOE_1":-0.1635,"moe2D_BCUT_PEOE_2":0.1641,"moe2D_BCUT_PEOE_3":2.319,"moe2D_BCUT_SLOGP_0":-2.185,"moe2D_BCUT_SLOGP_1":-0.05815,"moe2D_BCUT_SLOGP_2":0.2467,"moe2D_BCUT_SLOGP_3":2.44,"moe2D_BCUT_SMR_0":-2.098,"moe2D_BCUT_SMR_1":-0.00825,"moe2D_BCUT_SMR_2":0.2986,"moe2D_BCUT_SMR_3":2.532,"moe2D_GCUT_PEOE_0":-0.7352,"moe2D_GCUT_PEOE_1":-0.2463,"moe2D_GCUT_PEOE_2":-0.04626,"moe2D_GCUT_PEOE_3":1.603,"moe2D_GCUT_SLOGP_0":-0.6099,"moe2D_GCUT_SLOGP_1":-0.1408,"moe2D_GCUT_SLOGP_2":0.03991,"moe2D_GCUT_SLOGP_3":1.711,"moe2D_GCUT_SMR_0":-0.5106,"moe2D_GCUT_SMR_1":-0.09589,"moe2D_GCUT_SMR_2":0.06725,"moe2D_GCUT_SMR_3":1.805,"moe2D_Kier1":4,"moe2D_Kier2":3,"moe2D_Kier3":4,"moe2D_KierA1":2.484,"moe2D_KierA2":1.456,"moe2D_KierA3":1.201,"moe2D_KierFlex":0.9038,"moe2D_PEOE_PC.":0.249,"moe2D_PEOE_PC..1":-0.249,"moe2D_PEOE_RPC.":0.25,"moe2D_PEOE_RPC..1":0.7895,"moe2D_PEOE_VSA.0":30.03,"moe2D_PEOE_VSA.1":20.3,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":17.74,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.4203,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.5797,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":86.82,"moe2D_PEOE_VSA_NEG":36.49,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":50.33,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.5571,"moe2D_Q_PC..1":-0.5571,"moe2D_Q_RPC.":0.641,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.5618,"moe2D_Q_VSA_FNEG":0.2044,"moe2D_Q_VSA_FPNEG":0.2044,"moe2D_Q_VSA_FPOL":0.4382,"moe2D_Q_VSA_FPOS":0.7956,"moe2D_Q_VSA_FPPOS":0.2338,"moe2D_Q_VSA_HYD":48.78,"moe2D_Q_VSA_NEG":17.74,"moe2D_Q_VSA_PNEG":17.74,"moe2D_Q_VSA_POL":38.04,"moe2D_Q_VSA_POS":69.08,"moe2D_Q_VSA_PPOS":20.3,"moe2D_SMR":1.59,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":31.06,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":16.6,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":0.92,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":47.66,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":23.79,"moe2D_VAdjEq":0.9544,"moe2D_VAdjMa":2.585,"moe2D_VDistEq":1.459,"moe2D_VDistMa":3.446,"moe2D_Weight":55.08,"moe2D_a_IC":12.16,"moe2D_a_ICM":1.352,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":9,"moe2D_a_don":0,"moe2D_a_heavy":4,"moe2D_a_hyd":2,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":9.714,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":8,"moe2D_b_double":0,"moe2D_b_heavy":3,"moe2D_b_rotN":1,"moe2D_b_rotR":0.3333,"moe2D_b_single":7,"moe2D_b_triple":1,"moe2D_balabanJ":2.145,"moe2D_bpol":6.126,"moe2D_chi0":3.414,"moe2D_chi0_C":2.414,"moe2D_chi0v":2.654,"moe2D_chi0v_C":2.207,"moe2D_chi1":1.914,"moe2D_chi1_C":1.207,"moe2D_chi1v":1.284,"moe2D_chi1v_C":1.061,"moeGao_chi2_C":0.5,"moeGao_chi2v_C":0.3536,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.1581,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6246,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":1.819,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0.625,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":7.625,"moe2D_kS_tsC":1.931,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.379,"moe2D_logS":-0.177,"moe2D_mr":1.795,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":86.82,"moe2D_vdw_vol":88.18,"moe2D_vsa_acc":17.74,"moe2D_vsa_don":0,"moe2D_vsa_hyd":45.22,"moe2D_vsa_other":20.3,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":10,"moe2D_weinerPol":1,"moe2D_zagreb":10}
{"Molecule":"pyridine","moeGao_Abra_L":3.049,"moeGao_Abra_R":0.634,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.447,"moeGao_Abra_pi":0.75,"moe2D_BCUT_PEOE_0":-2.086,"moe2D_BCUT_PEOE_1":-0.5925,"moe2D_BCUT_PEOE_2":0.6754,"moe2D_BCUT_PEOE_3":2.034,"moe2D_BCUT_SLOGP_0":-1.956,"moe2D_BCUT_SLOGP_1":-0.5051,"moe2D_BCUT_SLOGP_2":0.7627,"moe2D_BCUT_SLOGP_3":2.179,"moe2D_BCUT_SMR_0":-1.775,"moe2D_BCUT_SMR_1":-0.4656,"moe2D_BCUT_SMR_2":0.8095,"moe2D_BCUT_SMR_3":2.346,"moe2D_GCUT_PEOE_0":-0.7515,"moe2D_GCUT_PEOE_1":-0.3555,"moe2D_GCUT_PEOE_2":0.08423,"moe2D_GCUT_PEOE_3":1.727,"moe2D_GCUT_SLOGP_0":-0.7242,"moe2D_GCUT_SLOGP_1":-0.2591,"moe2D_GCUT_SLOGP_2":0.1555,"moe2D_GCUT_SLOGP_3":1.857,"moe2D_GCUT_SMR_0":-0.4076,"moe2D_GCUT_SMR_1":-0.2042,"moe2D_GCUT_SMR_2":0.1813,"moe2D_GCUT_SMR_3":2.021,"moe2D_Kier1":4.167,"moe2D_Kier2":2.222,"moe2D_Kier3":1.333,"moe2D_KierA1":2.514,"moe2D_KierA2":1.174,"moe2D_KierA3":0.6124,"moe2D_KierFlex":0.492,"moe2D_PEOE_PC.":0.4093,"moe2D_PEOE_PC..1":-0.4093,"moe2D_PEOE_RPC.":0.2026,"moe2D_PEOE_RPC..1":0.6431,"moe2D_PEOE_VSA.0":33.49,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":12.25,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":5.683,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9416,"moe2D_PEOE_VSA_FNEG":0.4364,"moe2D_PEOE_VSA_FPNEG":0.05842,"moe2D_PEOE_VSA_FPOL":0.05842,"moe2D_PEOE_VSA_FPOS":0.5636,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":91.58,"moe2D_PEOE_VSA_NEG":42.45,"moe2D_PEOE_VSA_PNEG":5.683,"moe2D_PEOE_VSA_POL":5.683,"moe2D_PEOE_VSA_POS":54.82,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.07,"moe2D_Q_PC..1":-1.07,"moe2D_Q_RPC.":0.1495,"moe2D_Q_RPC..1":0.5794,"moe2D_Q_VSA_FHYD":0.9416,"moe2D_Q_VSA_FNEG":0.4364,"moe2D_Q_VSA_FPNEG":0.05842,"moe2D_Q_VSA_FPOL":0.05842,"moe2D_Q_VSA_FPOS":0.5636,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":91.58,"moe2D_Q_VSA_NEG":42.45,"moe2D_Q_VSA_PNEG":5.683,"moe2D_Q_VSA_POL":5.683,"moe2D_Q_VSA_POS":54.82,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":2.424,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":87.36,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":1.082,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":87.36,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":12.89,"moe2D_VAdjEq":0.9183,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.782,"moe2D_Weight":79.1,"moe2D_a_IC":14.83,"moe2D_a_ICM":1.349,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":11,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":5,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":5,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":13.23,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":11,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":5,"moe2D_b_triple":0,"moe2D_balabanJ":2.118,"moe2D_bpol":6.786,"moe2D_chi0":4.243,"moe2D_chi0_C":3.536,"moe2D_chi0v":3.334,"moe2D_chi0v_C":2.887,"moe2D_chi1":3,"moe2D_chi1_C":2,"moe2D_chi1v":1.85,"moe2D_chi1v_C":1.333,"moeGao_chi2_C":1.061,"moeGao_chi2v_C":0.5774,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.5,"moeGao_chi3p_C":0.5,"moeGao_chi3pv":0.5665,"moeGao_chi3pv_C":0.2222,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.061,"moeGao_chi4ca_C":0.1768,"moeGao_chi4cav":0.3126,"moeGao_chi4cav_C":0.06415,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6603,"moe2D_diameter":3,"moe2D_kS_aaCH":9.215,"moe2D_kS_aaN":3.785,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.674,"moe2D_logS":-0.1267,"moe2D_mr":2.603,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0,"moe2D_petitjeanSC":0,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":97.27,"moe2D_vdw_vol":119.8,"moe2D_vsa_acc":5.683,"moe2D_vsa_don":0,"moe2D_vsa_hyd":88.02,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":27,"moe2D_weinerPol":3,"moe2D_zagreb":24}
{"Molecule":"quinoline","moeGao_Abra_L":5.475,"moeGao_Abra_R":1.37,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.507,"moeGao_Abra_pi":1.092,"moe2D_BCUT_PEOE_0":-2.171,"moe2D_BCUT_PEOE_1":-0.6281,"moe2D_BCUT_PEOE_2":0.6689,"moe2D_BCUT_PEOE_3":2.129,"moe2D_BCUT_SLOGP_0":-1.994,"moe2D_BCUT_SLOGP_1":-0.5292,"moe2D_BCUT_SLOGP_2":0.769,"moe2D_BCUT_SLOGP_3":2.321,"moe2D_BCUT_SMR_0":-1.829,"moe2D_BCUT_SMR_1":-0.47,"moe2D_BCUT_SMR_2":0.8323,"moe2D_BCUT_SMR_3":2.479,"moe2D_GCUT_PEOE_0":-0.7427,"moe2D_GCUT_PEOE_1":-0.3942,"moe2D_GCUT_PEOE_2":0.07938,"moe2D_GCUT_PEOE_3":2.071,"moe2D_GCUT_SLOGP_0":-0.7062,"moe2D_GCUT_SLOGP_1":-0.2764,"moe2D_GCUT_SLOGP_2":0.1599,"moe2D_GCUT_SLOGP_3":2.246,"moe2D_GCUT_SMR_0":-0.402,"moe2D_GCUT_SMR_1":-0.204,"moe2D_GCUT_SMR_2":0.1949,"moe2D_GCUT_SMR_3":2.401,"moe2D_Kier1":6.694,"moe2D_Kier2":2.939,"moe2D_Kier3":1.383,"moe2D_KierA1":4.199,"moe2D_KierA2":1.733,"moe2D_KierA3":0.7749,"moe2D_KierFlex":0.728,"moe2D_PEOE_PC.":0.5582,"moe2D_PEOE_PC..1":-0.5582,"moe2D_PEOE_RPC.":0.1486,"moe2D_PEOE_RPC..1":0.4568,"moe2D_PEOE_VSA.0":18.95,"moe2D_PEOE_VSA.1":36.56,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":24.51,"moe2D_PEOE_VSA.1.1":49.02,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":5.683,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":0.9578,"moe2D_PEOE_VSA_FNEG":0.588,"moe2D_PEOE_VSA_FPNEG":0.04218,"moe2D_PEOE_VSA_FPOL":0.04218,"moe2D_PEOE_VSA_FPOS":0.412,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":129,"moe2D_PEOE_VSA_NEG":79.21,"moe2D_PEOE_VSA_PNEG":5.683,"moe2D_PEOE_VSA_POL":5.683,"moe2D_PEOE_VSA_POS":55.51,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.52,"moe2D_Q_PC..1":-1.52,"moe2D_Q_RPC.":0.2039,"moe2D_Q_RPC..1":0.4079,"moe2D_Q_VSA_FHYD":0.9081,"moe2D_Q_VSA_FNEG":0.588,"moe2D_Q_VSA_FPNEG":0.04218,"moe2D_Q_VSA_FPOL":0.09191,"moe2D_Q_VSA_FPOS":0.412,"moe2D_Q_VSA_FPPOS":0.04973,"moe2D_Q_VSA_HYD":122.3,"moe2D_Q_VSA_NEG":79.21,"moe2D_Q_VSA_PNEG":5.683,"moe2D_Q_VSA_POL":12.38,"moe2D_Q_VSA_POS":55.51,"moe2D_Q_VSA_PPOS":6.7,"moe2D_SMR":4.174,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":16.79,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":4.717,"moe2D_SMR_VSA5":123.1,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":0,"moe2D_SlogP":2.235,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":16.79,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":127.8,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":12.89,"moe2D_VAdjEq":0.7602,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.117,"moe2D_VDistMa":6.334,"moe2D_Weight":129.2,"moe2D_a_IC":21.31,"moe2D_a_ICM":1.253,"moe2D_a_acc":1,"moe2D_a_aro":10,"moe2D_a_count":17,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":7,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":21.61,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":11,"moe2D_b_count":18,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":1.973,"moe2D_bpol":8.972,"moe2D_chi0":6.812,"moe2D_chi0_C":6.104,"moe2D_chi0v":5.489,"moe2D_chi0v_C":5.041,"moe2D_chi1":4.966,"moe2D_chi1_C":4.058,"moe2D_chi1v":3.264,"moe2D_chi1v_C":2.783,"moeGao_chi2_C":2.922,"moeGao_chi2v_C":1.677,"moeGao_chi3c":0.3333,"moeGao_chi3c_C":0.1667,"moeGao_chi3cv":0.1479,"moeGao_chi3cv_C":0.08333,"moeGao_chi3p":3.466,"moeGao_chi3p_C":2.104,"moeGao_chi3pv":1.512,"moeGao_chi3pv_C":1.009,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.858,"moeGao_chi4ca_C":1.547,"moeGao_chi4cav":1.016,"moeGao_chi4cav_C":0.6146,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.9428,"moeGao_chi4pc_C":0.3536,"moeGao_chi4pcv":0.3307,"moeGao_chi4pcv_C":0.1443,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6734,"moe2D_diameter":5,"moe2D_kS_aaCH":13.89,"moe2D_kS_aaN":4.181,"moe2D_kS_aaaC":2.259,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.108,"moe2D_logS":-1.973,"moe2D_mr":4.204,"moe2D_opr_brigid":11,"moe2D_opr_leadlike":1,"moe2D_opr_nring":2,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":2,"moe2D_vdw_area":134.7,"moe2D_vdw_vol":191.8,"moe2D_vsa_acc":5.683,"moe2D_vsa_don":0,"moe2D_vsa_hyd":124.1,"moe2D_vsa_other":0,"moe2D_vsa_pol":5.683,"moe2D_weinerPath":109,"moe2D_weinerPol":12,"moe2D_zagreb":50}
{"Molecule":"sec-butylamine","moeGao_Abra_L":2.551,"moeGao_Abra_R":0.214,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.577,"moeGao_Abra_pi":0.338,"moe2D_BCUT_PEOE_0":-2.616,"moe2D_BCUT_PEOE_1":0.02303,"moe2D_BCUT_PEOE_2":0.1185,"moe2D_BCUT_PEOE_3":2.539,"moe2D_BCUT_SLOGP_0":-2.718,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.2142,"moe2D_BCUT_SLOGP_3":2.59,"moe2D_BCUT_SMR_0":-2.355,"moe2D_BCUT_SMR_1":0.09627,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.796,"moe2D_GCUT_PEOE_0":-0.8412,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.04154,"moe2D_GCUT_PEOE_3":2.033,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":0.0542,"moe2D_GCUT_SLOGP_3":2.083,"moe2D_GCUT_SMR_0":-0.525,"moe2D_GCUT_SMR_1":-0.06373,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.253,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":5,"moe2D_KierA2":2.25,"moe2D_KierA3":4,"moe2D_KierFlex":2.25,"moe2D_PEOE_PC.":0.4822,"moe2D_PEOE_PC..1":-0.4822,"moe2D_PEOE_RPC.":0.2457,"moe2D_PEOE_RPC..1":0.6793,"moe2D_PEOE_VSA.0":41.53,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":27.45,"moe2D_PEOE_VSA.1.1":18.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9404,"moe2D_PEOE_VSA_FNEG":0.4735,"moe2D_PEOE_VSA_FPNEG":0.05959,"moe2D_PEOE_VSA_FPOL":0.05959,"moe2D_PEOE_VSA_FPOS":0.5265,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":105,"moe2D_PEOE_VSA_NEG":52.85,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":58.77,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.7578,"moe2D_Q_VSA_FNEG":0.05959,"moe2D_Q_VSA_FPNEG":0.05959,"moe2D_Q_VSA_FPOL":0.2422,"moe2D_Q_VSA_FPOS":0.9404,"moe2D_Q_VSA_FPPOS":0.1826,"moe2D_Q_VSA_HYD":84.59,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":27.04,"moe2D_Q_VSA_POS":105,"moe2D_Q_VSA_PPOS":20.38,"moe2D_SMR":2.394,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.982,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":66.65,"moe2D_SlogP":0.7436,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":3.982,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":66.65,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":73.14,"moe2D_a_IC":17.95,"moe2D_a_ICM":1.122,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":16,"moe2D_a_don":1,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":11,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":15.47,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.25,"moe2D_b_ar":0,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":4,"moe2D_b_rotN":1,"moe2D_b_rotR":0.25,"moe2D_b_single":15,"moe2D_b_triple":0,"moe2D_balabanJ":2.54,"moe2D_bpol":11.37,"moe2D_chi0":4.284,"moe2D_chi0_C":3.284,"moe2D_chi0v":3.862,"moe2D_chi0v_C":3.284,"moe2D_chi1":2.27,"moe2D_chi1_C":1.693,"moe2D_chi1v":2.026,"moe2D_chi1v_C":1.693,"moeGao_chi2_C":0.8165,"moeGao_chi2v_C":0.8165,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.2357,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0.4082,"moeGao_chi3pv":0.644,"moeGao_chi3pv_C":0.4082,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.2357,"moeGao_chi4pcv_C":0,"moe2D_chiral":1,"moe2D_chiral_u":1,"moe2D_density":0.5792,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":4.074,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.292,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.083,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.3843,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.791,"moe2D_logS":-0.1381,"moe2D_mr":2.341,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":111.6,"moe2D_vdw_vol":126.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":81.32,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"styrene","moeGao_Abra_L":3.812,"moeGao_Abra_R":0.791,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.156,"moeGao_Abra_pi":0.593,"moe2D_BCUT_PEOE_0":-2.196,"moe2D_BCUT_PEOE_1":-0.6486,"moe2D_BCUT_PEOE_2":0.698,"moe2D_BCUT_PEOE_3":2.124,"moe2D_BCUT_SLOGP_0":-2,"moe2D_BCUT_SLOGP_1":-0.5381,"moe2D_BCUT_SLOGP_2":0.8059,"moe2D_BCUT_SLOGP_3":2.32,"moe2D_BCUT_SMR_0":-1.85,"moe2D_BCUT_SMR_1":-0.4999,"moe2D_BCUT_SMR_2":0.8543,"moe2D_BCUT_SMR_3":2.476,"moe2D_GCUT_PEOE_0":-0.7588,"moe2D_GCUT_PEOE_1":-0.389,"moe2D_GCUT_PEOE_2":0.07968,"moe2D_GCUT_PEOE_3":1.948,"moe2D_GCUT_SLOGP_0":-0.5561,"moe2D_GCUT_SLOGP_1":-0.2639,"moe2D_GCUT_SLOGP_2":0.1645,"moe2D_GCUT_SLOGP_3":2.131,"moe2D_GCUT_SMR_0":-0.4021,"moe2D_GCUT_SMR_1":-0.2161,"moe2D_GCUT_SMR_2":0.1931,"moe2D_GCUT_SMR_3":2.271,"moe2D_Kier1":6.125,"moe2D_Kier2":3.111,"moe2D_Kier3":1.8,"moe2D_KierA1":3.863,"moe2D_KierA2":1.81,"moe2D_KierA3":0.9742,"moe2D_KierFlex":0.8741,"moe2D_PEOE_PC.":0.4788,"moe2D_PEOE_PC..1":-0.4788,"moe2D_PEOE_RPC.":0.1302,"moe2D_PEOE_RPC..1":0.205,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":34.12,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":2.209,"moe2D_PEOE_VSA.1.1":95.83,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7418,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2582,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":132.2,"moe2D_PEOE_VSA_NEG":98.04,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":34.12,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.228,"moe2D_Q_PC..1":-1.228,"moe2D_Q_RPC.":0.1221,"moe2D_Q_RPC..1":0.2442,"moe2D_Q_VSA_FHYD":0.8313,"moe2D_Q_VSA_FNEG":0.7251,"moe2D_Q_VSA_FPNEG":0.1687,"moe2D_Q_VSA_FPOL":0.1687,"moe2D_Q_VSA_FPOS":0.2749,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":109.9,"moe2D_Q_VSA_NEG":95.83,"moe2D_Q_VSA_PNEG":22.3,"moe2D_Q_VSA_POL":22.3,"moe2D_Q_VSA_POS":36.33,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.653,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":17.64,"moe2D_SMR_VSA7":32.1,"moe2D_SlogP":2.33,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":17.64,"moe2D_SlogP_VSA9":32.1,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8113,"moe2D_VAdjMa":4,"moe2D_VDistEq":2.06,"moe2D_VDistMa":5.642,"moe2D_Weight":104.2,"moe2D_a_IC":16,"moe2D_a_ICM":1,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":16,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":19.41,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.125,"moe2D_b_ar":6,"moe2D_b_count":16,"moe2D_b_double":1,"moe2D_b_heavy":8,"moe2D_b_rotN":1,"moe2D_b_rotR":0.125,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":2.2,"moe2D_bpol":8.746,"moe2D_chi0":5.82,"moe2D_chi0_C":5.82,"moe2D_chi0v":4.671,"moe2D_chi0v_C":4.671,"moe2D_chi1":3.932,"moe2D_chi1_C":3.932,"moe2D_chi1v":2.608,"moe2D_chi1v_C":2.608,"moeGao_chi2_C":2.912,"moeGao_chi2v_C":1.615,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0.2041,"moeGao_chi3cv":0.09623,"moeGao_chi3cv_C":0.09623,"moeGao_chi3p":2.302,"moeGao_chi3p_C":2.302,"moeGao_chi3pv":1.035,"moeGao_chi3pv_C":1.035,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.595,"moeGao_chi4ca_C":1.595,"moeGao_chi4cav":0.5891,"moeGao_chi4cav_C":0.5891,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4928,"moeGao_chi4pc_C":0.4928,"moeGao_chi4pcv":0.1792,"moeGao_chi4pcv_C":0.1792,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6061,"moe2D_diameter":5,"moe2D_kS_aaCH":10.03,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.174,"moe2D_kS_dCH2":3.631,"moe2D_kS_dO":0,"moe2D_kS_dsCH":1.833,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.082,"moe2D_logS":-2.482,"moe2D_mr":3.604,"moe2D_opr_brigid":7,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":132.2,"moe2D_vdw_vol":171.8,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":126.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":64,"moe2D_weinerPol":7,"moe2D_zagreb":34}
{"Molecule":"tert-butylacetate","moeGao_Abra_L":2.946,"moeGao_Abra_R":0.285,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.475,"moeGao_Abra_pi":0.479,"moe2D_BCUT_PEOE_0":-2.6,"moe2D_BCUT_PEOE_1":0.02573,"moe2D_BCUT_PEOE_2":0.03302,"moe2D_BCUT_PEOE_3":2.588,"moe2D_BCUT_SLOGP_0":-2.589,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.617,"moe2D_BCUT_SMR_0":-2.369,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.819,"moe2D_GCUT_PEOE_0":-0.7757,"moe2D_GCUT_PEOE_1":-0.1343,"moe2D_GCUT_PEOE_2":-0.127,"moe2D_GCUT_PEOE_3":2.169,"moe2D_GCUT_SLOGP_0":-0.8455,"moe2D_GCUT_SLOGP_1":-0.1102,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.208,"moe2D_GCUT_SMR_0":-0.5253,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.376,"moe2D_Kier1":8,"moe2D_Kier2":2.52,"moe2D_Kier3":7.2,"moe2D_KierA1":7.054,"moe2D_KierA2":2.177,"moe2D_KierA3":6.108,"moe2D_KierFlex":1.919,"moe2D_PEOE_PC.":0.6821,"moe2D_PEOE_PC..1":-0.6821,"moe2D_PEOE_RPC.":0.3805,"moe2D_PEOE_RPC..1":0.4539,"moe2D_PEOE_VSA.0":69.93,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":14.71,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":56.24,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":13.57,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.8039,"moe2D_PEOE_VSA_FNEG":0.4607,"moe2D_PEOE_VSA_FPNEG":0.1024,"moe2D_PEOE_VSA_FPOL":0.1961,"moe2D_PEOE_VSA_FPOS":0.5393,"moe2D_PEOE_VSA_FPPOS":0.09371,"moe2D_PEOE_VSA_HYD":126.2,"moe2D_PEOE_VSA_NEG":72.31,"moe2D_PEOE_VSA_PNEG":16.07,"moe2D_PEOE_VSA_POL":30.78,"moe2D_PEOE_VSA_POS":84.64,"moe2D_PEOE_VSA_PPOS":14.71,"moe2D_Q_PC.":1,"moe2D_Q_PC..1":-1,"moe2D_Q_RPC.":0.659,"moe2D_Q_RPC..1":0.57,"moe2D_Q_VSA_FHYD":0.8039,"moe2D_Q_VSA_FNEG":0.1024,"moe2D_Q_VSA_FPNEG":0.1024,"moe2D_Q_VSA_FPOL":0.1961,"moe2D_Q_VSA_FPOS":0.8976,"moe2D_Q_VSA_FPPOS":0.09371,"moe2D_Q_VSA_HYD":126.2,"moe2D_Q_VSA_NEG":16.07,"moe2D_Q_VSA_PNEG":16.07,"moe2D_Q_VSA_POL":30.78,"moe2D_Q_VSA_POS":140.9,"moe2D_Q_VSA_PPOS":14.71,"moe2D_SMR":3.152,"moe2D_SMR_VSA0":34.86,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":7.745,"moe2D_SMR_VSA7":133.3,"moe2D_SlogP":1.348,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":7.745,"moe2D_SlogP_VSA2":34.86,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":133.3,"moe2D_TPSA":26.3,"moe2D_VAdjEq":0.7579,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.951,"moe2D_VDistMa":5.654,"moe2D_Weight":116.2,"moe2D_a_IC":25.91,"moe2D_a_ICM":1.295,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":20,"moe2D_a_don":0,"moe2D_a_heavy":8,"moe2D_a_hyd":5,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":12,"moe2D_a_nN":0,"moe2D_a_nO":2,"moe2D_apol":20.17,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":19,"moe2D_b_double":1,"moe2D_b_heavy":7,"moe2D_b_rotN":2,"moe2D_b_rotR":0.2857,"moe2D_b_single":18,"moe2D_b_triple":0,"moe2D_balabanJ":3.42,"moe2D_bpol":15.99,"moe2D_chi0":6.784,"moe2D_chi0_C":5.077,"moe2D_chi0v":5.816,"moe2D_chi0v_C":5,"moe2D_chi1":3.417,"moe2D_chi1_C":2.077,"moe2D_chi1v":2.612,"moe2D_chi1v_C":2,"moeGao_chi2_C":1.5,"moeGao_chi2v_C":1.5,"moeGao_chi3c":1.969,"moeGao_chi3c_C":0.5,"moeGao_chi3cv":1.196,"moeGao_chi3cv_C":0.5,"moeGao_chi3p":1.021,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.4499,"moeGao_chi3pv_C":0,"moeGao_chi4c":0.3536,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.225,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.4312,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0.2041,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.8165,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.3479,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6741,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":10.24,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.2245,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.933,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.799,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":-0.3275,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":2,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":1.395,"moe2D_logS":-0.9877,"moe2D_mr":3.217,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":157,"moe2D_vdw_vol":172.3,"moe2D_vsa_acc":13.57,"moe2D_vsa_don":0,"moe2D_vsa_hyd":117.6,"moe2D_vsa_other":17.21,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":66,"moe2D_weinerPol":5,"moe2D_zagreb":34}
{"Molecule":"tert-octylamine(2-pentanamine","moeGao_Abra_L":3.901,"moeGao_Abra_R":0.187,"moeGao_Abra_acidity":0.207,"moeGao_Abra_basicity":0.661,"moeGao_Abra_pi":0.219,"moe2D_BCUT_PEOE_0":-2.783,"moe2D_BCUT_PEOE_1":0.02349,"moe2D_BCUT_PEOE_2":0.02878,"moe2D_BCUT_PEOE_3":2.717,"moe2D_BCUT_SLOGP_0":-2.808,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.8,"moe2D_BCUT_SMR_0":-2.523,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.976,"moe2D_GCUT_PEOE_0":-0.8404,"moe2D_GCUT_PEOE_1":-0.1365,"moe2D_GCUT_PEOE_2":-0.1353,"moe2D_GCUT_PEOE_3":2.533,"moe2D_GCUT_SLOGP_0":-1.363,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.611,"moe2D_GCUT_SMR_0":-0.5335,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.753,"moe2D_Kier1":9,"moe2D_Kier2":2.32,"moe2D_Kier3":8,"moe2D_KierA1":9,"moe2D_KierA2":2.32,"moe2D_KierA3":8,"moe2D_KierFlex":2.32,"moe2D_PEOE_PC.":0.6661,"moe2D_PEOE_PC..1":-0.6661,"moe2D_PEOE_RPC.":0.1782,"moe2D_PEOE_RPC..1":0.4881,"moe2D_PEOE_VSA.0":72.51,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":17.24,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":46.2,"moe2D_PEOE_VSA.1.1":56.24,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":6.651,"moe2D_PEOE_VSA_FHYD":0.9666,"moe2D_PEOE_VSA_FNEG":0.5486,"moe2D_PEOE_VSA_FPNEG":0.03345,"moe2D_PEOE_VSA_FPOL":0.03345,"moe2D_PEOE_VSA_FPOS":0.4514,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":192.2,"moe2D_PEOE_VSA_NEG":109.1,"moe2D_PEOE_VSA_PNEG":6.651,"moe2D_PEOE_VSA_POL":6.651,"moe2D_PEOE_VSA_POS":89.75,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.99,"moe2D_Q_PC..1":-0.99,"moe2D_Q_RPC.":0.3636,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8799,"moe2D_Q_VSA_FNEG":0.03345,"moe2D_Q_VSA_FPNEG":0.03345,"moe2D_Q_VSA_FPOL":0.1201,"moe2D_Q_VSA_FPOS":0.9666,"moe2D_Q_VSA_FPPOS":0.08669,"moe2D_Q_VSA_HYD":175,"moe2D_Q_VSA_NEG":6.651,"moe2D_Q_VSA_PNEG":6.651,"moe2D_Q_VSA_POL":23.89,"moe2D_Q_VSA_POS":192.2,"moe2D_Q_VSA_PPOS":17.24,"moe2D_SMR":4.234,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":32.9,"moe2D_SMR_VSA5":18.87,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":166.6,"moe2D_SlogP":2.16,"moe2D_SlogP_VSA0":32.9,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":18.87,"moe2D_SlogP_VSA9":166.6,"moe2D_TPSA":26.02,"moe2D_VAdjEq":0.717,"moe2D_VAdjMa":4,"moe2D_VDistEq":1.944,"moe2D_VDistMa":6.022,"moe2D_Weight":129.2,"moe2D_a_IC":29.9,"moe2D_a_ICM":1.068,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":28,"moe2D_a_don":1,"moe2D_a_heavy":9,"moe2D_a_hyd":8,"moe2D_a_nBr":0,"moe2D_a_nC":8,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":19,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":27.85,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.125,"moe2D_b_ar":0,"moe2D_b_count":27,"moe2D_b_double":0,"moe2D_b_heavy":8,"moe2D_b_rotN":2,"moe2D_b_rotR":0.25,"moe2D_b_single":27,"moe2D_b_triple":0,"moe2D_balabanJ":3.746,"moe2D_bpol":20.11,"moe2D_chi0":7.707,"moe2D_chi0_C":6.707,"moe2D_chi0v":7.284,"moe2D_chi0v_C":6.707,"moe2D_chi1":3.707,"moe2D_chi1_C":3.207,"moe2D_chi1v":3.496,"moe2D_chi1v_C":3.207,"moeGao_chi2_C":3.945,"moeGao_chi2v_C":3.945,"moeGao_chi3c":3.121,"moeGao_chi3c_C":1.914,"moeGao_chi3cv":2.611,"moeGao_chi3cv_C":1.914,"moeGao_chi3p":1.061,"moeGao_chi3p_C":0.8839,"moeGao_chi3pv":0.9859,"moeGao_chi3pv_C":0.8839,"moeGao_chi4c":0.7071,"moeGao_chi4c_C":0.3536,"moeGao_chi4ca":1.591,"moeGao_chi4ca_C":1.061,"moeGao_chi4cav":1.367,"moeGao_chi4cav_C":1.061,"moeGao_chi4cv":0.5577,"moeGao_chi4cv_C":0.3536,"moeGao_chi4pc":1.061,"moeGao_chi4pc_C":0.7071,"moeGao_chi4pcv":0.9112,"moeGao_chi4pcv_C":0.7071,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.577,"moe2D_diameter":4,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":10.77,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":5.822,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.069,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0.3438,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.397,"moe2D_logS":-2.011,"moe2D_mr":4.06,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":198.8,"moe2D_vdw_vol":224,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":162.9,"moe2D_vsa_other":0,"moe2D_vsa_pol":17.74,"moe2D_weinerPath":88,"moe2D_weinerPol":6,"moe2D_zagreb":42}
{"Molecule":"tetrachloroethylene","moeGao_Abra_L":3.832,"moeGao_Abra_R":0.666,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.043,"moeGao_Abra_pi":0.707,"moe2D_BCUT_PEOE_0":-1.756,"moe2D_BCUT_PEOE_1":-0.4114,"moe2D_BCUT_PEOE_2":0.3269,"moe2D_BCUT_PEOE_3":1.873,"moe2D_BCUT_SLOGP_0":-1.4,"moe2D_BCUT_SLOGP_1":0.2627,"moe2D_BCUT_SLOGP_2":1.009,"moe2D_BCUT_SLOGP_3":2.252,"moe2D_BCUT_SMR_0":-1.324,"moe2D_BCUT_SMR_1":0.197,"moe2D_BCUT_SMR_2":0.9345,"moe2D_BCUT_SMR_3":2.302,"moe2D_GCUT_PEOE_0":-0.5981,"moe2D_GCUT_PEOE_1":-0.3091,"moe2D_GCUT_PEOE_2":-0.06862,"moe2D_GCUT_PEOE_3":1.275,"moe2D_GCUT_SLOGP_0":-0.3342,"moe2D_GCUT_SLOGP_1":0.346,"moe2D_GCUT_SLOGP_2":0.6436,"moe2D_GCUT_SLOGP_3":1.71,"moe2D_GCUT_SMR_0":-0.2103,"moe2D_GCUT_SMR_1":0.2906,"moe2D_GCUT_SMR_2":0.5536,"moe2D_GCUT_SMR_3":1.731,"moe2D_Kier1":6,"moe2D_Kier2":2.222,"moe2D_Kier3":3,"moe2D_KierA1":13.03,"moe2D_KierA2":5.643,"moe2D_KierA3":8.828,"moe2D_KierFlex":12.26,"moe2D_PEOE_PC.":0.2721,"moe2D_PEOE_PC..1":-0.2721,"moe2D_PEOE_RPC.":0.5,"moe2D_PEOE_RPC..1":0.25,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":13.66,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":118.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.8965,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.1035,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":132,"moe2D_PEOE_VSA_NEG":118.3,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":13.66,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.56,"moe2D_Q_PC..1":-0.56,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":0.25,"moe2D_Q_VSA_FHYD":0.8965,"moe2D_Q_VSA_FNEG":0.8965,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0.1035,"moe2D_Q_VSA_FPOS":0.1035,"moe2D_Q_VSA_FPPOS":0.1035,"moe2D_Q_VSA_HYD":118.3,"moe2D_Q_VSA_NEG":118.3,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":13.66,"moe2D_Q_VSA_POS":13.66,"moe2D_Q_VSA_PPOS":13.66,"moe2D_SMR":3.202,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":7.631,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":156.6,"moe2D_SlogP":3.286,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":7.631,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":156.6,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8524,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1.566,"moe2D_VDistMa":4.788,"moe2D_Weight":165.8,"moe2D_a_IC":5.51,"moe2D_a_ICM":0.9183,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":6,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":4,"moe2D_a_nF":0,"moe2D_a_nH":0,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":12.24,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":5,"moe2D_b_double":1,"moe2D_b_heavy":5,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":4,"moe2D_b_triple":0,"moe2D_balabanJ":3.134,"moe2D_bpol":1.68,"moe2D_chi0":5.155,"moe2D_chi0_C":1.155,"moe2D_chi0v":5.536,"moe2D_chi0v_C":1,"moe2D_chi1":2.643,"moe2D_chi1_C":0.3333,"moe2D_chi1v":2.518,"moe2D_chi1v_C":0.25,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.6667,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.6429,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.333,"moeGao_chi3p_C":0,"moeGao_chi3pv":1.286,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.333,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.458,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.374,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":-0.1975,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":19.98,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.375,"moe2D_logS":-3.401,"moe2D_mr":2.828,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":132,"moe2D_vdw_vol":120.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":118.3,"moe2D_vsa_other":13.66,"moe2D_vsa_pol":0,"moe2D_weinerPath":29,"moe2D_weinerPol":4,"moe2D_zagreb":22}
{"Molecule":"tetrachlorophenol","moeGao_Abra_L":6.265,"moeGao_Abra_R":1.269,"moeGao_Abra_acidity":0.758,"moeGao_Abra_basicity":0.209,"moeGao_Abra_pi":1.001,"moe2D_BCUT_PEOE_0":-2.106,"moe2D_BCUT_PEOE_1":-0.688,"moe2D_BCUT_PEOE_2":0.6625,"moe2D_BCUT_PEOE_3":2.16,"moe2D_BCUT_SLOGP_0":-1.884,"moe2D_BCUT_SLOGP_1":-0.255,"moe2D_BCUT_SLOGP_2":1.168,"moe2D_BCUT_SLOGP_3":2.442,"moe2D_BCUT_SMR_0":-1.782,"moe2D_BCUT_SMR_1":-0.2564,"moe2D_BCUT_SMR_2":1.123,"moe2D_BCUT_SMR_3":2.495,"moe2D_GCUT_PEOE_0":-0.7537,"moe2D_GCUT_PEOE_1":-0.4136,"moe2D_GCUT_PEOE_2":0.02158,"moe2D_GCUT_PEOE_3":1.892,"moe2D_GCUT_SLOGP_0":-0.7616,"moe2D_GCUT_SLOGP_1":-0.09609,"moe2D_GCUT_SLOGP_2":0.621,"moe2D_GCUT_SLOGP_3":2.195,"moe2D_GCUT_SMR_0":-0.4272,"moe2D_GCUT_SMR_1":-0.0541,"moe2D_GCUT_SMR_2":0.5718,"moe2D_GCUT_SMR_3":2.238,"moe2D_Kier1":9.091,"moe2D_Kier2":3.164,"moe2D_Kier3":1.6,"moe2D_KierA1":12.14,"moe2D_KierA2":4.352,"moe2D_KierA3":2.258,"moe2D_KierFlex":4.802,"moe2D_PEOE_PC.":0.691,"moe2D_PEOE_PC..1":-0.691,"moe2D_PEOE_RPC.":0.3146,"moe2D_PEOE_RPC..1":0.5185,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":30.8,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":12.25,"moe2D_PEOE_VSA.1.1":118.3,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8992,"moe2D_PEOE_VSA_FNEG":0.7709,"moe2D_PEOE_VSA_FPNEG":0.04328,"moe2D_PEOE_VSA_FPOL":0.1008,"moe2D_PEOE_VSA_FPOS":0.2291,"moe2D_PEOE_VSA_FPPOS":0.05752,"moe2D_PEOE_VSA_HYD":161.4,"moe2D_PEOE_VSA_NEG":138.4,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":41.13,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.391,"moe2D_Q_PC..1":-1.391,"moe2D_Q_RPC.":0.3236,"moe2D_Q_RPC..1":0.383,"moe2D_Q_VSA_FHYD":0.8992,"moe2D_Q_VSA_FNEG":0.7709,"moe2D_Q_VSA_FPNEG":0.04328,"moe2D_Q_VSA_FPOL":0.1008,"moe2D_Q_VSA_FPOS":0.2291,"moe2D_Q_VSA_FPPOS":0.05752,"moe2D_Q_VSA_HYD":161.4,"moe2D_Q_VSA_NEG":138.4,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":41.13,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":4.815,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":19.25,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":17.64,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":156.6,"moe2D_SlogP":4.006,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":14,"moe2D_SlogP_VSA7":17.64,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":161.8,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.107,"moe2D_VDistMa":6.643,"moe2D_Weight":231.9,"moe2D_a_IC":22.6,"moe2D_a_ICM":1.738,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":13,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":6,"moe2D_a_nCl":4,"moe2D_a_nF":0,"moe2D_a_nH":2,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":21.42,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":7,"moe2D_b_triple":0,"moe2D_balabanJ":2.675,"moe2D_bpol":3.866,"moe2D_chi0":8.594,"moe2D_chi0_C":3.594,"moe2D_chi0v":8.06,"moe2D_chi0v_C":3.077,"moe2D_chi1":5.037,"moe2D_chi1_C":2.15,"moe2D_chi1v":4.069,"moe2D_chi1v_C":1.577,"moeGao_chi2_C":1.284,"moeGao_chi2v_C":0.808,"moeGao_chi3c":1.049,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.6534,"moeGao_chi3cv_C":0,"moeGao_chi3p":4.197,"moeGao_chi3p_C":0.7666,"moeGao_chi3pv":2.825,"moeGao_chi3pv_C":0.4137,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.531,"moeGao_chi4ca_C":0.457,"moeGao_chi4cav":1.352,"moeGao_chi4cav_C":0.2117,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":2.887,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":1.801,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.152,"moe2D_diameter":5,"moe2D_kS_aaCH":1.234,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0.4112,"moe2D_kS_aasC":-0.1749,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":22.26,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.046,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.995,"moe2D_logS":-3.96,"moe2D_mr":4.665,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.4,"moe2D_petitjeanSC":0.6667,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":179.5,"moe2D_vdw_vol":201.2,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":160.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":140,"moe2D_weinerPol":17,"moe2D_zagreb":54}
{"Molecule":"tetrahydrofuran","moeGao_Abra_L":2.485,"moeGao_Abra_R":0.261,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.402,"moeGao_Abra_pi":0.462,"moe2D_BCUT_PEOE_0":-2.435,"moe2D_BCUT_PEOE_1":-0.1582,"moe2D_BCUT_PEOE_2":0.05596,"moe2D_BCUT_PEOE_3":2.625,"moe2D_BCUT_SLOGP_0":-2.38,"moe2D_BCUT_SLOGP_1":0.02689,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.668,"moe2D_BCUT_SMR_0":-2.221,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1071,"moe2D_BCUT_SMR_3":2.86,"moe2D_GCUT_PEOE_0":-0.8233,"moe2D_GCUT_PEOE_1":-0.3159,"moe2D_GCUT_PEOE_2":-0.104,"moe2D_GCUT_PEOE_3":2.031,"moe2D_GCUT_SLOGP_0":-0.8377,"moe2D_GCUT_SLOGP_1":-0.1895,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.08,"moe2D_GCUT_SMR_0":-0.5262,"moe2D_GCUT_SMR_1":-0.09943,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.238,"moe2D_Kier1":3.2,"moe2D_Kier2":1.44,"moe2D_Kier3":0.64,"moe2D_KierA1":3.2,"moe2D_KierA2":1.44,"moe2D_KierA3":0.64,"moe2D_KierFlex":0.9216,"moe2D_PEOE_PC.":0.4345,"moe2D_PEOE_PC..1":-0.4345,"moe2D_PEOE_RPC.":0.1288,"moe2D_PEOE_RPC..1":0.8739,"moe2D_PEOE_VSA.0":46.96,"moe2D_PEOE_VSA.1":17.06,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":17.4,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":2.504,"moe2D_PEOE_VSA_FHYD":0.9702,"moe2D_PEOE_VSA_FNEG":0.2372,"moe2D_PEOE_VSA_FPNEG":0.02983,"moe2D_PEOE_VSA_FPOL":0.02983,"moe2D_PEOE_VSA_FPOS":0.7628,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":81.43,"moe2D_PEOE_VSA_NEG":19.91,"moe2D_PEOE_VSA_PNEG":2.504,"moe2D_PEOE_VSA_POL":2.504,"moe2D_PEOE_VSA_POS":64.03,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.56,"moe2D_Q_PC..1":-0.56,"moe2D_Q_RPC.":0.5,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.6139,"moe2D_Q_VSA_FNEG":0.02983,"moe2D_Q_VSA_FPNEG":0.02983,"moe2D_Q_VSA_FPOL":0.3861,"moe2D_Q_VSA_FPOS":0.9702,"moe2D_Q_VSA_FPPOS":0.3563,"moe2D_Q_VSA_HYD":51.53,"moe2D_Q_VSA_NEG":2.504,"moe2D_Q_VSA_PNEG":2.504,"moe2D_Q_VSA_POL":32.41,"moe2D_Q_VSA_POS":81.43,"moe2D_Q_VSA_PPOS":29.9,"moe2D_SMR":2.005,"moe2D_SMR_VSA0":11,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":37.74,"moe2D_SMR_VSA6":41.85,"moe2D_SMR_VSA7":0,"moe2D_SlogP":0.7968,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":11,"moe2D_SlogP_VSA3":41.85,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":37.74,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":9.23,"moe2D_VAdjEq":0.971,"moe2D_VAdjMa":3.322,"moe2D_VDistEq":1,"moe2D_VDistMa":4.24,"moe2D_Weight":72.11,"moe2D_a_IC":16.11,"moe2D_a_ICM":1.239,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":13,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":4,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":13.18,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":13,"moe2D_b_double":0,"moe2D_b_heavy":5,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":13,"moe2D_b_triple":0,"moe2D_balabanJ":2.083,"moe2D_bpol":10.66,"moe2D_chi0":3.536,"moe2D_chi0_C":2.828,"moe2D_chi0v":3.237,"moe2D_chi0v_C":2.828,"moe2D_chi1":2.5,"moe2D_chi1_C":1.5,"moe2D_chi1v":2.077,"moe2D_chi1v_C":1.5,"moeGao_chi2_C":0.7071,"moeGao_chi2v_C":0.7071,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.25,"moeGao_chi3p_C":0.25,"moeGao_chi3pv":0.8274,"moeGao_chi3pv_C":0.25,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0.1768,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.1021,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6653,"moe2D_diameter":2,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":4.556,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":4.944,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.74,"moe2D_logS":-0.2856,"moe2D_mr":2.096,"moe2D_opr_brigid":5,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0,"moe2D_petitjeanSC":0,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":83.93,"moe2D_vdw_vol":108.4,"moe2D_vsa_acc":2.504,"moe2D_vsa_don":0,"moe2D_vsa_hyd":75.73,"moe2D_vsa_other":0,"moe2D_vsa_pol":2.504,"moe2D_weinerPath":15,"moe2D_weinerPol":0,"moe2D_zagreb":20}
{"Molecule":"thymol","moeGao_Abra_L":5.543,"moeGao_Abra_R":0.83,"moeGao_Abra_acidity":0.573,"moeGao_Abra_basicity":0.443,"moeGao_Abra_pi":0.788,"moe2D_BCUT_PEOE_0":-2.536,"moe2D_BCUT_PEOE_1":-0.2313,"moe2D_BCUT_PEOE_2":0.3622,"moe2D_BCUT_PEOE_3":2.491,"moe2D_BCUT_SLOGP_0":-2.375,"moe2D_BCUT_SLOGP_1":-0.1627,"moe2D_BCUT_SLOGP_2":0.3594,"moe2D_BCUT_SLOGP_3":2.656,"moe2D_BCUT_SMR_0":-2.278,"moe2D_BCUT_SMR_1":-0.08837,"moe2D_BCUT_SMR_2":0.4866,"moe2D_BCUT_SMR_3":2.758,"moe2D_GCUT_PEOE_0":-0.7807,"moe2D_GCUT_PEOE_1":-0.2835,"moe2D_GCUT_PEOE_2":-0.03129,"moe2D_GCUT_PEOE_3":2.316,"moe2D_GCUT_SLOGP_0":-0.762,"moe2D_GCUT_SLOGP_1":-0.1702,"moe2D_GCUT_SLOGP_2":-0.03312,"moe2D_GCUT_SLOGP_3":2.487,"moe2D_GCUT_SMR_0":-0.5184,"moe2D_GCUT_SMR_1":-0.1163,"moe2D_GCUT_SMR_2":0.08847,"moe2D_GCUT_SMR_3":2.587,"moe2D_Kier1":9.091,"moe2D_Kier2":3.6,"moe2D_Kier3":2.215,"moe2D_KierA1":7.18,"moe2D_KierA2":2.769,"moe2D_KierA3":1.663,"moe2D_KierFlex":1.807,"moe2D_PEOE_PC.":0.7413,"moe2D_PEOE_PC..1":-0.7413,"moe2D_PEOE_RPC.":0.2932,"moe2D_PEOE_RPC..1":0.485,"moe2D_PEOE_VSA.0":42.65,"moe2D_PEOE_VSA.1":21.25,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":10.32,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":35.42,"moe2D_PEOE_VSA.1.1":62.01,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.768,"moe2D_PEOE_VSA_FHYD":0.8992,"moe2D_PEOE_VSA_FNEG":0.5863,"moe2D_PEOE_VSA_FPNEG":0.04329,"moe2D_PEOE_VSA_FPOL":0.1008,"moe2D_PEOE_VSA_FPOS":0.4137,"moe2D_PEOE_VSA_FPPOS":0.05754,"moe2D_PEOE_VSA_HYD":161.3,"moe2D_PEOE_VSA_NEG":105.2,"moe2D_PEOE_VSA_PNEG":7.768,"moe2D_PEOE_VSA_POL":18.09,"moe2D_PEOE_VSA_POS":74.23,"moe2D_PEOE_VSA_PPOS":10.32,"moe2D_Q_PC.":1.269,"moe2D_Q_PC..1":-1.269,"moe2D_Q_RPC.":0.3545,"moe2D_Q_RPC..1":0.4195,"moe2D_Q_VSA_FHYD":0.8992,"moe2D_Q_VSA_FNEG":0.2728,"moe2D_Q_VSA_FPNEG":0.04329,"moe2D_Q_VSA_FPOL":0.1008,"moe2D_Q_VSA_FPOS":0.7272,"moe2D_Q_VSA_FPPOS":0.05754,"moe2D_Q_VSA_HYD":161.3,"moe2D_Q_VSA_NEG":48.95,"moe2D_Q_VSA_PNEG":7.768,"moe2D_Q_VSA_POL":18.09,"moe2D_Q_VSA_POS":130.5,"moe2D_Q_VSA_PPOS":10.32,"moe2D_SMR":4.693,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":25.39,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":16.03,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":52.93,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":2.824,"moe2D_SlogP_VSA0":25.39,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":6.371,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":4.411,"moe2D_SlogP_VSA7":52.93,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":105.2,"moe2D_TPSA":20.23,"moe2D_VAdjEq":0.684,"moe2D_VAdjMa":4.459,"moe2D_VDistEq":2.328,"moe2D_VDistMa":6.613,"moe2D_Weight":150.2,"moe2D_a_IC":29.57,"moe2D_a_ICM":1.183,"moe2D_a_acc":1,"moe2D_a_aro":6,"moe2D_a_count":25,"moe2D_a_don":1,"moe2D_a_heavy":11,"moe2D_a_hyd":10,"moe2D_a_nBr":0,"moe2D_a_nC":10,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":14,"moe2D_a_nN":0,"moe2D_a_nO":1,"moe2D_apol":27.74,"moe2D_b_1rotN":1,"moe2D_b_1rotR":0.09091,"moe2D_b_ar":6,"moe2D_b_count":25,"moe2D_b_double":0,"moe2D_b_heavy":11,"moe2D_b_rotN":1,"moe2D_b_rotR":0.09091,"moe2D_b_single":19,"moe2D_b_triple":0,"moe2D_balabanJ":2.476,"moe2D_bpol":15.3,"moe2D_chi0":8.431,"moe2D_chi0_C":7.431,"moe2D_chi0v":7.257,"moe2D_chi0v_C":6.809,"moe2D_chi1":5.109,"moe2D_chi1_C":4.532,"moe2D_chi1v":3.905,"moe2D_chi1v_C":3.681,"moeGao_chi2_C":4.062,"moeGao_chi2v_C":2.976,"moeGao_chi3c":0.9938,"moeGao_chi3c_C":0.7581,"moeGao_chi3cv":0.6032,"moeGao_chi3cv_C":0.5387,"moeGao_chi3p":3.354,"moeGao_chi3p_C":2.69,"moeGao_chi3pv":1.808,"moeGao_chi3pv_C":1.614,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":2.679,"moeGao_chi4ca_C":1.725,"moeGao_chi4cav":1.142,"moeGao_chi4cav_C":0.8737,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":1.838,"moeGao_chi4pc_C":1.264,"moeGao_chi4pcv":0.8975,"moeGao_chi4pcv_C":0.7535,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6389,"moe2D_diameter":6,"moe2D_kS_aaCH":5.805,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":2.544,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.124,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":9.462,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0.3987,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":1,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.074,"moe2D_logS":-2.688,"moe2D_mr":4.695,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":1,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":179.4,"moe2D_vdw_vol":235.1,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":150.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":13.57,"moe2D_weinerPath":150,"moe2D_weinerPol":14,"moe2D_zagreb":52}
{"Molecule":"toluene","moeGao_Abra_L":3.42,"moeGao_Abra_R":0.664,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.133,"moeGao_Abra_pi":0.553,"moe2D_BCUT_PEOE_0":-2.277,"moe2D_BCUT_PEOE_1":-0.5629,"moe2D_BCUT_PEOE_2":0.6207,"moe2D_BCUT_PEOE_3":2.213,"moe2D_BCUT_SLOGP_0":-2.117,"moe2D_BCUT_SLOGP_1":-0.4584,"moe2D_BCUT_SLOGP_2":0.7226,"moe2D_BCUT_SLOGP_3":2.374,"moe2D_BCUT_SMR_0":-1.983,"moe2D_BCUT_SMR_1":-0.4278,"moe2D_BCUT_SMR_2":0.7628,"moe2D_BCUT_SMR_3":2.519,"moe2D_GCUT_PEOE_0":-0.7648,"moe2D_GCUT_PEOE_1":-0.357,"moe2D_GCUT_PEOE_2":0.06567,"moe2D_GCUT_PEOE_3":1.95,"moe2D_GCUT_SLOGP_0":-0.6038,"moe2D_GCUT_SLOGP_1":-0.2362,"moe2D_GCUT_SLOGP_2":0.1472,"moe2D_GCUT_SLOGP_3":2.115,"moe2D_GCUT_SMR_0":-0.4789,"moe2D_GCUT_SMR_1":-0.1923,"moe2D_GCUT_SMR_2":0.1698,"moe2D_GCUT_SMR_3":2.248,"moe2D_Kier1":5.143,"moe2D_Kier2":2.344,"moe2D_Kier3":1.5,"moe2D_KierA1":3.459,"moe2D_KierA2":1.452,"moe2D_KierA3":0.8457,"moe2D_KierFlex":0.7177,"moe2D_PEOE_PC.":0.3926,"moe2D_PEOE_PC..1":-0.3926,"moe2D_PEOE_RPC.":0.158,"moe2D_PEOE_RPC..1":0.1573,"moe2D_PEOE_VSA.0":12.8,"moe2D_PEOE_VSA.1":21.33,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":18.75,"moe2D_PEOE_VSA.1.1":63.48,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7067,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2933,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":116.4,"moe2D_PEOE_VSA_NEG":82.23,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":34.12,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.8935,"moe2D_Q_PC..1":-0.8935,"moe2D_Q_RPC.":0.1679,"moe2D_Q_RPC..1":0.1679,"moe2D_Q_VSA_FHYD":1,"moe2D_Q_VSA_FNEG":0.5456,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0,"moe2D_Q_VSA_FPOS":0.4544,"moe2D_Q_VSA_FPPOS":0,"moe2D_Q_VSA_HYD":116.4,"moe2D_Q_VSA_NEG":63.48,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":0,"moe2D_Q_VSA_POS":52.87,"moe2D_Q_VSA_PPOS":0,"moe2D_SMR":3.118,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":3.186,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":88.22,"moe2D_SMR_VSA6":0,"moe2D_SMR_VSA7":33.33,"moe2D_SlogP":1.995,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":3.186,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":88.22,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":33.33,"moe2D_TPSA":0,"moe2D_VAdjEq":0.8631,"moe2D_VAdjMa":3.807,"moe2D_VDistEq":1.761,"moe2D_VDistMa":5.255,"moe2D_Weight":92.14,"moe2D_a_IC":14.95,"moe2D_a_ICM":0.9968,"moe2D_a_acc":0,"moe2D_a_aro":6,"moe2D_a_count":15,"moe2D_a_don":0,"moe2D_a_heavy":7,"moe2D_a_hyd":7,"moe2D_a_nBr":0,"moe2D_a_nC":7,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":8,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":17.65,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":6,"moe2D_b_count":15,"moe2D_b_double":0,"moe2D_b_heavy":7,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":9,"moe2D_b_triple":0,"moe2D_balabanJ":2.215,"moe2D_bpol":8.746,"moe2D_chi0":5.113,"moe2D_chi0_C":5.113,"moe2D_chi0v":4.387,"moe2D_chi0v_C":4.387,"moe2D_chi1":3.394,"moe2D_chi1_C":3.394,"moe2D_chi1v":2.411,"moe2D_chi1v_C":2.411,"moeGao_chi2_C":2.743,"moeGao_chi2v_C":1.655,"moeGao_chi3c":0.2887,"moeGao_chi3c_C":0.2887,"moeGao_chi3cv":0.1667,"moeGao_chi3cv_C":0.1667,"moeGao_chi3p":1.894,"moeGao_chi3p_C":1.894,"moeGao_chi3pv":0.9405,"moeGao_chi3pv_C":0.9405,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.307,"moeGao_chi4ca_C":1.307,"moeGao_chi4cav":0.5344,"moeGao_chi4cav_C":0.5344,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0.4082,"moeGao_chi4pcv":0.1925,"moeGao_chi4pcv_C":0.1925,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.6011,"moe2D_diameter":4,"moe2D_kS_aaCH":10.26,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":1.322,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":2.083,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.375,"moe2D_logS":-1.859,"moe2D_mr":3.188,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.25,"moe2D_petitjeanSC":0.3333,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":116.4,"moe2D_vdw_vol":153.3,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":110.7,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":42,"moe2D_weinerPol":5,"moe2D_zagreb":30}
{"Molecule":"trichloroethylene","moeGao_Abra_L":3.119,"moeGao_Abra_R":0.548,"moeGao_Abra_acidity":0.049,"moeGao_Abra_basicity":0.068,"moeGao_Abra_pi":0.624,"moe2D_BCUT_PEOE_0":-1.781,"moe2D_BCUT_PEOE_1":-0.4139,"moe2D_BCUT_PEOE_2":0.3668,"moe2D_BCUT_PEOE_3":1.846,"moe2D_BCUT_SLOGP_0":-1.461,"moe2D_BCUT_SLOGP_1":0.03933,"moe2D_BCUT_SLOGP_2":0.9832,"moe2D_BCUT_SLOGP_3":2.206,"moe2D_BCUT_SMR_0":-1.381,"moe2D_BCUT_SMR_1":0.01093,"moe2D_BCUT_SMR_2":0.9134,"moe2D_BCUT_SMR_3":2.265,"moe2D_GCUT_PEOE_0":-0.6334,"moe2D_GCUT_PEOE_1":-0.3145,"moe2D_GCUT_PEOE_2":-0.02421,"moe2D_GCUT_PEOE_3":1.254,"moe2D_GCUT_SLOGP_0":-0.3811,"moe2D_GCUT_SLOGP_1":0.1178,"moe2D_GCUT_SLOGP_2":0.6231,"moe2D_GCUT_SLOGP_3":1.654,"moe2D_GCUT_SMR_0":-0.2781,"moe2D_GCUT_SMR_1":0.1172,"moe2D_GCUT_SMR_2":0.5354,"moe2D_GCUT_SMR_3":1.686,"moe2D_Kier1":5,"moe2D_Kier2":2.25,"moe2D_Kier3":4,"moe2D_KierA1":9.959,"moe2D_KierA2":5.386,"moe2D_KierA3":12.33,"moe2D_KierFlex":10.73,"moe2D_PEOE_PC.":0.2287,"moe2D_PEOE_PC..1":-0.2287,"moe2D_PEOE_RPC.":0.514,"moe2D_PEOE_RPC..1":0.3915,"moe2D_PEOE_VSA.0":14.57,"moe2D_PEOE_VSA.1":4.265,"moe2D_PEOE_VSA.2":6.831,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":88.75,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.7757,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.2243,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":114.4,"moe2D_PEOE_VSA_NEG":88.75,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":25.66,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.43,"moe2D_Q_PC..1":-0.43,"moe2D_Q_RPC.":0.6512,"moe2D_Q_RPC..1":0.3256,"moe2D_Q_VSA_FHYD":0.9403,"moe2D_Q_VSA_FNEG":0.903,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0.05971,"moe2D_Q_VSA_FPOS":0.09699,"moe2D_Q_VSA_FPPOS":0.05971,"moe2D_Q_VSA_HYD":107.6,"moe2D_Q_VSA_NEG":103.3,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":6.831,"moe2D_Q_VSA_POS":11.1,"moe2D_Q_VSA_PPOS":6.831,"moe2D_SMR":2.723,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":3.816,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":17.96,"moe2D_SMR_VSA7":117.4,"moe2D_SlogP":2.719,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":0,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":3.816,"moe2D_SlogP_VSA8":17.96,"moe2D_SlogP_VSA9":117.4,"moe2D_TPSA":0,"moe2D_VAdjEq":0.9044,"moe2D_VAdjMa":3,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.197,"moe2D_Weight":131.4,"moe2D_a_IC":8.755,"moe2D_a_ICM":1.459,"moe2D_a_acc":0,"moe2D_a_aro":0,"moe2D_a_count":6,"moe2D_a_don":0,"moe2D_a_heavy":5,"moe2D_a_hyd":4,"moe2D_a_nBr":0,"moe2D_a_nC":2,"moe2D_a_nCl":3,"moe2D_a_nF":0,"moe2D_a_nH":1,"moe2D_a_nN":0,"moe2D_a_nO":0,"moe2D_apol":10.73,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":5,"moe2D_b_double":1,"moe2D_b_heavy":4,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":4,"moe2D_b_triple":0,"moe2D_balabanJ":2.706,"moe2D_bpol":2.353,"moe2D_chi0":4.284,"moe2D_chi0_C":1.284,"moe2D_chi0v":4.479,"moe2D_chi0v_C":1.077,"moe2D_chi1":2.27,"moe2D_chi1_C":0.4082,"moe2D_chi1v":2.077,"moe2D_chi1v_C":0.2887,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0.4082,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.3712,"moeGao_chi3cv_C":0,"moeGao_chi3p":0.8165,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.7423,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":0,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.4082,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.4208,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":1.255,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":1.086,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0.08951,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":14.82,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":0,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":0,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":2.288,"moe2D_logS":-2.28,"moe2D_mr":2.467,"moe2D_opr_brigid":1,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":0,"moe2D_opr_violation":0,"moe2D_petitjean":0.3333,"moe2D_petitjeanSC":0.5,"moe2D_radius":2,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":114.4,"moe2D_vdw_vol":104.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":106.9,"moe2D_vsa_other":6.831,"moe2D_vsa_pol":0,"moe2D_weinerPath":18,"moe2D_weinerPol":2,"moe2D_zagreb":16}
{"Molecule":"trioxane(s-trioxane)","moeGao_Abra_L":2.704,"moeGao_Abra_R":0.287,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":1.064,"moeGao_Abra_pi":0.832,"moe2D_BCUT_PEOE_0":-2.482,"moe2D_BCUT_PEOE_1":-0.1853,"moe2D_BCUT_PEOE_2":0.0873,"moe2D_BCUT_PEOE_3":2.445,"moe2D_BCUT_SLOGP_0":-2.557,"moe2D_BCUT_SLOGP_1":-0.00514,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.349,"moe2D_BCUT_SMR_0":-2.259,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1076,"moe2D_BCUT_SMR_3":2.642,"moe2D_GCUT_PEOE_0":-0.7656,"moe2D_GCUT_PEOE_1":-0.3496,"moe2D_GCUT_PEOE_2":-0.0727,"moe2D_GCUT_PEOE_3":1.851,"moe2D_GCUT_SLOGP_0":-0.8454,"moe2D_GCUT_SLOGP_1":-0.2497,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":1.791,"moe2D_GCUT_SMR_0":-0.5095,"moe2D_GCUT_SMR_1":-0.1302,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.03,"moe2D_Kier1":4.167,"moe2D_Kier2":2.222,"moe2D_Kier3":1.333,"moe2D_KierA1":4.167,"moe2D_KierA2":2.222,"moe2D_KierA3":1.333,"moe2D_KierFlex":1.543,"moe2D_PEOE_PC.":0.9844,"moe2D_PEOE_PC..1":-0.9844,"moe2D_PEOE_RPC.":0.156,"moe2D_PEOE_RPC..1":0.3333,"moe2D_PEOE_VSA.0":0,"moe2D_PEOE_VSA.1":25.59,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":63.6,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":0,"moe2D_PEOE_VSA.1.1":0,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":7.511,"moe2D_PEOE_VSA_FHYD":0.9223,"moe2D_PEOE_VSA_FNEG":0.07767,"moe2D_PEOE_VSA_FPNEG":0.07767,"moe2D_PEOE_VSA_FPOL":0.07767,"moe2D_PEOE_VSA_FPOS":0.9223,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":89.2,"moe2D_PEOE_VSA_NEG":7.511,"moe2D_PEOE_VSA_PNEG":7.511,"moe2D_PEOE_VSA_POL":7.511,"moe2D_PEOE_VSA_POS":89.2,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":1.68,"moe2D_Q_PC..1":-1.68,"moe2D_Q_RPC.":0.3333,"moe2D_Q_RPC..1":0.3333,"moe2D_Q_VSA_FHYD":0.2646,"moe2D_Q_VSA_FNEG":0.07767,"moe2D_Q_VSA_FPNEG":0.07767,"moe2D_Q_VSA_FPOL":0.7354,"moe2D_Q_VSA_FPOS":0.9223,"moe2D_Q_VSA_FPPOS":0.6577,"moe2D_Q_VSA_HYD":25.59,"moe2D_Q_VSA_NEG":7.511,"moe2D_Q_VSA_PNEG":7.511,"moe2D_Q_VSA_POL":71.12,"moe2D_Q_VSA_POS":89.2,"moe2D_Q_VSA_PPOS":63.6,"moe2D_SMR":1.786,"moe2D_SMR_VSA0":33,"moe2D_SMR_VSA1":0,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":0,"moe2D_SMR_VSA6":68.95,"moe2D_SMR_VSA7":0,"moe2D_SlogP":-0.0777,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":0,"moe2D_SlogP_VSA2":33,"moe2D_SlogP_VSA3":68.95,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":0,"moe2D_SlogP_VSA9":0,"moe2D_TPSA":27.69,"moe2D_VAdjEq":0.9183,"moe2D_VAdjMa":3.585,"moe2D_VDistEq":1.522,"moe2D_VDistMa":4.782,"moe2D_Weight":90.08,"moe2D_a_IC":18,"moe2D_a_ICM":1.5,"moe2D_a_acc":3,"moe2D_a_aro":0,"moe2D_a_count":12,"moe2D_a_don":0,"moe2D_a_heavy":6,"moe2D_a_hyd":0,"moe2D_a_nBr":0,"moe2D_a_nC":3,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":6,"moe2D_a_nN":0,"moe2D_a_nO":3,"moe2D_apol":11.69,"moe2D_b_1rotN":0,"moe2D_b_1rotR":0,"moe2D_b_ar":0,"moe2D_b_count":12,"moe2D_b_double":0,"moe2D_b_heavy":6,"moe2D_b_rotN":0,"moe2D_b_rotR":0,"moe2D_b_single":12,"moe2D_b_triple":0,"moe2D_balabanJ":2,"moe2D_bpol":12.31,"moe2D_chi0":4.243,"moe2D_chi0_C":2.121,"moe2D_chi0v":3.346,"moe2D_chi0v_C":2.121,"moe2D_chi1":3,"moe2D_chi1_C":0,"moe2D_chi1v":1.732,"moe2D_chi1v_C":0,"moeGao_chi2_C":0,"moeGao_chi2v_C":0,"moeGao_chi3c":0,"moeGao_chi3c_C":0,"moeGao_chi3cv":0,"moeGao_chi3cv_C":0,"moeGao_chi3p":1.5,"moeGao_chi3p_C":0,"moeGao_chi3pv":0.5,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.061,"moeGao_chi4ca_C":0,"moeGao_chi4cav":0.2788,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.8557,"moe2D_diameter":3,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":0,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":1.125,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":13.88,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":0,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":3,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":0.022,"moe2D_logS":0.7162,"moe2D_mr":1.963,"moe2D_opr_brigid":6,"moe2D_opr_leadlike":1,"moe2D_opr_nring":1,"moe2D_opr_nrot":2,"moe2D_opr_violation":0,"moe2D_petitjean":0,"moe2D_petitjeanSC":0,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":1,"moe2D_vdw_area":96.71,"moe2D_vdw_vol":105.3,"moe2D_vsa_acc":7.511,"moe2D_vsa_don":0,"moe2D_vsa_hyd":0,"moe2D_vsa_other":84.93,"moe2D_vsa_pol":7.511,"moe2D_weinerPath":27,"moe2D_weinerPol":3,"moe2D_zagreb":24}
{"Molecule":"tripropylamine","moeGao_Abra_L":4.487,"moeGao_Abra_R":0.156,"moeGao_Abra_acidity":0.03,"moeGao_Abra_basicity":0.745,"moeGao_Abra_pi":0.375,"moe2D_BCUT_PEOE_0":-2.724,"moe2D_BCUT_PEOE_1":0.02302,"moe2D_BCUT_PEOE_2":0.04264,"moe2D_BCUT_PEOE_3":2.616,"moe2D_BCUT_SLOGP_0":-2.744,"moe2D_BCUT_SLOGP_1":0.123,"moe2D_BCUT_SLOGP_2":0.123,"moe2D_BCUT_SLOGP_3":2.649,"moe2D_BCUT_SMR_0":-2.446,"moe2D_BCUT_SMR_1":0.1057,"moe2D_BCUT_SMR_2":0.1057,"moe2D_BCUT_SMR_3":2.887,"moe2D_GCUT_PEOE_0":-0.8599,"moe2D_GCUT_PEOE_1":-0.137,"moe2D_GCUT_PEOE_2":-0.1174,"moe2D_GCUT_PEOE_3":2.454,"moe2D_GCUT_SLOGP_0":-0.9531,"moe2D_GCUT_SLOGP_1":-0.037,"moe2D_GCUT_SLOGP_2":-0.037,"moe2D_GCUT_SLOGP_3":2.503,"moe2D_GCUT_SMR_0":-0.5252,"moe2D_GCUT_SMR_1":-0.0543,"moe2D_GCUT_SMR_2":-0.0543,"moe2D_GCUT_SMR_3":2.68,"moe2D_Kier1":10,"moe2D_Kier2":7.111,"moe2D_Kier3":5.531,"moe2D_KierA1":10,"moe2D_KierA2":7.111,"moe2D_KierA3":5.531,"moe2D_KierFlex":7.111,"moe2D_PEOE_PC.":0.6279,"moe2D_PEOE_PC..1":-0.6279,"moe2D_PEOE_RPC.":0.0679,"moe2D_PEOE_RPC..1":0.4815,"moe2D_PEOE_VSA.0":89.57,"moe2D_PEOE_VSA.1":0,"moe2D_PEOE_VSA.2":0,"moe2D_PEOE_VSA.3":0,"moe2D_PEOE_VSA.4":0,"moe2D_PEOE_VSA.5":0,"moe2D_PEOE_VSA.6":0,"moe2D_PEOE_VSA.0.1":65.68,"moe2D_PEOE_VSA.1.1":56.24,"moe2D_PEOE_VSA.2.1":0,"moe2D_PEOE_VSA.3.1":0,"moe2D_PEOE_VSA.4.1":0,"moe2D_PEOE_VSA.5.1":0,"moe2D_PEOE_VSA.6.1":0,"moe2D_PEOE_VSA_FHYD":1,"moe2D_PEOE_VSA_FNEG":0.5765,"moe2D_PEOE_VSA_FPNEG":0,"moe2D_PEOE_VSA_FPOL":0,"moe2D_PEOE_VSA_FPOS":0.4235,"moe2D_PEOE_VSA_FPPOS":0,"moe2D_PEOE_VSA_HYD":211.5,"moe2D_PEOE_VSA_NEG":121.9,"moe2D_PEOE_VSA_PNEG":0,"moe2D_PEOE_VSA_POL":0,"moe2D_PEOE_VSA_POS":89.57,"moe2D_PEOE_VSA_PPOS":0,"moe2D_Q_PC.":0.81,"moe2D_Q_PC..1":-0.81,"moe2D_Q_RPC.":0.3333,"moe2D_Q_RPC..1":1,"moe2D_Q_VSA_FHYD":0.8129,"moe2D_Q_VSA_FNEG":0,"moe2D_Q_VSA_FPNEG":0,"moe2D_Q_VSA_FPOL":0.1871,"moe2D_Q_VSA_FPOS":1,"moe2D_Q_VSA_FPPOS":0.1871,"moe2D_Q_VSA_HYD":171.9,"moe2D_Q_VSA_NEG":0,"moe2D_Q_VSA_PNEG":0,"moe2D_Q_VSA_POL":39.58,"moe2D_Q_VSA_POS":211.5,"moe2D_Q_VSA_PPOS":39.58,"moe2D_SMR":4.731,"moe2D_SMR_VSA0":0,"moe2D_SMR_VSA1":3.124,"moe2D_SMR_VSA2":0,"moe2D_SMR_VSA3":0,"moe2D_SMR_VSA4":0,"moe2D_SMR_VSA5":56.61,"moe2D_SMR_VSA6":55.32,"moe2D_SMR_VSA7":99.98,"moe2D_SlogP":2.518,"moe2D_SlogP_VSA0":0,"moe2D_SlogP_VSA1":3.124,"moe2D_SlogP_VSA2":0,"moe2D_SlogP_VSA3":55.32,"moe2D_SlogP_VSA4":0,"moe2D_SlogP_VSA5":0,"moe2D_SlogP_VSA6":0,"moe2D_SlogP_VSA7":0,"moe2D_SlogP_VSA8":56.61,"moe2D_SlogP_VSA9":99.98,"moe2D_TPSA":3.24,"moe2D_VAdjEq":0.6801,"moe2D_VAdjMa":4.17,"moe2D_VDistEq":2.506,"moe2D_VDistMa":6.304,"moe2D_Weight":143.3,"moe2D_a_IC":32.81,"moe2D_a_ICM":1.058,"moe2D_a_acc":1,"moe2D_a_aro":0,"moe2D_a_count":31,"moe2D_a_don":0,"moe2D_a_heavy":10,"moe2D_a_hyd":9,"moe2D_a_nBr":0,"moe2D_a_nC":9,"moe2D_a_nCl":0,"moe2D_a_nF":0,"moe2D_a_nH":21,"moe2D_a_nN":1,"moe2D_a_nO":0,"moe2D_apol":30.94,"moe2D_b_1rotN":6,"moe2D_b_1rotR":0.6667,"moe2D_b_ar":0,"moe2D_b_count":30,"moe2D_b_double":0,"moe2D_b_heavy":9,"moe2D_b_rotN":6,"moe2D_b_rotR":0.6667,"moe2D_b_single":30,"moe2D_b_triple":0,"moe2D_balabanJ":3.295,"moe2D_bpol":24.94,"moe2D_chi0":7.82,"moe2D_chi0_C":7.243,"moe2D_chi0v":7.69,"moe2D_chi0v_C":7.243,"moe2D_chi1":4.846,"moe2D_chi1_C":3.621,"moe2D_chi1v":4.57,"moe2D_chi1v_C":3.621,"moeGao_chi2_C":1.5,"moeGao_chi2v_C":1.5,"moeGao_chi3c":0.2041,"moeGao_chi3c_C":0,"moeGao_chi3cv":0.1581,"moeGao_chi3cv_C":0,"moeGao_chi3p":2.091,"moeGao_chi3p_C":0,"moeGao_chi3pv":1.62,"moeGao_chi3pv_C":0,"moeGao_chi4c":0,"moeGao_chi4c_C":0,"moeGao_chi4ca":1.658,"moeGao_chi4ca_C":0,"moeGao_chi4cav":1.284,"moeGao_chi4cav_C":0,"moeGao_chi4cv":0,"moeGao_chi4cv_C":0,"moeGao_chi4pc":0.433,"moeGao_chi4pc_C":0,"moeGao_chi4pcv":0.3354,"moeGao_chi4pcv_C":0,"moe2D_chiral":0,"moe2D_chiral_u":0,"moe2D_density":0.5693,"moe2D_diameter":6,"moe2D_kS_aaCH":0,"moe2D_kS_aaN":0,"moe2D_kS_aaaC":0,"moe2D_kS_aasC":0,"moe2D_kS_dCH2":0,"moe2D_kS_dO":0,"moe2D_kS_dsCH":0,"moe2D_kS_dsN":0,"moe2D_kS_dssC":0,"moe2D_kS_sBr":0,"moe2D_kS_sCH3":6.745,"moe2D_kS_sCl":0,"moe2D_kS_sF":0,"moe2D_kS_sNH2":0,"moe2D_kS_sOH":0,"moe2D_kS_ssCH2":7.713,"moe2D_kS_ssNH":0,"moe2D_kS_ssO":0,"moe2D_kS_sssCH":0,"moe2D_kS_sssN":2.542,"moe2D_kS_ssssC":0,"moe2D_kS_tCH":0,"moe2D_kS_tNH":0,"moe2D_kS_tsC":0,"moe2D_lip_acc":1,"moe2D_lip_don":0,"moe2D_lip_violation":0,"moe2D_logP.o.w.":3.032,"moe2D_logS":-1.075,"moe2D_mr":4.691,"moe2D_opr_brigid":0,"moe2D_opr_leadlike":1,"moe2D_opr_nring":0,"moe2D_opr_nrot":6,"moe2D_opr_violation":0,"moe2D_petitjean":0.5,"moe2D_petitjeanSC":1,"moe2D_radius":3,"moe2D_reactive":0,"moe2D_rings":0,"moe2D_vdw_area":211.5,"moe2D_vdw_vol":251.7,"moe2D_vsa_acc":0,"moe2D_vsa_don":0,"moe2D_vsa_hyd":196.5,"moe2D_vsa_other":0,"moe2D_vsa_pol":0,"moe2D_weinerPath":138,"moe2D_weinerPol":9,"moe2D_zagreb":36}