ID,Type,Sigma,SMILES
A337,p,-0.02,O=C(O)c1ccc(-c2ccsc2)cc1
B62,m,0.42,O=C(O)c1cccc(C(F)(F)Cl)c1
B460,m,0.06,O=C(O)c1cccc(COc2ccccc2)c1
B95,m,0.71,N#CN=Nc1cccc(C(=O)O)c1
A48,p,0,O=C(O)c1ccc(OP(=O)([O-])O)cc1
A416,p,0.51,O=C(O)c1ccc(-n2nc3ccccc3n2)cc1
A176,p,0.28,O=C(O)c1ccc(OC(F)(F)C(F)Cl)cc1
B11,m,0.54,O=C(O)c1cccc(P(Cl)Cl)c1
A459,p,-0.03,O=C(O)c1ccc(C(O)c2ccccc2)cc1
A21,p,0.59,O=C(O)c1ccc(P(F)F)cc1
A188,p,0.15,O=C(O)c1ccc(CSC(F)(F)F)cc1
A250,p,0.51,O=C(O)c1ccc(C#CC(F)(F)F)cc1
B251,m,0.39,O=C(O)c1cccc(/C(F)=C(\F)C(F)(F)F)c1
A3,p,0.73,O=C(O)c1ccc([Ge](Br)(Br)Br)cc1
A65,p,0.13,O=C(O)c1ccc(N=C(Cl)Cl)cc1
A153,p,0,C[Se]c1ccc(C(=O)O)cc1
A45,p,-0.37,O=C(O)c1ccc(O)cc1
B360,m,-0.23,CCN(CC)c1cccc(C(=O)O)c1
B207,m,-0.07,O=C(O)c1cccc(N2CC2)c1
A99,p,0,O=C([O-])c1ccc(C(=O)O)cc1
A26,p,0.8,O=C(O)c1ccc(P(F)(F)(F)F)cc1
A170,p,1.28,O=C(O)c1ccc(/S(=N/S(=O)(=O)C(F)(F)F)C(F)(F)F)cc1
B279,m,-0.03,O=C(O)CCc1cccc(C(=O)O)c1
A47,p,0.26,O=C(O)c1ccc(P(=O)([O-])O)cc1
A6,p,0.35,O=C(O)c1ccc([Hg]Cl)cc1
A31,p,0.91,O=Nc1ccc(C(=O)O)cc1
A404,p,0.12,O=C(O)c1ccc(-c2ccc(Br)cc2)cc1
A335,p,0.02,O=C(O)c1ccc(-c2ccco2)cc1
B57,m,0,O=C(O)c1cccc([GeH3])c1
A398,p,0.56,O=C(O)c1ccc(OP(=O)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)cc1
B178,m,0.76,O=C(O)c1cccc(/C=N/S(=O)(=O)C(F)(F)F)c1
B476,m,0.29,C/C(=N\c1cccc(C(=O)O)c1)Nc1ccccc1
B171,m,1.23,O=C(O)c1cccc(S(=O)(=NS(=O)(=O)C(F)(F)F)C(F)(F)F)c1
B335,m,0.06,O=C(O)c1cccc(-c2ccco2)c1
A447,p,0.29,O=C(O)c1ccc(-c2nc3ccccc3s2)cc1
A218,p,-0.12,O=C(O)c1ccc(OCC[O-])cc1
B18,m,0.8,O=C(O)c1cccc(S(=O)(=O)F)c1
B13,m,0.71,O=C(O)c1cccc([Ge](Cl)(Cl)Cl)c1
A417,p,-0.01,O=C(O)c1ccc(-c2ccccc2)cc1
A344,p,0.33,CC(=O)N(C(C)=O)c1ccc(C(=O)O)cc1
A155,p,-0.11,NCc1ccc(C(=O)O)cc1
A120,p,0.12,O=C(O)c1ccc(CCl)cc1
B205,m,0.26,C=CSc1cccc(C(=O)O)c1
A213,p,0.3,CO/N=C/c1ccc(C(=O)O)cc1
B265,m,0.31,O=C(O)c1cccc(/C=C/S(=O)(=O)C(F)(F)F)c1
B417,m,0.06,O=C(O)c1cccc(-c2ccccc2)c1
B387,m,-0.06,CCC(C)(C)c1cccc(C(=O)O)c1
B199,m,0.21,C=COc1cccc(C(=O)O)c1
B315,m,0.48,O=C(O)c1cccc(C2(F)C(F)(F)C(F)(F)C2(F)F)c1
B520,m,0.17,Cc1ccc(P(=O)(c2ccc(C)cc2)c2cccc(C(=O)O)c2)cc1
B145,m,0.21,COSc1cccc(C(=O)O)c1
B7,m,1.2,O=C(O)c1cccc(S(=O)(=O)Cl)c1
A356,p,0,CC[As](CC)c1ccc(C(=O)O)cc1
B172,m,0.61,O=C(O)c1cccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)c1
A210,p,-0.17,COC(=O)Nc1ccc(C(=O)O)cc1
A49,p,0.15,O=C(O)c1ccc(S)cc1
A139,p,-0.24,NC(=O)Nc1ccc(C(=O)O)cc1
A338,p,0.04,O=C(O)c1ccc(-c2ccc[se]2)cc1
A227,p,0.15,N[C+](N)SCc1ccc(C(=O)O)cc1
A29,p,0.62,O=Ic1ccc(C(=O)O)cc1
A323,p,0.96,N#CC(C#N)(C#N)c1ccc(C(=O)O)cc1
A458,p,-0.08,COc1ccc(-c2ccc(C(=O)O)cc2)cc1
B143,m,0,O=C(O)c1cccc(CO)c1
B262,m,0.53,N#CC(C#N)c1cccc(C(=O)O)c1
B492,m,-0.09,C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)c1cccc(C(=O)O)c1
A392,p,0.13,C[N+](C)(C)CCc1ccc(C(=O)O)cc1
A445,p,-0.04,CN(C)[Si](c1ccc(C(=O)O)cc1)(N(C)C)N(C)C
B217,m,0.45,NC(=S)N/N=C/c1cccc(C(=O)O)c1
B517,m,1.13,C[P+](c1ccccc1)(c1ccccc1)c1cccc(C(=O)O)c1
A136,p,0.23,C[Si](F)(F)c1ccc(C(=O)O)cc1
B229,m,0.12,C[Si](C)(F)c1cccc(C(=O)O)c1
A454,p,0.41,O=C(O)c1ccc(C(=O)Nc2ccccc2)cc1
A58,p,0.6,[NH3+]c1ccc(C(=O)O)cc1
A200,p,0.5,CC(=O)c1ccc(C(=O)O)cc1
B281,m,0.21,C=CC[Se]c1cccc(C(=O)O)c1
B220,m,0.22,NNC(=O)N/N=C/c1cccc(C(=O)O)c1
A186,p,0.24,O=C(O)c1ccc(CS(=O)C(F)(F)F)cc1
A257,p,0.48,O=C(O)c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1
A141,p,0.16,NC(=S)Nc1ccc(C(=O)O)cc1
B106,m,0.75,O=C(O)c1cccc(S(=O)(=O)C(F)F)c1
B320,m,0.51,O=C(O)c1cccc(SC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1
A151,p,0,CSc1ccc(C(=O)O)cc1
A224,p,0.77,CCS(=O)(=O)c1ccc(C(=O)O)cc1
B222,m,0.08,CC(O)c1cccc(C(=O)O)c1
B347,c,-0.48,O=C(O)c1ccc2c(c1)CCCC2
B339,m,0.06,O=C(O)c1cccc(-c2ccc[te]2)c1
B437,m,0.02,CC(C)P(c1cccc(C(=O)O)c1)C(C)C
A37,p,0.08,[N-]=[N+]=Nc1ccc(C(=O)O)cc1
A510,p,0.38,O=C(O)c1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1
A54,p,0.42,O=C(O)c1ccc(P(=O)(O)O)cc1
A204,p,0.01,O=C(O)c1ccc(C2CS2)cc1
B59,m,-0.02,NNc1cccc(C(=O)O)c1
B234,m,0.47,CS(=O)(=O)N(c1cccc(C(=O)O)c1)S(C)(=O)=O
A402,p,0.3,O=C(O)c1ccc(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
B170,m,1.18,O=C(O)c1cccc(/S(=N/S(=O)(=O)C(F)(F)F)C(F)(F)F)c1
B174,m,0.82,N#CP(C#N)c1cccc(C(=O)O)c1
B3,m,0.66,O=C(O)c1cccc([Ge](Br)(Br)Br)c1
A53,p,0.6,NS(=O)(=O)c1ccc(C(=O)O)cc1
B233,m,0.51,CN(C)S(=O)(=O)c1cccc(C(=O)O)c1
B198,m,0.05,O=C(O)c1cccc(C2CO2)c1
A496,p,0.01,CC(C)(C)c1ccc(-c2ccc(C(=O)O)cc2)cc1
A107,p,0.37,O=C(O)c1ccc(SC(F)F)cc1
A367,p,0.14,C[NH+](C)CCc1ccc(C(=O)O)cc1
A478,p,0.7,Cc1ccc(S(=O)(=O)/N=S(\C)c2ccc(C(=O)O)cc2)cc1
B48,m,0.29,O=C(O)c1cccc(OP(=O)([O-])O)c1
B91,m,1.1,N#CS(=O)(=O)c1cccc(C(=O)O)c1
B250,m,0.41,O=C(O)c1cccc(C#CC(F)(F)F)c1
B351,m,-0.07,CC(C)Cc1cccc(C(=O)O)c1
A442,p,0.98,CC[P+](CC)(CC)c1ccc(C(=O)O)cc1
B427,m,-0.02,O=C(O)c1cccc(Nc2ccccc2)c1
B461,m,0.15,O=C(O)c1cccc(CS(=O)(=O)c2ccccc2)c1
B530,m,0.34,O=C(O)c1cccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1
B73,m,1.3,O=C(O)c1cccc(/I=N/S(=O)(=O)C(F)(F)F)c1
A419,p,0.39,O=C(O)c1ccc(N=Nc2ccccc2)cc1
A364,p,0.13,CCP(CC)c1ccc(C(=O)O)cc1
B280,m,0.19,C=CCSc1cccc(C(=O)O)c1
A258,p,0.51,O=C(O)c1ccc(SC(F)(C(F)(F)F)C(F)(F)F)cc1
B416,m,0.49,O=C(O)c1cccc(-n2nc3ccccc3n2)c1
A385,p,0.32,CC(C)(C)C(=O)c1ccc(C(=O)O)cc1
A285,p,-0.15,CCOC(=O)Nc1ccc(C(=O)O)cc1
A166,p,0.28,O=C(O)c1ccc(OC(F)(F)C(F)(F)F)cc1
A409,p,-0.1,O=C(O)c1ccc(Oc2ccc(F)cc2)cc1
A256,p,1.1,O=C(O)c1ccc(S(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F)cc1
B507,m,0.29,O=C(O)c1cccc(P(=S)(c2ccccc2)c2ccccc2)c1
A212,p,0.36,CNC(=O)c1ccc(C(=O)O)cc1
A491,p,0.01,CC(C)c1ccc(-c2ccc(C(=O)O)cc2)cc1
A61,p,0.29,O=C(O)c1ccc(C(Br)(Br)Br)cc1
A502,p,0.64,O=C(O)c1ccc([As](=O)(c2ccccc2)c2ccccc2)cc1
A482,p,0.57,CCCCOP(=O)(OCCCC)c1ccc(C(=O)O)cc1
A279,p,-0.07,O=C(O)CCc1ccc(C(=O)O)cc1
B119,m,0.12,O=C(O)c1cccc(CBr)c1
A477,p,0.07,C[Si](C)(c1ccccc1)c1ccc(C(=O)O)cc1
A12,p,0.8,O=C(O)c1ccc(P(=S)(Cl)Cl)cc1
A159,p,0.52,O=C(O)c1ccc([Hg]OC(=O)C(F)(F)F)cc1
A126,p,0,O=CNc1ccc(C(=O)O)cc1
A275,p,-0.25,C=CCOc1ccc(C(=O)O)cc1
B195,m,0.46,CN(c1cccc(C(=O)O)c1)S(=O)(=O)C(F)(F)F
B506,m,0.11,O=C(O)c1cccc(P(c2ccccc2)c2ccccc2)c1
A339,p,0.03,O=C(O)c1ccc(-c2ccc[te]2)cc1
B116,m,0.3,O=C(O)c1cccc(Nc2nnns2)c1
A90,p,0.54,N#COc1ccc(C(=O)O)cc1
B394,m,0,C[Si](C)(C)O[Si](C)(C)c1cccc(C(=O)O)c1
A22,p,0.97,O=C(O)c1ccc([Ge](F)(F)F)cc1
B396,m,0.26,O=C(O)c1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1
B350,m,-0.08,CCC(C)c1cccc(C(=O)O)c1
B6,m,0.33,O=C(O)c1cccc([Hg]Cl)c1
B334,m,0.28,O=C(O)c1cccc(-c2cncnc2)c1
B376,m,0.25,N#Cc1ccc(-c2cccc(C(=O)O)c2)o1
B371,m,0.18,CN(C)P(c1cccc(C(=O)O)c1)N(C)C
B74,m,0.56,O=C(O)c1cccc(/N=N/C(F)(F)F)c1
B332,m,0.3,O=C(O)c1cccc(-c2ccncn2)c1
B443,m,0,CC[Sn](CC)(CC)c1cccc(C(=O)O)c1
B114,m,0.39,O=C(O)c1cccc(-n2nnnc2O)c1
A122,p,0.11,O=C(O)c1ccc(CF)cc1
A415,p,0.6,O=C(O)c1ccc(S(=O)c2ccc([N+](=O)[O-])cc2)cc1
B409,m,-0.08,O=C(O)c1cccc(Oc2ccc(F)cc2)c1
B98,m,0.54,[N-]=[N+]=Nc1nnnn1-c1cccc(C(=O)O)c1
B216,m,0.3,CNC(=S)c1cccc(C(=O)O)c1
B61,m,0.28,O=C(O)c1cccc(C(Br)(Br)Br)c1
A71,p,0.32,O=C(O)c1ccc([Hg]C(F)(F)F)cc1
A189,p,0.18,N#CCc1ccc(C(=O)O)cc1
B51,m,-0.16,Nc1cccc(C(=O)O)c1
B478,m,0.65,Cc1ccc(S(=O)(=O)/N=S(\C)c2cccc(C(=O)O)c2)cc1
A169,p,0.53,O=C(O)c1ccc(N(C(F)(F)F)C(F)(F)F)cc1
B237,m,1.17,Cn1c2cc(C(=O)O)ccc2n[n+]1C
B295,m,-0.12,CC(O)Cc1cccc(C(=O)O)c1
B115,m,0.45,O=C(O)c1cccc(-n2nnnc2S)c1
B322,m,0.49,O=C(O)c1cccc([Se]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1
B368,m,-0.04,C[Si](C)(C)OCc1cccc(C(=O)O)c1
A432,p,-0.08,O=C(O)c1ccc(C2=CCCCC2)cc1
B43,c,0,O=C(O)c1ccccc1
A33,p,0.7,O=C(O)c1ccc(O[N+](=O)[O-])cc1
A154,p,-0.7,CNc1ccc(C(=O)O)cc1
A124,p,0.2,O=C(O)c1ccc(SCF)cc1
A301,p,0.43,C[NH+](C)Cc1ccc(C(=O)O)cc1
A76,p,0.69,O=C(O)c1ccc(S(=O)C(F)(F)F)cc1
A201,p,0.44,CC(=O)Sc1ccc(C(=O)O)cc1
B53,m,0.53,NS(=O)(=O)c1cccc(C(=O)O)c1
A199,p,-0.09,C=COc1ccc(C(=O)O)cc1
B445,m,-0.04,CN(C)[Si](c1cccc(C(=O)O)c1)(N(C)C)N(C)C
A233,p,0.65,CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1
B240,m,0.03,CP(C)c1cccc(C(=O)O)c1
A408,p,0.06,O=C(O)c1ccc(-c2ccc(F)cc2)cc1
B321,m,0.51,O=C(O)c1cccc(C(SC(F)(F)F)(SC(F)(F)F)SC(F)(F)F)c1
B259,m,0.46,O=C(O)c1cccc([Te]C(F)(F)C(F)(F)C(F)(F)F)c1
A198,p,0.03,O=C(O)c1ccc(C2CO2)cc1
B424,m,0.62,O=C(O)c1cccc(S(=O)(=O)c2ccccc2)c1
B340,m,0.47,O=C(O)c1cccc(-n2cccc2)c1
B303,m,0.13,C[Si](C)(C)Oc1cccc(C(=O)O)c1
A231,p,-0.83,CN(C)c1ccc(C(=O)O)cc1
B160,m,0.63,O=C(O)c1cccc(C(=O)C(F)(F)F)c1
B410,m,0.13,O=C(O)c1cccc(-c2cccc(I)c2)c1
B442,m,0.99,CC[P+](CC)(CC)c1cccc(C(=O)O)c1
B353,m,0.1,CCCCOc1cccc(C(=O)O)c1
A229,p,0.17,C[Si](C)(F)c1ccc(C(=O)O)cc1
A214,p,0.07,NC(=O)Cc1ccc(C(=O)O)cc1
A328,p,0.46,O=C(O)c1ccc(N2C(=O)CC(Cl)C2=O)cc1
B511,m,0.17,O=C(O)c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1
A352,p,-0.16,CCCCc1ccc(C(=O)O)cc1
A123,p,0.02,O=C(O)c1ccc(OCF)cc1
A193,p,-0.04,C=Cc1ccc(C(=O)O)cc1
B294,m,0.1,CCCOc1cccc(C(=O)O)c1
B69,c,0.36,O=C(O)c1ccc2c(c1)OC(F)(F)O2
A133,p,-0.17,Cc1ccc(C(=O)O)cc1
B433,m,-0.05,O=C(O)c1cccc(C2CCCCC2)c1
B139,m,-0.03,NC(=O)Nc1cccc(C(=O)O)c1
A441,p,0.08,CCO[Si](OCC)(OCC)c1ccc(C(=O)O)cc1
B270,m,-0.07,O=C(O)c1cccc(C2CC2)c1
B102,m,0.38,O=C(O)c1cccc(OC(Cl)Cl)c1
B471,m,-0.07,COc1ccc(/C=N/c2cccc(C(=O)O)c2)cc1
A260,p,0.3,O=C(O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
B241,m,1,C[S+](C)c1cccc(C(=O)O)c1
B49,m,0.25,O=C(O)c1cccc(S)c1
B131,m,0.59,NC(=O)N=[N+]([O-])c1cccc(C(=O)O)c1
A223,p,0.01,COCc1ccc(C(=O)O)cc1
A354,p,-0.17,CC(C)(O)Cc1ccc(C(=O)O)cc1
B71,m,0.29,O=C(O)c1cccc([Hg]C(F)(F)F)c1
B418,m,0.69,O=C(O)c1cccc(/[N+]([O-])=N/S(=O)(=O)c2ccccc2)c1
A516,p,0.3,Cc1ccc(P(=S)(c2ccccc2)c2ccc(C(=O)O)cc2)cc1
B12,m,0.7,O=C(O)c1cccc(P(=S)(Cl)Cl)c1
A425,p,0.33,O=C(O)c1ccc(OS(=O)(=O)c2ccccc2)cc1
B308,m,0,C[Sn](C)(C)c1cccc(C(=O)O)c1
A474,p,-0.02,CCc1ccc(-c2ccc(C(=O)O)cc2)cc1
B47,m,0.2,O=C(O)c1cccc(P(=O)([O-])O)c1
B331,m,0.6,CC(C#N)(C#N)c1cccc(C(=O)O)c1
A56,p,-0.44,O=C(O)c1ccc([B-](O)(O)O)cc1
A100,p,0.32,O=C(O)c1ccc(C(Br)Br)cc1
B521,m,0.2,Cc1ccc(P(=S)(c2ccc(C)cc2)c2cccc(C(=O)O)c2)cc1
A452,p,0.42,O=C(O)c1ccc(/C=N/c2ccccc2)cc1
B434,m,-0.26,CCCN(CCC)c1cccc(C(=O)O)c1
A523,p,1.18,Cc1ccc([P+](C)(c2ccc(C)cc2)c2ccc(C(=O)O)cc2)cc1
A520,p,0.3,Cc1ccc(P(=O)(c2ccc(C)cc2)c2ccc(C(=O)O)cc2)cc1
A412,p,0.2,O=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1
A314,p,1.34,O=C(O)c1ccc(I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)cc1
B177,m,0.3,O=C(O)c1cccc(NC(=O)C(F)(F)F)c1
B129,m,0.22,O=C(O)c1cccc(/C=N/O)c1
B26,m,0.63,O=C(O)c1cccc(P(F)(F)(F)F)c1
B93,m,0.51,N#CSc1cccc(C(=O)O)c1
A427,p,-0.56,O=C(O)c1ccc(Nc2ccccc2)cc1
B253,m,0.44,O=C(O)c1cccc(C(F)(F)C(F)(F)C(F)(F)F)c1
A436,p,0.41,CC(C)P(=O)(c1ccc(C(=O)O)cc1)C(C)C
B391,m,0.12,CCOP(=O)(Cc1cccc(C(=O)O)c1)OCC
B200,m,0.38,CC(=O)c1cccc(C(=O)O)c1
B287,c,0,O=C(O)c1ccc2c(c1)OCCCO2
A142,p,-0.27,COc1ccc(C(=O)O)cc1
B219,m,-0.07,CCc1cccc(C(=O)O)c1
A434,p,-0.93,CCCN(CCC)c1ccc(C(=O)O)cc1
A307,p,-0.07,C[Si](C)(C)c1ccc(C(=O)O)cc1
A377,p,-0.05,O=Cc1ccc(-c2ccc(C(=O)O)cc2)o1
A359,p,-0.51,CCCCNc1ccc(C(=O)O)cc1
A209,p,0.12,CN1OC1c1ccc(C(=O)O)cc1
A278,p,0.05,CC(=O)OCc1ccc(C(=O)O)cc1
A97,p,0.82,O=C(O)c1ccc(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])cc1
B514,m,0.13,Cc1ccc(P(=O)(c2ccccc2)c2cccc(C(=O)O)c2)cc1
A38,p,-0.81,O=C(O)c1ccc([O-])cc1
A512,p,-0.05,O=C(O)c1ccc(C(c2ccccc2)c2ccccc2)cc1
A17,p,0.83,O=C(O)c1ccc(S(=O)F)cc1
A261,p,0.44,O=C(O)c1ccc(C(SC(F)(F)F)SC(F)(F)F)cc1
A66,p,0.46,O=C(O)c1ccc(C(Cl)(Cl)Cl)cc1
B97,m,0.72,O=C(O)c1cccc(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])c1
A302,p,-0.02,CO[Si](C)(C)c1ccc(C(=O)O)cc1
B40,m,0.3,O=C(O)c1cccc(S(=O)(=O)[O-])c1
A446,p,0.33,O=C(O)c1ccc(-c2nc3ccccc3o2)cc1
B465,m,0.34,O=C(O)c1cccc(C(F)(F)C(F)(F)c2ccc(F)cc2)c1
B449,m,0.21,O=C(O)c1cccc(OC(=O)c2ccccc2)c1
A244,p,0.04,C[SiH](C)c1ccc(C(=O)O)cc1
A263,p,0.17,O=C(O)c1ccc(/C=C\C(F)(F)F)cc1
B183,m,0.31,O=C(O)c1cccc(S/C=C/Cl)c1
A51,p,-0.66,Nc1ccc(C(=O)O)cc1
B162,m,0.56,O=C(O)c1cccc(OC(=O)C(F)(F)F)c1
B420,m,0.25,O=C(O)c1cccc(Oc2ccccc2)c1
A167,p,1.08,O=C(O)c1ccc(S(=O)(=O)C(F)(F)C(F)(F)F)cc1
B358,m,0.52,CC[As](=S)(CC)c1cccc(C(=O)O)c1
A219,p,-0.15,CCc1ccc(C(=O)O)cc1
B300,m,0.88,C[N+](C)(C)c1cccc(C(=O)O)c1
B327,m,0.33,O=C(O)c1cccc(N2C(=O)C=CC2=O)c1
B8,m,0.44,O=C(O)c1cccc(SCl)c1
B412,m,0.21,O=C(O)c1cccc(-c2cccc([N+](=O)[O-])c2)c1
A211,p,0,CC(=O)Nc1ccc(C(=O)O)cc1
A296,p,-0.14,CC(C)(OO)c1ccc(C(=O)O)cc1
B142,m,0.12,COc1cccc(C(=O)O)c1
B467,m,0.39,O=C(O)c1cccc(/C=N/C(=O)c2ccccc2)c1
B324,m,0.36,O=C(O)c1cccc(C2(O)C(F)(F)C(F)(F)C2(F)F)c1
B370,m,0.3,CN(C)P(=O)(c1cccc(C(=O)O)c1)N(C)C
A464,p,-0.01,C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)c1ccc(C(=O)O)cc1
A293,p,-0.45,CC(C)Oc1ccc(C(=O)O)cc1
B435,m,-0.08,CN(C)CCCCc1cccc(C(=O)O)c1
A74,p,0.68,O=C(O)c1ccc(N=NC(F)(F)F)cc1
A265,p,0.55,O=C(O)c1ccc(/C=C/S(=O)(=O)C(F)(F)F)cc1
A46,p,-0.07,O=C(O)c1ccc(S(=O)O)cc1
A128,p,0.3,NC(=S)c1ccc(C(=O)O)cc1
B402,m,0.26,O=C(O)c1cccc(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1
A50,p,0.12,O=C(O)c1ccc(B(O)O)cc1
B214,m,0.06,NC(=O)Cc1cccc(C(=O)O)c1
B522,m,1.09,Cc1ccc([P+](C)(c2ccccc2)c2cccc(C(=O)O)c2)cc1
A252,p,0.23,O=C(O)c1ccc(N=C(C(F)(F)F)C(F)(F)F)cc1
B181,m,0.63,O=C(O)c1cccc(-n2nnnc2SS2=NN=NN2)c1
B526,m,-0.33,O=C(O)c1cccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1
B438,m,0.38,CCCOP(=O)(OCCC)c1cccc(C(=O)O)c1
B21,m,0.49,O=C(O)c1cccc(P(F)F)c1
B274,m,0.56,CCC(c1cccc(C(=O)O)c1)([N+](=O)[O-])[N+](=O)[O-]
A36,p,-0.43,O=C(O)c1ccc(N=[N+]([O-])[O-])cc1
A34,p,1.91,N#[N+]c1ccc(C(=O)O)cc1
A180,p,0.47,O=C(O)c1ccc(SC(F)(F)C(F)F)cc1
A221,p,-0.24,CCOc1ccc(C(=O)O)cc1
B408,m,0.12,O=C(O)c1cccc(-c2ccc(F)cc2)c1
B307,m,-0.04,C[Si](C)(C)c1cccc(C(=O)O)c1
B238,m,0.43,CP(C)(=O)c1cccc(C(=O)O)c1
B128,m,0.25,NC(=S)c1cccc(C(=O)O)c1
A60,p,0.1,O=C(O)c1ccc([SiH3])cc1
B455,m,0.06,Cc1ccc(-c2cccc(C(=O)O)c2)cc1
B344,m,0.35,CC(=O)N(C(C)=O)c1cccc(C(=O)O)c1
B226,m,0.38,CN(C)P(Cl)c1cccc(C(=O)O)c1
A460,p,0.07,O=C(O)c1ccc(COc2ccccc2)cc1
A380,p,0.44,O=C(O)c1ccc(-c2ccncc2)cc1
A27,p,0.68,O=C(O)c1ccc(S(F)(F)(F)(F)F)cc1
B70,m,0.43,O=C(O)c1cccc(C(F)(F)F)c1
B306,m,0.74,C[P+](C)(C)c1cccc(C(=O)O)c1
A10,p,0.9,O=C(O)c1ccc(P(=O)(Cl)Cl)cc1
A274,p,0.64,CCC(c1ccc(C(=O)O)cc1)([N+](=O)[O-])[N+](=O)[O-]
A109,p,0.39,O=C(O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
A393,p,-0.17,C[Si](C)(C)CCc1ccc(C(=O)O)cc1
A395,p,0.24,O=C(O)c1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1
B235,m,0.12,CN(C)Sc1cccc(C(=O)O)c1
B283,m,0.31,CC(=O)N(C)c1cccc(C(=O)O)c1
B337,m,0.03,O=C(O)c1cccc(-c2ccsc2)c1
A490,p,0.05,O=C(O)c1ccc(/C=C/C(=O)c2ccccc2)cc1
B156,m,0.2,CS(=O)(=O)Nc1cccc(C(=O)O)c1
B330,c,0.04,O=C(O)c1ccc2ccccc2c1
B197,m,0.54,CC(c1cccc(C(=O)O)c1)([N+](=O)[O-])[N+](=O)[O-]
B221,m,0.1,CCOc1cccc(C(=O)O)c1
A254,p,0.53,O=C(O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1
A240,p,0.06,CP(C)c1ccc(C(=O)O)cc1
B367,m,0.24,C[NH+](C)CCc1cccc(C(=O)O)c1
A421,p,0.44,O=C(O)c1ccc(S(=O)c2ccccc2)cc1
B150,m,0.39,CS(=O)(=O)Oc1cccc(C(=O)O)c1
A526,p,-0.77,O=C(O)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
A89,p,0.19,O=C=Nc1ccc(C(=O)O)cc1
A161,p,0.46,O=C(O)c1ccc(SC(=O)C(F)(F)F)cc1
B357,m,0.57,CC[As](=O)(CC)c1cccc(C(=O)O)c1
A1,p,0.48,O=C(O)c1ccc(B(F)F)cc1
B343,m,0.85,CC(=O)OI(OC(C)=O)c1cccc(C(=O)O)c1
B107,m,0.33,O=C(O)c1cccc(SC(F)F)c1
B519,m,0.36,O=C(O)c1cccc(C(=O)OC(c2ccccc2)c2ccccc2)c1
A264,p,0.27,O=C(O)c1ccc(/C=C/C(F)(F)F)cc1
A303,p,-0.27,C[Si](C)(C)Oc1ccc(C(=O)O)cc1
B135,m,0.31,C[Si](Cl)(Cl)c1cccc(C(=O)O)c1
A238,p,0.5,CP(C)(=O)c1ccc(C(=O)O)cc1
B154,m,-0.21,CNc1cccc(C(=O)O)c1
A492,p,-0.01,C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)c1ccc(C(=O)O)cc1
B242,m,1.06,Cc1ccc(S(=O)(=O)S(C)(C)c2cccc(C(=O)O)c2)cc1
A481,p,0.49,CCCCP(=O)(CCCC)c1ccc(C(=O)O)cc1
B378,m,0.33,O=C(O)c1cccc(-c2ccccn2)c1
A272,p,-0.09,C/C=C/c1ccc(C(=O)O)cc1
B92,m,0.48,O=C(O)c1cccc(N=C=S)c1
B256,m,0.92,O=C(O)c1cccc(S(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F)c1
B472,m,0.09,COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
B389,m,-0.08,CCCCCc1cccc(C(=O)O)c1
A501,p,0.09,O=C(O)c1ccc([As](c2ccccc2)c2ccccc2)cc1
B444,m,1.24,O=C(O)c1cccc(P(=NS(=O)(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)c1
B527,m,-0.03,O=C(O)c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
B525,m,0.65,Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1cccc(C(=O)O)c1
A271,p,0.05,C=C(C)c1ccc(C(=O)O)cc1
B206,m,0.26,C=C[Se]c1cccc(C(=O)O)c1
B10,m,0.78,O=C(O)c1cccc(P(=O)(Cl)Cl)c1
B361,m,0.37,CCP(=O)(CC)c1cccc(C(=O)O)c1
B468,m,0.03,O=C(O)c1cccc(C=Cc2ccccc2)c1
B132,c,-0.16,O=C(O)c1ccc2c(c1)OCO2
A324,p,0.37,O=C(O)c1ccc(C2(O)C(F)(F)C(F)(F)C2(F)F)cc1
A514,p,0.3,Cc1ccc(P(=O)(c2ccccc2)c2ccc(C(=O)O)cc2)cc1
B124,m,0.23,O=C(O)c1cccc(SCF)c1
B204,m,0.04,O=C(O)c1cccc(C2CS2)c1
B231,m,-0.16,CN(C)c1cccc(C(=O)O)c1
B20,m,0.81,O=C(O)c1cccc(P(=O)(F)F)c1
B168,m,0.44,O=C(O)c1cccc(SC(F)(F)C(F)(F)F)c1
B266,m,0.24,N#C/C=C/c1cccc(C(=O)O)c1
B118,m,0.37,O=C(O)c1cccc(C(=O)O)c1
A426,p,0.07,O=C(O)c1ccc(Sc2ccccc2)cc1
A2,p,0.23,O=C(O)c1ccc(Br)cc1
B46,m,-0.04,O=C(O)c1cccc(S(=O)O)c1
B282,c,-0.26,O=C(O)c1ccc2c(c1)CCC2
A497,p,-0.13,O=C(O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
B236,m,-0.05,CN(C)/N=N\c1cccc(C(=O)O)c1
A106,p,0.86,O=C(O)c1ccc(S(=O)(=O)C(F)F)cc1
A121,p,0.08,O=C(O)c1ccc(OCCl)cc1
B111,m,0.21,N#CNc1cccc(C(=O)O)c1
B176,m,0.35,O=C(O)c1cccc(OC(F)(F)C(F)Cl)c1
B164,c,0.81,O=C(O)c1ccc2c(c1)C(F)(F)OC2(F)F
B395,m,0.25,O=C(O)c1cccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1
B63,m,0.6,O=C(O)c1cccc(-n2nnnc2Cl)c1
A114,p,0.33,O=C(O)c1ccc(-n2nnnc2O)cc1
A291,p,-0.26,CCNC(=O)Nc1ccc(C(=O)O)cc1
A327,p,0.27,O=C(O)c1ccc(N2C(=O)C=CC2=O)cc1
A515,p,0.01,O=C(O)c1ccc(CP(=O)(c2ccccc2)c2ccccc2)cc1
B80,m,0.56,O=C(O)c1cccc(OS(=O)(=O)C(F)(F)F)c1
A110,p,0.26,O=C(O)c1ccc(C(I)I)cc1
A242,p,0.96,Cc1ccc(S(=O)(=O)S(C)(C)c2ccc(C(=O)O)cc2)cc1
A430,p,-0.13,CCc1ccc(-c2ccc(C(=O)O)cc2)o1
B94,m,0.61,N#C[Se]c1cccc(C(=O)O)c1
A32,p,0.78,O=C(O)c1ccc([N+](=O)[O-])cc1
B179,m,0.34,O=C(O)c1cccc(OC(F)(F)C(F)F)c1
A44,p,0.57,O=C(O)c1ccc(N[N+](=O)[O-])cc1
B189,m,0.16,N#CCc1cccc(C(=O)O)c1
B430,m,0.09,CCc1ccc(-c2cccc(C(=O)O)c2)o1
A349,p,-0.2,CC(C)(C)c1ccc(C(=O)O)cc1
B423,m,0.38,CC1=CC=CC(c2cccc(C(=O)O)c2)O1
A345,p,-0.14,O=C(O)c1ccc(C2CCC2)cc1
B17,m,0.74,O=C(O)c1cccc(S(=O)F)c1
A340,p,0.37,O=C(O)c1ccc(-n2cccc2)cc1
B41,m,-0.36,O=C(O)c1cccc([S-])c1
B447,m,0.27,O=C(O)c1cccc(-c2nc3ccccc3s2)c1
B441,m,0.02,CCO[Si](OCC)(OCC)c1cccc(C(=O)O)c1
A435,p,-0.16,CN(C)CCCCc1ccc(C(=O)O)cc1
A295,p,-0.17,CC(O)Cc1ccc(C(=O)O)cc1
B42,m,0,O=C(O)c1cccc([As](=O)([O-])O)c1
A72,p,0.42,O=C(O)c1ccc([Hg]SC(F)(F)F)cc1
A467,p,0.51,O=C(O)c1ccc(/C=N/C(=O)c2ccccc2)cc1
A439,p,0,CC[Ge](CC)(CC)c1ccc(C(=O)O)cc1
B64,m,0.51,O=C(O)c1cccc(C(=O)Cl)c1
A507,p,0.47,O=C(O)c1ccc(P(=S)(c2ccccc2)c2ccccc2)cc1
B103,m,0.29,O=C(O)c1cccc(C(F)F)c1
A94,p,0.66,N#C[Se]c1ccc(C(=O)O)cc1
A194,p,-0.03,O=C(CCl)Nc1ccc(C(=O)O)cc1
A119,p,0.14,O=C(O)c1ccc(CBr)cc1
B55,m,0.06,O=C(O)c1cccc(P)c1
B72,m,0.39,O=C(O)c1cccc([Hg]SC(F)(F)F)c1
A346,p,0.47,CC(C)C(=O)c1ccc(C(=O)O)cc1
B16,m,0.34,O=C(O)c1cccc([Hg]F)c1
A216,p,0.34,CNC(=S)c1ccc(C(=O)O)cc1
B268,m,0.41,CN(C(=O)C(F)(F)F)c1cccc(C(=O)O)c1
A156,p,0.03,CS(=O)(=O)Nc1ccc(C(=O)O)cc1
A143,p,0,O=C(O)c1ccc(CO)cc1
A369,p,-0.21,C[Si](C)(C)Cc1ccc(C(=O)O)cc1
B436,m,0.37,CC(C)P(=O)(c1cccc(C(=O)O)c1)C(C)C
B299,m,0,C[Ge](C)(C)c1cccc(C(=O)O)c1
B456,m,-0.08,O=C(O)c1cccc(Cc2ccccc2)c1
B257,m,0.45,O=C(O)c1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1
B244,m,0.01,C[SiH](C)c1cccc(C(=O)O)c1
A505,p,0.53,O=C(O)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
B211,m,0.21,CC(=O)Nc1cccc(C(=O)O)c1
A448,p,0.43,O=C(O)c1ccc(C(=O)c2ccccc2)cc1
B77,m,0.81,O=C(O)c1cccc([Se](=O)C(F)(F)F)c1
B89,m,0.27,O=C=Nc1cccc(C(=O)O)c1
B147,m,0.5,COS(=O)c1cccc(C(=O)O)c1
B466,m,0.14,O=C(O)c1cccc(C#Cc2ccccc2)c1
B464,m,-0.02,C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)c1cccc(C(=O)O)c1
B159,m,0.5,O=C(O)c1cccc([Hg]OC(=O)C(F)(F)F)c1
A80,p,0.53,O=C(O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
A527,p,0.1,O=C(O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
B34,m,1.76,N#[N+]c1cccc(C(=O)O)c1
A103,p,0.32,O=C(O)c1ccc(C(F)F)cc1
A431,p,0.38,Cc1ccc(C)n1-c1ccc(C(=O)O)cc1
A440,p,-0.01,C[N+](C)(C)CCCc1ccc(C(=O)O)cc1
A292,p,0.07,CCNC(=S)Nc1ccc(C(=O)O)cc1
A357,p,0.44,CC[As](=O)(CC)c1ccc(C(=O)O)cc1
B144,m,0.52,CS(=O)c1cccc(C(=O)O)c1
A413,p,0.26,O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
A24,p,0.69,O=C(O)c1ccc([Si](F)(F)F)cc1
B141,m,0.22,NC(=S)Nc1cccc(C(=O)O)c1
B190,m,0.32,O=C(O)c1cccc(C=C[N+](=O)[O-])c1
B349,m,-0.1,CC(C)(C)c1cccc(C(=O)O)c1
A360,p,-0.72,CCN(CC)c1ccc(C(=O)O)cc1
A358,p,0.44,CC[As](=S)(CC)c1ccc(C(=O)O)cc1
A160,p,0.8,O=C(O)c1ccc(C(=O)C(F)(F)F)cc1
B292,m,0.3,CCNC(=S)Nc1cccc(C(=O)O)c1
A78,p,0.96,O=C(O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
B524,m,0.05,O=C(O)c1cccc([Ge](c2ccccc2)(c2ccccc2)c2ccccc2)c1
A181,p,0.64,O=C(O)c1ccc(-n2nnnc2SS2=NN=NN2)cc1
A64,p,0.61,O=C(O)c1ccc(C(=O)Cl)cc1
B393,m,-0.16,C[Si](C)(C)CCc1cccc(C(=O)O)c1
B458,m,0.05,COc1ccc(-c2cccc(C(=O)O)c2)cc1
A288,p,-0.15,CC(C)c1ccc(C(=O)O)cc1
B364,m,0.1,CCP(CC)c1cccc(C(=O)O)c1
B33,m,0.55,O=C(O)c1cccc(O[N+](=O)[O-])c1
B108,m,0.72,N=S(=O)(c1cccc(C(=O)O)c1)C(F)(F)F
A333,p,0.53,O=C(O)c1ccc(-c2ncccn2)cc1
A225,p,0.03,CCSc1ccc(C(=O)O)cc1
B15,m,0.34,O=C(O)c1cccc(F)c1
B192,m,0.12,N#CSCc1cccc(C(=O)O)c1
B413,m,0.25,O=C(O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1
A322,p,0.54,O=C(O)c1ccc([Se]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1
B474,m,0.07,CCc1ccc(-c2cccc(C(=O)O)c2)cc1
A297,p,0.07,CC(C)Sc1ccc(C(=O)O)cc1
A251,p,0.46,O=C(O)c1ccc(/C(F)=C(\F)C(F)(F)F)cc1
A305,p,0.13,CO[Si](OC)(OC)c1ccc(C(=O)O)cc1
A184,p,0.26,O=C(O)c1ccc([Se]/C=C/Cl)cc1
B255,m,0.92,O=C(O)c1cccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c1
A73,p,1.35,O=C(O)c1ccc(I=NS(=O)(=O)C(F)(F)F)cc1
A383,p,0.03,CCOC(=O)/C=C/c1ccc(C(=O)O)cc1
B30,m,0.68,O=C(O)c1cccc(I(=O)=O)c1
A145,p,0.17,COSc1ccc(C(=O)O)cc1
A111,p,0.06,N#CNc1ccc(C(=O)O)cc1
A389,p,-0.15,CCCCCc1ccc(C(=O)O)cc1
A98,p,0.54,[N-]=[N+]=Nc1nnnn1-c1ccc(C(=O)O)cc1
B19,m,0.85,O=C(O)c1cccc(I(F)F)c1
A513,p,0.07,CN1c2ccccc2[As](c2ccc(C(=O)O)cc2)c2ccccc21
B212,m,0.35,CNC(=O)c1cccc(C(=O)O)c1
A93,p,0.52,N#CSc1ccc(C(=O)O)cc1
B407,m,0.15,O=C(O)c1cccc(-c2cccc(F)c2)c1
A215,p,0.12,CC(=S)Nc1ccc(C(=O)O)cc1
A172,p,0.83,O=C(O)c1ccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)cc1
B352,m,-0.08,CCCCc1cccc(C(=O)O)c1
A168,p,0.48,O=C(O)c1ccc(SC(F)(F)C(F)(F)F)cc1
A318,p,0.52,O=C(O)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
B439,m,0,CC[Ge](CC)(CC)c1cccc(C(=O)O)c1
A317,p,0.55,O=C(O)c1ccc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1
B356,m,0.22,CC[As](CC)c1cccc(C(=O)O)c1
A102,p,0.26,O=C(O)c1ccc(OC(Cl)Cl)cc1
B100,m,0.31,O=C(O)c1cccc(C(Br)Br)c1
A79,p,1.21,O=C(O)c1ccc([Se](=O)(=O)C(F)(F)F)cc1
A294,p,-0.25,CCCOc1ccc(C(=O)O)cc1
B273,m,-0.11,C=CCc1cccc(C(=O)O)c1
B323,m,0.97,N#CC(C#N)(C#N)c1cccc(C(=O)O)c1
B317,m,0.55,O=C(O)c1cccc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1
B79,m,1.08,O=C(O)c1cccc([Se](=O)(=O)C(F)(F)F)c1
A276,p,0.48,CCC(=O)c1ccc(C(=O)O)cc1
A466,p,0.16,O=C(O)c1ccc(C#Cc2ccccc2)cc1
B37,m,0.37,[N-]=[N+]=Nc1cccc(C(=O)O)c1
A471,p,-0.54,COc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1
A23,p,0.8,O=C(O)c1ccc(S(F)(F)F)cc1
A375,p,0.98,N#CC(C#N)=C(C#N)c1ccc(C(=O)O)cc1
B379,m,0.23,O=C(O)c1cccc(-c2cccnc2)c1
A262,p,0.52,N#CC(C#N)c1ccc(C(=O)O)cc1
A253,p,0.48,O=C(O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1
B329,m,0.28,O=C(O)c1cccc(-c2cccnn2)c1
B153,m,0.1,C[Se]c1cccc(C(=O)O)c1
B480,m,0.31,CC(C)(C)P(=O)(c1cccc(C(=O)O)c1)C(C)(C)C
A461,p,0.16,O=C(O)c1ccc(CS(=O)(=O)c2ccccc2)cc1
B513,m,0.12,CN1c2ccccc2[As](c2cccc(C(=O)O)c2)c2ccccc21
A450,p,0.44,O=C(O)c1ccc(C(=O)Oc2ccccc2)cc1
B399,m,0.28,O=C(O)c1cccc(NP(=O)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)c1
B83,m,0.28,N#C[Hg]c1cccc(C(=O)O)c1
B101,m,0.31,O=C(O)c1cccc(C(Cl)Cl)c1
A429,p,0.65,O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
A158,p,0.57,O=C(O)c1ccc(N(C(=O)F)C(=O)F)cc1
B136,m,0.29,C[Si](F)(F)c1cccc(C(=O)O)c1
B377,m,0.22,O=Cc1ccc(-c2cccc(C(=O)O)c2)o1
B380,m,0.27,O=C(O)c1cccc(-c2ccncc2)c1
B155,m,-0.03,NCc1cccc(C(=O)O)c1
A382,p,-0.05,O=C(O)c1ccc(C2=CCCC2)cc1
A320,p,0.58,O=C(O)c1ccc(SC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1
B428,m,0.16,O=C(O)c1cccc(NS(=O)(=O)c2ccccc2)c1
A411,p,0.1,O=C(O)c1ccc(-c2ccc(I)cc2)cc1
B25,m,1.07,O=C(O)c1cccc(I(F)(F)(F)F)c1
A300,p,0.82,C[N+](C)(C)c1ccc(C(=O)O)cc1
A378,p,0.17,O=C(O)c1ccc(-c2ccccn2)cc1
B39,m,-0.02,O=C(O)c1cccc(S(=O)[O-])c1
B188,m,0.12,O=C(O)c1cccc(CSC(F)(F)F)c1
A185,p,0.09,O=C(O)c1ccc(CC(F)(F)F)cc1
A30,p,0.78,O=C(O)c1ccc(I(=O)=O)cc1
B473,m,0.65,Cc1ccc(S(=O)(=O)/N=C/Sc2cccc(C(=O)O)c2)cc1
B431,m,0.49,Cc1ccc(C)n1-c1cccc(C(=O)O)c1
B515,m,0.14,O=C(O)c1cccc(CP(=O)(c2ccccc2)c2ccccc2)c1
A118,p,0.45,O=C(O)c1ccc(C(=O)O)cc1
B76,m,0.63,O=C(O)c1cccc(S(=O)C(F)(F)F)c1
A298,p,0.01,CN(C)Cc1ccc(C(=O)O)cc1
A366,p,0.44,C[N+](C)(C)Cc1ccc(C(=O)O)cc1
A449,p,0.13,O=C(O)c1ccc(OC(=O)c2ccccc2)cc1
B403,m,0.09,O=C(O)c1cccc(-c2cccc(Br)c2)c1
A386,p,-0.05,CCCCOC(=O)Nc1ccc(C(=O)O)cc1
A308,p,0,C[Sn](C)(C)c1ccc(C(=O)O)cc1
B232,m,0.21,CN(c1cccc(C(=O)O)c1)S(C)(=O)=O
A396,p,0.27,O=C(O)c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1
A465,p,0.39,O=C(O)c1ccc(C(F)(F)C(F)(F)c2ccc(F)cc2)cc1
B202,m,0.39,CC(=O)Oc1cccc(C(=O)O)c1
B319,m,0.96,O=C(O)c1cccc(S(=O)(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1
A438,p,0.5,CCCOP(=O)(OCCC)c1ccc(C(=O)O)cc1
A319,p,1.13,O=C(O)c1ccc(S(=O)(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1
B191,m,0.07,O=C([O-])Cc1cccc(C(=O)O)c1
A18,p,0.91,O=C(O)c1ccc(S(=O)(=O)F)cc1
A175,p,0.23,C#Cc1ccc(C(=O)O)cc1
B296,m,0.06,CC(C)(OO)c1cccc(C(=O)O)c1
A68,p,0.7,O=C(O)c1ccc(C(=O)F)cc1
A443,p,0,CC[Sn](CC)(CC)c1ccc(C(=O)O)cc1
A234,p,0.49,CS(=O)(=O)N(c1ccc(C(=O)O)cc1)S(C)(=O)=O
B208,m,-0.06,O=C(O)c1cccc(C2CN2)c1
B496,m,0.07,CC(C)(C)c1ccc(-c2cccc(C(=O)O)c2)cc1
A241,p,0.9,C[S+](C)c1ccc(C(=O)O)cc1
A239,p,0.53,COP(=O)(OC)c1ccc(C(=O)O)cc1
A379,p,0.25,O=C(O)c1ccc(-c2cccnc2)cc1
A355,p,-0.04,COC(OC)(OC)c1ccc(C(=O)O)cc1
A321,p,0.53,O=C(O)c1ccc(C(SC(F)(F)F)(SC(F)(F)F)SC(F)(F)F)cc1
B146,m,0.44,CS(=O)Oc1cccc(C(=O)O)c1
B457,m,0.27,Cc1ccc(O)c(/N=N/c2cccc(C(=O)O)c2)c1
A483,p,0.15,CC(C)(C)P(c1ccc(C(=O)O)cc1)C(C)(C)C
A235,p,0.09,CN(C)Sc1ccc(C(=O)O)cc1
A25,p,1.15,O=C(O)c1ccc(I(F)(F)(F)F)cc1
B133,m,-0.07,Cc1cccc(C(=O)O)c1
B301,m,0.4,C[NH+](C)Cc1cccc(C(=O)O)c1
A148,p,0.72,CS(=O)(=O)c1ccc(C(=O)O)cc1
B167,m,0.92,O=C(O)c1cccc(S(=O)(=O)C(F)(F)C(F)(F)F)c1
A255,p,1.09,O=C(O)c1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
B325,m,0.66,N#CC(C#N)=Cc1cccc(C(=O)O)c1
B422,m,0.24,CC(=O)c1ccc(-c2cccc(C(=O)O)c2)o1
A4,p,0.57,O=C(O)c1ccc([Si](Br)(Br)Br)cc1
A350,p,-0.12,CCC(C)c1ccc(C(=O)O)cc1
B333,m,0.23,O=C(O)c1cccc(-c2ncccn2)c1
B260,m,0.29,O=C(O)c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1
B130,c,-0.15,O=C(O)c1ccc2[nH]cnc2c1
B137,m,0.43,C[Hg]c1cccc(C(=O)O)c1
A217,p,0.4,NC(=S)N/N=C/c1ccc(C(=O)O)cc1
A178,p,1,O=C(O)c1ccc(/C=N/S(=O)(=O)C(F)(F)F)cc1
A509,p,0.38,O=C(O)c1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1
B415,m,0.58,O=C(O)c1cccc(S(=O)c2ccc([N+](=O)[O-])cc2)c1
A405,p,0.1,O=C(O)c1ccc(-c2cccc(Cl)c2)cc1
A40,p,0.35,O=C(O)c1ccc(S(=O)(=O)[O-])cc1
A410,p,0.06,O=C(O)c1ccc(-c2cccc(I)c2)cc1
A203,p,0.45,COC(=O)c1ccc(C(=O)O)cc1
B508,m,0.2,CCCN(CCC)P(c1cccc(F)c1)c1cccc(C(=O)O)c1
B52,m,-0.04,O=C(O)c1cccc(NO)c1
A451,p,-0.55,O=C(O)c1ccc(/N=C/c2ccccc2)cc1
B288,m,-0.04,CC(C)c1cccc(C(=O)O)c1
B4,m,0.48,O=C(O)c1cccc([Si](Br)(Br)Br)c1
B305,m,0.09,CO[Si](OC)(OC)c1cccc(C(=O)O)c1
B9,m,1.1,O=C(O)c1cccc(I(Cl)Cl)c1
B96,m,0.78,N#C/N=[N+](/[O-])c1cccc(C(=O)O)c1
B384,m,-0.05,O=C(O)c1cccc(C2CCCC2)c1
A332,p,0.63,O=C(O)c1ccc(-c2ccncn2)cc1
A529,p,0.02,O=C(O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
B397,m,0.95,O=C(O)c1cccc(P(=O)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)c1
B432,m,-0.1,O=C(O)c1cccc(C2=CCCCC2)c1
A117,p,0.42,O=Cc1ccc(C(=O)O)cc1
B440,m,0.06,C[N+](C)(C)CCCc1cccc(C(=O)O)c1
A334,p,0.39,O=C(O)c1ccc(-c2cncnc2)cc1
B243,m,0.23,[NH3+]CCc1cccc(C(=O)O)c1
B264,m,0.24,O=C(O)c1cccc(/C=C/C(F)(F)F)c1
B501,m,0.03,O=C(O)c1cccc([As](c2ccccc2)c2ccccc2)c1
B126,m,0.19,O=CNc1cccc(C(=O)O)c1
A125,p,0.11,O=C(O)c1ccc(CI)cc1
A205,p,0.2,C=CSc1ccc(C(=O)O)cc1
A457,p,0.31,Cc1ccc(O)c(/N=N/c2ccc(C(=O)O)cc2)c1
A196,p,0.4,CC(=O)O[Hg]c1ccc(C(=O)O)cc1
A190,p,0.26,O=C(O)c1ccc(C=C[N+](=O)[O-])cc1
A524,p,0.08,O=C(O)c1ccc([Ge](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
B414,m,0.32,O=C(O)c1cccc(Sc2ccc([N+](=O)[O-])cc2)c1
A243,p,0.17,[NH3+]CCc1ccc(C(=O)O)cc1
A463,p,-0.16,CCCCCCCc1ccc(C(=O)O)cc1
B224,m,0.66,CCS(=O)(=O)c1cccc(C(=O)O)c1
A95,p,1.03,N#CN=Nc1ccc(C(=O)O)cc1
B429,m,0.56,O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
B122,m,0.12,O=C(O)c1cccc(CF)c1
A147,p,0.54,COS(=O)c1ccc(C(=O)O)cc1
B446,m,0.3,O=C(O)c1cccc(-c2nc3ccccc3o2)c1
B104,m,0.31,O=C(O)c1cccc(OC(F)F)c1
B185,m,0.12,O=C(O)c1cccc(CC(F)(F)F)c1
B193,m,0.06,C=Cc1cccc(C(=O)O)c1
A480,p,0.41,CC(C)(C)P(=O)(c1ccc(C(=O)O)cc1)C(C)(C)C
A127,p,0.36,NC(=O)c1ccc(C(=O)O)cc1
A388,p,-0.17,CC(C)(C)Cc1ccc(C(=O)O)cc1
A479,p,0.58,Cc1cc(C)[n+](-c2ccc(C(=O)O)cc2)c(C)c1
A280,p,0.12,C=CCSc1ccc(C(=O)O)cc1
B482,m,0.41,CCCCOP(=O)(OCCCC)c1cccc(C(=O)O)c1
A84,p,0.66,N#Cc1ccc(C(=O)O)cc1
A207,p,-0.22,O=C(O)c1ccc(N2CC2)cc1
B117,m,0.35,O=Cc1cccc(C(=O)O)c1
B454,m,0.23,O=C(O)c1cccc(C(=O)Nc2ccccc2)c1
A269,p,0.13,O=C/C=C/c1ccc(C(=O)O)cc1
B173,m,0.6,O=C(O)c1cccc(P(C(F)(F)F)C(F)(F)F)c1
A183,p,0.24,O=C(O)c1ccc(S/C=C/Cl)cc1
B285,m,0.11,CCOC(=O)Nc1cccc(C(=O)O)c1
A57,p,0.01,O=C(O)c1ccc([GeH3])cc1
A453,p,-0.19,O=C(O)c1ccc(NC(=O)c2ccccc2)cc1
A138,p,-0.57,O=C(O)c1ccc(NCS(=O)(=O)[O-])cc1
A407,p,0.1,O=C(O)c1ccc(-c2cccc(F)c2)cc1
B140,m,0.49,CN(c1cccc(C(=O)O)c1)[N+](=O)[O-]
B326,m,0.15,O=C(O)c1cccc(-c2ccc(Br)o2)c1
B215,m,0.24,CC(=S)Nc1cccc(C(=O)O)c1
B365,m,0.39,CCP(=S)(CC)c1cccc(C(=O)O)c1
A281,p,0.12,C=CC[Se]c1ccc(C(=O)O)cc1
B459,m,0,O=C(O)c1cccc(C(O)c2ccccc2)c1
A289,p,-0.13,CCCc1ccc(C(=O)O)cc1
B149,m,0.43,CS(=O)(=O)Sc1cccc(C(=O)O)c1
B509,m,0.37,O=C(O)c1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1
B158,m,0.58,O=C(O)c1cccc(N(C(=O)F)C(=O)F)c1
A150,p,0.36,CS(=O)(=O)Oc1ccc(C(=O)O)cc1
A376,p,0.1,N#Cc1ccc(-c2ccc(C(=O)O)cc2)o1
B375,m,0.77,N#CC(C#N)=C(C#N)c1cccc(C(=O)O)c1
A286,p,0.2,CC(C)(c1ccc(C(=O)O)cc1)[N+](=O)[O-]
B50,m,-0.01,O=C(O)c1cccc(B(O)O)c1
A476,p,0.08,C/C(=N\c1ccc(C(=O)O)cc1)Nc1ccccc1
A391,p,0.06,CCOP(=O)(Cc1ccc(C(=O)O)cc1)OCC
A237,p,1.17,Cn1c2ccc(C(=O)O)cc2n[n+]1C
B355,m,-0.03,COC(OC)(OC)c1cccc(C(=O)O)c1
B528,m,0.53,O=C(O)c1cccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)c1
B291,m,0.04,CCNC(=O)Nc1cccc(C(=O)O)c1
A371,p,0.25,CN(C)P(c1ccc(C(=O)O)cc1)N(C)C
B228,m,0.16,C[Si](C)(Cl)c1cccc(C(=O)O)c1
A521,p,0.23,Cc1ccc(P(=S)(c2ccc(C)cc2)c2ccc(C(=O)O)cc2)cc1
B404,m,0.15,O=C(O)c1cccc(-c2ccc(Br)cc2)c1
B38,m,-0.47,O=C(O)c1cccc([O-])c1
B385,m,0.27,CC(C)(C)C(=O)c1cccc(C(=O)O)c1
A192,p,0.14,N#CSCc1ccc(C(=O)O)cc1
A82,p,0.45,O=C(O)c1ccc([Se]C(F)(F)F)cc1
A112,p,0.5,O=C(O)c1ccc(-n2cnnn2)cc1
B169,m,0.4,O=C(O)c1cccc(N(C(F)(F)F)C(F)(F)F)c1
B316,m,0.63,O=C(O)c1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1
B421,m,0.5,O=C(O)c1cccc(S(=O)c2ccccc2)c1
A108,p,0.84,N=S(=O)(c1ccc(C(=O)O)cc1)C(F)(F)F
B381,m,0.25,Cc1nc(C)nc(-c2cccc(C(=O)O)c2)n1
A475,p,-0.12,O=C(O)c1ccc(CCc2ccccc2)cc1
B354,m,-0.16,CC(C)(O)Cc1cccc(C(=O)O)c1
B5,m,0.37,O=C(O)c1cccc(Cl)c1
A455,p,-0.03,Cc1ccc(-c2ccc(C(=O)O)cc2)cc1
A115,p,0.45,O=C(O)c1ccc(-n2nnnc2S)cc1
B120,m,0.11,O=C(O)c1cccc(CCl)c1
B60,m,0.05,O=C(O)c1cccc([SiH3])c1
B261,m,0.44,O=C(O)c1cccc(C(SC(F)(F)F)SC(F)(F)F)c1
B29,m,0.58,O=Ic1cccc(C(=O)O)c1
A129,p,0.1,O=C(O)c1ccc(/C=N/O)cc1
B263,m,0.16,O=C(O)c1cccc(/C=C\C(F)(F)F)c1
A381,p,0.39,Cc1nc(C)nc(-c2ccc(C(=O)O)cc2)n1
A11,p,0.61,O=C(O)c1ccc(P(Cl)Cl)cc1
B36,m,0,O=C(O)c1cccc(N=[N+]([O-])[O-])c1
A67,p,0.35,O=C(O)c1ccc(OC(Cl)(Cl)Cl)cc1
B127,m,0.28,NC(=O)c1cccc(C(=O)O)c1
B314,m,1.28,O=C(O)c1cccc(I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)c1
B304,m,0.04,CO[Si](C)(OC)c1cccc(C(=O)O)c1
A315,p,0.53,O=C(O)c1ccc(C2(F)C(F)(F)C(F)(F)C2(F)F)cc1
A228,p,0.21,C[Si](C)(Cl)c1ccc(C(=O)O)cc1
B82,m,0.44,O=C(O)c1cccc([Se]C(F)(F)F)c1
B75,m,0.38,O=C(O)c1cccc(OC(F)(F)F)c1
A101,p,0.32,O=C(O)c1ccc(C(Cl)Cl)cc1
B276,m,0.38,CCC(=O)c1cccc(C(=O)O)c1
B54,m,0.36,O=C(O)c1cccc(P(=O)(O)O)c1
A422,p,0.08,CC(=O)c1ccc(-c2ccc(C(=O)O)cc2)o1
A202,p,0.31,CC(=O)Oc1ccc(C(=O)O)cc1
A197,p,0.61,CC(c1ccc(C(=O)O)cc1)([N+](=O)[O-])[N+](=O)[O-]
B68,m,0.55,O=C(O)c1cccc(C(=O)F)c1
B342,m,0.21,CC(=O)/C=C/c1cccc(C(=O)O)c1
A81,p,0.5,O=C(O)c1ccc(SC(F)(F)F)cc1
B382,m,-0.06,O=C(O)c1cccc(C2=CCCC2)c1
B477,m,0.04,C[Si](C)(c1ccccc1)c1cccc(C(=O)O)c1
B194,m,0.17,O=C(CCl)Nc1cccc(C(=O)O)c1
B386,m,0.06,CCCCOC(=O)Nc1cccc(C(=O)O)c1
A370,p,0.4,CN(C)P(=O)(c1ccc(C(=O)O)cc1)N(C)C
A116,p,0.19,O=C(O)c1ccc(Nc2nnns2)cc1
A331,p,0.57,CC(C#N)(C#N)c1ccc(C(=O)O)cc1
A268,p,0.39,CN(C(=O)C(F)(F)F)c1ccc(C(=O)O)cc1
A420,p,-0.03,O=C(O)c1ccc(Oc2ccccc2)cc1
A5,p,0.23,O=C(O)c1ccc(Cl)cc1
A363,p,0.6,CCOP(=O)(OCC)c1ccc(C(=O)O)cc1
A191,p,-0.16,O=C([O-])Cc1ccc(C(=O)O)cc1
B392,m,0.16,C[N+](C)(C)CCc1cccc(C(=O)O)c1
A222,p,-0.07,CC(O)c1ccc(C(=O)O)cc1
A428,p,0.01,O=C(O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
A444,p,1.37,O=C(O)c1ccc(P(=NS(=O)(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)cc1
B518,m,0.1,C[Si](c1ccccc1)(c1ccccc1)c1cccc(C(=O)O)c1
B81,m,0.4,O=C(O)c1cccc(SC(F)(F)F)c1
B470,m,0.39,O=C(O)c1cccc(/C=N/NC(=O)c2ccccc2)c1
B252,m,0.29,O=C(O)c1cccc(N=C(C(F)(F)F)C(F)(F)F)c1
B187,m,0.29,O=C(O)c1cccc(CS(=O)(=O)C(F)(F)F)c1
A528,p,0.27,O=C(O)c1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
A171,p,1.4,O=C(O)c1ccc(S(=O)(=NS(=O)(=O)C(F)(F)F)C(F)(F)F)cc1
A468,p,-0.07,O=C(O)c1ccc(/C=C/c2ccccc2)cc1
B297,m,0.23,CC(C)Sc1cccc(C(=O)O)c1
B113,m,0.64,O=C(O)c1cccc(-c2nnn[nH]2)c1
A336,p,0.05,O=C(O)c1ccc(-c2cccs2)cc1
A15,p,0.06,O=C(O)c1ccc(F)cc1
B463,m,-0.07,CCCCCCCc1cccc(C(=O)O)c1
B78,m,0.83,O=C(O)c1cccc(S(=O)(=O)C(F)(F)F)c1
A530,p,0.33,O=C(O)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1
B488,m,0.15,O=C(O)c1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1
A316,p,0.79,O=C(O)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
A506,p,0.19,O=C(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1
B502,m,0.54,O=C(O)c1cccc([As](=O)(c2ccccc2)c2ccccc2)c1
A259,p,0.48,O=C(O)c1ccc([Te]C(F)(F)C(F)(F)C(F)(F)F)cc1
B163,m,0.5,O=C(O)c1cccc(N(C(=O)F)C(F)(F)F)c1
A403,p,0.08,O=C(O)c1ccc(-c2cccc(Br)c2)cc1
B58,m,0.86,[NH3+]c1cccc(C(=O)O)c1
A525,p,0.7,Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(C(=O)O)cc1
B453,m,0.02,O=C(O)c1cccc(NC(=O)c2ccccc2)c1
A152,p,0.13,CSSc1ccc(C(=O)O)cc1
B362,m,0.16,CCOP(=O)(/N=N\c1cccc(C(=O)O)c1)OCC
B230,m,-0.24,CCNc1cccc(C(=O)O)c1
B165,m,0.47,O=C(O)c1cccc(C(F)(F)C(F)(F)F)c1
A91,p,1.26,N#CS(=O)(=O)c1ccc(C(=O)O)cc1
B121,m,0.25,O=C(O)c1cccc(OCCl)c1
A341,p,0.31,O=C(O)c1ccc(N2C(=O)CCC2=O)cc1
A41,p,-1.21,O=C(O)c1ccc([S-])cc1
B213,m,0.37,CO/N=C/c1cccc(C(=O)O)c1
A42,p,-0.02,O=C(O)c1ccc([As](=O)([O-])O)cc1
B406,m,0.15,O=C(O)c1cccc(-c2ccc(Cl)cc2)c1
B123,m,0.2,O=C(O)c1cccc(OCF)c1
B284,m,0.05,CC(=O)NCc1cccc(C(=O)O)c1
A368,p,-0.05,C[Si](C)(C)OCc1ccc(C(=O)O)cc1
B112,m,0.52,O=C(O)c1cccc(-n2cnnn2)c1
B218,m,-0.12,O=C(O)c1cccc(OCC[O-])c1
A20,p,0.89,O=C(O)c1ccc(P(=O)(F)F)cc1
A414,p,0.24,O=C(O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
A397,p,1.1,O=C(O)c1ccc(P(=O)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)cc1
A508,p,0.24,CCCN(CCC)P(c1ccc(C(=O)O)cc1)c1cccc(F)c1
A437,p,0.06,CC(C)P(c1ccc(C(=O)O)cc1)C(C)C
B475,m,-0.07,O=C(O)c1cccc(CCc2ccccc2)c1
B28,m,0.35,O=C(O)c1cccc(I)c1
B318,m,0.47,O=C(O)c1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
B452,m,0.35,O=C(O)c1cccc(/C=N/c2ccccc2)c1
B267,m,0.21,CC#Cc1cccc(C(=O)O)c1
B272,m,0.02,C/C=C/c1cccc(C(=O)O)c1
B383,m,0.19,CCOC(=O)/C=C/c1cccc(C(=O)O)c1
A70,p,0.54,O=C(O)c1ccc(C(F)(F)F)cc1
A348,p,-0.1,CC(C)C(=O)Nc1ccc(C(=O)O)cc1
B148,m,0.6,CS(=O)(=O)c1cccc(C(=O)O)c1
B27,m,0.61,O=C(O)c1cccc(S(F)(F)(F)(F)F)c1
B105,m,0.54,O=C(O)c1cccc(S(=O)C(F)F)c1
A353,p,-0.32,CCCCOc1ccc(C(=O)O)cc1
A433,p,-0.15,O=C(O)c1ccc(C2CCCCC2)cc1
A343,p,0.88,CC(=O)OI(OC(C)=O)c1ccc(C(=O)O)cc1
A63,p,0.61,O=C(O)c1ccc(-n2nnnc2Cl)cc1
A195,p,0.44,CN(c1ccc(C(=O)O)cc1)S(=O)(=O)C(F)(F)F
A462,p,-0.2,CCC(CC)(CC)c1ccc(C(=O)O)cc1
B210,m,-0.02,COC(=O)Nc1cccc(C(=O)O)c1
A284,p,-0.05,CC(=O)NCc1ccc(C(=O)O)cc1
B346,m,0.38,CC(C)C(=O)c1cccc(C(=O)O)c1
A206,p,0.21,C=C[Se]c1ccc(C(=O)O)cc1
B23,m,0.7,O=C(O)c1cccc(S(F)(F)F)c1
A137,p,0.1,C[Hg]c1ccc(C(=O)O)cc1
A472,p,-0.06,COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1
B302,m,0.04,CO[Si](C)(C)c1cccc(C(=O)O)c1
A283,p,0.26,CC(=O)N(C)c1ccc(C(=O)O)cc1
B90,m,0.67,N#COc1cccc(C(=O)O)c1
B289,m,-0.06,CCCc1cccc(C(=O)O)c1
B359,m,-0.34,CCCCNc1cccc(C(=O)O)c1
A55,p,0.05,O=C(O)c1ccc(P)cc1
B462,m,-0.07,CCC(CC)(CC)c1cccc(C(=O)O)c1
B184,m,0.28,O=C(O)c1cccc([Se]/C=C/Cl)c1
A329,p,0.48,O=C(O)c1ccc(-c2cccnn2)cc1
B425,m,0.36,O=C(O)c1cccc(OS(=O)(=O)c2ccccc2)c1
A266,p,0.17,N#C/C=C/c1ccc(C(=O)O)cc1
A77,p,0.83,O=C(O)c1ccc([Se](=O)C(F)(F)F)cc1
B258,m,0.48,O=C(O)c1cccc(SC(F)(C(F)(F)F)C(F)(F)F)c1
B388,m,-0.05,CC(C)(C)Cc1cccc(C(=O)O)c1
A179,p,0.25,O=C(O)c1ccc(OC(F)(F)C(F)F)cc1
A9,p,1.11,O=C(O)c1ccc(I(Cl)Cl)cc1
B419,m,0.32,O=C(O)c1cccc(/N=N/c2ccccc2)c1
B186,m,0.25,O=C(O)c1cccc(CS(=O)C(F)(F)F)c1
B67,m,0.43,O=C(O)c1cccc(OC(Cl)(Cl)Cl)c1
A236,p,-0.03,CN(C)N=Nc1ccc(C(=O)O)cc1
B239,m,0.42,COP(=O)(OC)c1cccc(C(=O)O)c1
A52,p,-0.34,O=C(O)c1ccc(NO)cc1
A470,p,0.51,O=C(O)c1ccc(/C=N/NC(=O)c2ccccc2)cc1
B110,m,0.26,O=C(O)c1cccc(C(I)I)c1
A519,p,0.56,O=C(O)c1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1
B483,m,0.01,CC(C)(C)P(c1cccc(C(=O)O)c1)C(C)(C)C
A104,p,0.18,O=C(O)c1ccc(OC(F)F)cc1
A488,p,0.05,O=C(O)c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1
B481,m,0.35,CCCCP(=O)(CCCC)c1cccc(C(=O)O)c1
A299,p,0,C[Ge](C)(C)c1ccc(C(=O)O)cc1
A267,p,0.03,CC#Cc1ccc(C(=O)O)cc1
A163,p,0.5,O=C(O)c1ccc(N(C(=O)F)C(F)(F)F)cc1
B84,m,0.56,N#Cc1cccc(C(=O)O)c1
B490,m,0.18,O=C(O)c1cccc(/C=C/C(=O)c2ccccc2)c1
A14,p,0.56,O=C(O)c1ccc([Si](Cl)(Cl)Cl)cc1
A342,p,-0.01,CC(=O)/C=C/c1ccc(C(=O)O)cc1
B45,m,0.12,O=C(O)c1cccc(O)c1
B138,m,-0.1,O=C(O)c1cccc(NCS(=O)(=O)[O-])c1
B180,m,0.38,O=C(O)c1cccc(SC(F)(F)C(F)F)c1
B516,m,0.09,Cc1ccc(P(=S)(c2ccccc2)c2cccc(C(=O)O)c2)cc1
B286,m,0.18,CC(C)(c1cccc(C(=O)O)c1)[N+](=O)[O-]
A177,p,0.12,O=C(O)c1ccc(NC(=O)C(F)(F)F)cc1
A384,p,-0.14,O=C(O)c1ccc(C2CCCC2)cc1
B523,m,1.13,Cc1ccc([P+](C)(c2ccc(C)cc2)c2cccc(C(=O)O)c2)cc1
B99,m,-0.1,O=C([O-])c1cccc(C(=O)O)c1
A149,p,0.54,CS(=O)(=O)Sc1ccc(C(=O)O)cc1
B31,m,0.62,O=Nc1cccc(C(=O)O)c1
A387,p,-0.18,CCC(C)(C)c1ccc(C(=O)O)cc1
B125,m,0.1,O=C(O)c1cccc(CI)c1
B426,m,0.23,O=C(O)c1cccc(Sc2ccccc2)c1
B32,m,0.71,O=C(O)c1cccc([N+](=O)[O-])c1
B338,m,0.06,O=C(O)c1cccc(-c2ccc[se]2)c1
A456,p,-0.09,O=C(O)c1ccc(Cc2ccccc2)cc1
B275,m,0.09,C=CCOc1cccc(C(=O)O)c1
A83,p,0.34,N#C[Hg]c1ccc(C(=O)O)cc1
A230,p,-0.61,CCNc1ccc(C(=O)O)cc1
A273,p,-0.14,C=CCc1ccc(C(=O)O)cc1
B341,m,0.34,O=C(O)c1cccc(N2C(=O)CCC2=O)c1
A92,p,0.38,O=C(O)c1ccc(N=C=S)cc1
B1,m,0.32,O=C(O)c1cccc(B(F)F)c1
A325,p,0.84,N#CC(C#N)=Cc1ccc(C(=O)O)cc1
A423,p,0.43,CC1=CC=CC(c2ccc(C(=O)O)cc2)O1
A85,p,0.49,[C-]#[N+]c1ccc(C(=O)O)cc1
A75,p,0.35,O=C(O)c1ccc(OC(F)(F)F)cc1
A473,p,0.7,Cc1ccc(S(=O)(=O)/N=C/Sc2ccc(C(=O)O)cc2)cc1
A270,p,-0.21,O=C(O)c1ccc(C2CC2)cc1
B497,m,-0.12,O=C(O)c1cccc(C23CC4CC(CC(C4)C2)C3)c1
B227,m,0.13,N[C+](N)SCc1cccc(C(=O)O)c1
B348,m,0.11,CC(C)C(=O)Nc1cccc(C(=O)O)c1
A8,p,0.48,O=C(O)c1ccc(SCl)cc1
A511,p,0.21,O=C(O)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
B529,m,-0.01,O=C(O)c1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
A19,p,0.83,O=C(O)c1ccc(I(F)F)cc1
B161,m,0.48,O=C(O)c1cccc(SC(=O)C(F)(F)F)c1
B363,m,0.55,CCOP(=O)(OCC)c1cccc(C(=O)O)c1
A326,p,0,O=C(O)c1ccc(-c2ccc(Br)o2)cc1
B390,m,0.1,CCCCCOc1cccc(C(=O)O)c1
A518,p,0.13,C[Si](c1ccccc1)(c1ccccc1)c1ccc(C(=O)O)cc1
B345,m,-0.05,O=C(O)c1cccc(C2CCC2)c1
B451,m,-0.08,O=C(O)c1cccc(/N=C/c2ccccc2)c1
A39,p,-0.05,O=C(O)c1ccc(S(=O)[O-])cc1
A62,p,0.46,O=C(O)c1ccc(C(F)(F)Cl)cc1
B298,m,0,CN(C)Cc1cccc(C(=O)O)c1
B85,m,0.48,[C-]#[N+]c1cccc(C(=O)O)c1
A165,p,0.52,O=C(O)c1ccc(C(F)(F)C(F)(F)F)cc1
B65,m,0.21,O=C(O)c1cccc(N=C(Cl)Cl)c1
B491,m,0.08,CC(C)c1ccc(-c2cccc(C(=O)O)c2)cc1
A146,p,0.45,CS(=O)Oc1ccc(C(=O)O)cc1
B512,m,-0.03,O=C(O)c1cccc(C(c2ccccc2)c2ccccc2)c1
B225,m,0.18,CCSc1cccc(C(=O)O)c1
A135,p,0.39,C[Si](Cl)(Cl)c1ccc(C(=O)O)cc1
A394,p,-0.01,C[Si](C)(C)O[Si](C)(C)c1ccc(C(=O)O)cc1
B328,m,0.47,O=C(O)c1cccc(N2C(=O)CC(Cl)C2=O)c1
A16,p,0.33,O=C(O)c1ccc([Hg]F)cc1
A28,p,0.18,O=C(O)c1ccc(I)cc1
A131,p,0.63,NC(=O)N=[N+]([O-])c1ccc(C(=O)O)cc1
B510,m,0.38,O=C(O)c1cccc(-c2cc(=O)c3c(ccc4ccccc43)o2)c1
A7,p,1.11,O=C(O)c1ccc(S(=O)(=O)Cl)cc1
A504,p,-0.22,O=C(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
B271,m,0.09,C=C(C)c1cccc(C(=O)O)c1
B290,c,1.11,Cn1c[n+](C)c2cc(C(=O)O)ccc21
B14,m,0.48,O=C(O)c1cccc([Si](Cl)(Cl)Cl)c1
A406,p,0.12,O=C(O)c1ccc(-c2ccc(Cl)cc2)cc1
B223,m,0.08,COCc1cccc(C(=O)O)c1
A277,p,0.45,CCOC(=O)c1ccc(C(=O)O)cc1
A173,p,0.69,O=C(O)c1ccc(P(C(F)(F)F)C(F)(F)F)cc1
B269,m,0.24,O=C/C=C/c1cccc(C(=O)O)c1
A390,p,-0.34,CCCCCOc1ccc(C(=O)O)cc1
A96,p,0.89,N#C/N=[N+](\[O-])c1ccc(C(=O)O)cc1
B504,m,0,O=C(O)c1cccc(N(c2ccccc2)c2ccccc2)c1
A304,p,0.1,CO[Si](C)(OC)c1ccc(C(=O)O)cc1
B293,m,0.1,CC(C)Oc1cccc(C(=O)O)c1
B505,m,0.38,O=C(O)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1
A157,p,0.53,[NH3+]Cc1ccc(C(=O)O)cc1
B277,m,0.37,CCOC(=O)c1cccc(C(=O)O)c1
A174,p,0.9,N#CP(C#N)c1ccc(C(=O)O)cc1
B336,m,0.09,O=C(O)c1cccc(-c2cccs2)c1
A361,p,0.47,CCP(=O)(CC)c1ccc(C(=O)O)cc1
B182,m,0.26,C#CSc1cccc(C(=O)O)c1
B66,m,0.4,O=C(O)c1cccc(C(Cl)(Cl)Cl)c1
A399,p,0.18,O=C(O)c1ccc(NP(=O)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)cc1
A140,p,0.61,CN(c1ccc(C(=O)O)cc1)[N+](=O)[O-]
B44,m,0.91,O=C(O)c1cccc(N[N+](=O)[O-])c1
A232,p,0.24,CN(c1ccc(C(=O)O)cc1)S(C)(=O)=O
A418,p,0.79,O=C(O)c1ccc(/[N+]([O-])=N\S(=O)(=O)c2ccccc2)cc1
A424,p,0.68,O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1
B157,m,0.59,[NH3+]Cc1cccc(C(=O)O)c1
B405,m,0.15,O=C(O)c1cccc(-c2cccc(Cl)c2)c1
B254,m,0.37,O=C(O)c1cccc(C(F)(C(F)(F)F)C(F)(F)F)c1
A187,p,0.31,O=C(O)c1ccc(CS(=O)(=O)C(F)(F)F)cc1
A226,p,0.56,CN(C)P(Cl)c1ccc(C(=O)O)cc1
A365,p,0.46,CCP(=S)(CC)c1ccc(C(=O)O)cc1
A113,p,0.56,O=C(O)c1ccc(-c2nnn[nH]2)cc1
B398,m,0.66,O=C(O)c1cccc(OP(=O)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)c1
A144,p,0.49,CS(=O)c1ccc(C(=O)O)cc1
A59,p,-0.55,NNc1ccc(C(=O)O)cc1
B196,m,0.39,CC(=O)O[Hg]c1cccc(C(=O)O)c1
B56,m,-0.48,O=C(O)c1cccc([B-](O)(O)O)c1
B166,m,0.48,O=C(O)c1cccc(OC(F)(F)C(F)(F)F)c1
B450,m,0.37,O=C(O)c1cccc(C(=O)Oc2ccccc2)c1
B22,m,0.85,O=C(O)c1cccc([Ge](F)(F)F)c1
A182,p,0.19,C#CSc1ccc(C(=O)O)cc1
B151,m,0.15,CSc1cccc(C(=O)O)c1
B109,m,0.44,O=C(O)c1cccc(NS(=O)(=O)C(F)(F)F)c1
A162,p,0.46,O=C(O)c1ccc(OC(=O)C(F)(F)F)cc1
A13,p,0.79,O=C(O)c1ccc([Ge](Cl)(Cl)Cl)cc1
B366,m,0.4,C[N+](C)(C)Cc1cccc(C(=O)O)c1
A220,p,0.16,NNC(=O)N/N=C/c1ccc(C(=O)O)cc1
A522,p,1.11,Cc1ccc([P+](C)(c2ccccc2)c2ccc(C(=O)O)cc2)cc1
B278,m,0.04,CC(=O)OCc1cccc(C(=O)O)c1
A105,p,0.58,O=C(O)c1ccc(S(=O)C(F)F)cc1
B411,m,0.14,O=C(O)c1cccc(-c2ccc(I)cc2)c1
B175,m,0.21,C#Cc1cccc(C(=O)O)c1
B203,m,0.37,COC(=O)c1cccc(C(=O)O)c1
B24,m,0.54,O=C(O)c1cccc([Si](F)(F)F)c1
B2,m,0.39,O=C(O)c1cccc(Br)c1
A351,p,-0.12,CC(C)Cc1ccc(C(=O)O)cc1
A208,p,-0.1,O=C(O)c1ccc(C2CN2)cc1
B479,m,0.62,Cc1cc(C)[n+](-c2cccc(C(=O)O)c2)c(C)c1
B369,m,-0.16,C[Si](C)(C)Cc1cccc(C(=O)O)c1
A306,p,0.73,C[P+](C)(C)c1ccc(C(=O)O)cc1
B209,m,0.09,CN1OC1c1cccc(C(=O)O)c1
B201,m,0.39,CC(=O)Sc1cccc(C(=O)O)c1
B152,m,0.22,CSSc1cccc(C(=O)O)c1
A517,p,1.18,C[P+](c1ccccc1)(c1ccccc1)c1ccc(C(=O)O)cc1
A362,p,0.74,CCOP(=O)(/N=N\c1ccc(C(=O)O)cc1)OCC
B448,m,0.34,O=C(O)c1cccc(C(=O)c2ccccc2)c1