| ,smiles,pIC50 | |
| 0,CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1,8.669586226650809 | |
| 1,[N-]=[N+]=NCc1cc(=O)n(-c2ccccc2)s1,7.236572006437063 | |
| 2,CN(C)C1CCC(Nc2ncnc3cc[nH]c23)CC1,8.751012112334932 | |
| 3,Cc1[nH]ncc1-c1cc2nc(C3CCCCC3)[nH]c(=O)c2s1,8.657577319177793 | |
| 4,CCc1c(OC)nc2nc(-c3noc(C)n3)c(Br)n2c1C,8.0 | |
| 5,Cn1cc(C(=O)c2ccccc2)cc1/C=C/C(=N)N,7.638272163982407 | |
| 6,O=C(N=Nc1c(O)[nH]c2cc(Br)ccc12)c1ccccc1O,8.657577319177793 | |
| 7,CCSCc1cc(=O)c(O)co1,8.585026652029182 | |
| 8,Nc1ccc2nc(SCc3ccccn3)[nH]c2c1,7.301029995663981 | |
| 9,O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc[nH]1,8.522878745280337 | |
| 10,O=C1Nc2ccccc2/C1=C\c1ccc(O)cc1,8.570000775141681 | |
| 11,N[C@@H](Cn1ccc(=O)n(CCc2nn[nH]n2)c1=O)C(=O)O,8.16304326294045 | |
| 12,COc1cc(F)cc2c1nnc1c2c(-c2cccnc2C)nn1C,6.95116991347165 | |
| 13,N#Cc1ccccc1C[C@H](N)C(=O)N1CCC[C@H]1C#N,7.389659288547843 | |
| 14,C=CC(=O)/C=C/c1ccccc1Cl,8.301029995663981 | |
| 15,Cc1nn(C(=O)/C=C/c2ccccc2)c(C)c1Cl,7.651695136951839 | |
| 16,CC(C(C)N1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,7.856985199745905 | |
| 17,O=C(/C=C/c1ccccc1)c1cc(Cl)ccc1O,7.939302159646388 | |
| 18,CC(/C=C/c1ccoc1)N(O)C(N)=O,8.920818753952375 | |
| 19,CC1(C)CC12CCOC2=O,8.943095148663527 | |
| 20,CCN1Cc2ccc(Br)cc2CCc2ccccc21,8.657577319177793 | |
| 21,CCCCCC(=O)Nc1nc[nH]c1C(N)=O,7.8996294548824375 | |
| 22,Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccnc(Cl)c2)o1,8.657577319177793 | |
| 23,Cc1ccc(CSc2nc3nc(C)cc(NN)n3n2)cc1,8.210419287835574 | |
| 24,c1ccc(Oc2ncnc3[nH]ccc23)cc1,8.494850021680094 | |
| 25,Cc1ccc(C)c(C(=O)/C=C/c2ccccc2)c1,7.795880017344075 | |
| 26,O=c1cc(N2CCOCC2)oc2c(-c3ccc(C(F)(F)F)cc3)csc12,8.3767507096021 | |
| 27,Oc1cccc(-c2nnc(-c3cccc(O)c3)nn2)c1,8.292259545726228 | |
| 28,O=C(O)c1ccc(Cl)cc1,6.7299993321845495 | |
| 29,CCc1cc(C(=O)OC)c(NC(=O)CC2SC(N)=NC2=O)s1,8.585026652029182 | |
| 30,CC1(C)COC(O)(C(F)(F)F)CC1=O,6.735182176990463 | |
| 31,O=c1[nH]cc(Cc2cc(F)cc(F)c2)c(=O)[nH]1,8.119186407719209 | |
| 32,COc1ccc2nc(S(=O)Cc3ccccc3N)[nH]c2c1,7.958607314841775 | |
| 33,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,6.713768145971447 | |
| 34,Cc1cc2[nH]c(=O)sc(=NCc3ccccc3)n2n1,7.7450002209360775 | |
| 35,N#C/C(=C\c1ccc(O)c(O)c1)C(=S)NCc1ccccc1,7.7447274948966935 | |
| 36,Cn1c(C(=O)Nc2cccnc2)cc2sccc21,7.211124884224583 | |
| 37,Cc1cccc2c(N)c3c(nc12)N(C)CC3,8.939302159646388 | |
| 38,CC(C)NC(=O)P(=O)(O)O,8.698970004336019 | |
| 39,O=S1(=O)C=C(Sc2nnc(C3CCCCC3)o2)c2ccccc21,8.119186407719209 | |
| 40,O=C1c2cc(Cl)ccc2SC2c3[nH]c4ccc(O)cc4c3CCN12,8.346787486224656 | |
| 41,CC(C)c1[nH]nc2c(NCc3ccco3)ncnc12,8.602059991327963 | |
| 42,CN1C(=O)[C@@H](N)N=C(c2ccccc2)c2ccccc21,7.0 | |
| 43,COC(=O)c1ccc(-c2ccccc2Cl)o1,6.779891911959945 | |
| 44,CC(C)n1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21,8.8153085691824 | |
| 45,O=C1C2=C(NC(=S)NC2c2cccc(F)c2)c2ccccc21,8.958607314841775 | |
| 46,Nc1ncnc2c1c(Br)nn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O,8.0 | |
| 47,O=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1,8.981341102414483 | |
| 48,O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccccc1,7.749336080536756 | |
| 49,Clc1ccccc1COc1cccc2onc(Nc3cccnc3)c12,7.102372908709558 | |
| 50,O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(Br)cc1,7.702677285794698 | |
| 51,N[C@@H](CS)CNc1ccc(Oc2ccccc2)cc1,8.301029995663981 | |
| 52,O=C(O)[C@@H]1CCNC[C@@H]1O,7.920818753952375 | |
| 53,NC1=NCC2c3ccccc3Cc3ccccc3N12,7.012928243546288 | |
| 54,COc1cc(F)cc2c1nnc1c(C)nc(-c3cccnc3C)n12,8.54821356447571 | |
| 55,O=C1C=CC(=O)N1c1ccccc1,7.798602875679548 | |
| 56,O=c1[nH]nc(-c2ccccc2)o1,8.173925197299173 | |
| 57,CC(=O)N1N=C(c2ccc(Br)cc2)CC1c1ccccc1,7.146910470148135 | |
| 58,CN(C)C(=O)C1CCCNN1,8.0 | |
| 59,Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O,7.607303046740334 | |
| 60,O=C1NC(=S)N/C1=C/c1csc2ccc(-c3ccc4c(c3)COC4=O)cc12,8.643974142806877 | |
| 61,O=C(O)CSC(=O)Cc1ccccc1,7.346787486224656 | |
| 62,N#CC1=C(N)SC(N)=C(C#N)C1c1c(F)cccc1F,7.81559251458768 | |
| 63,O=C(O)c1ccnc(C(=O)O)c1,8.157368505447419 | |
| 64,COc1ccc(-c2cccc(C(=O)CC(=O)C(=O)O)c2)cc1,8.866461091629782 | |
| 65,O=C1N/C(=N\c2nccs2)S/C1=C\c1cccc(O)c1,7.795880017344075 | |
| 66,CN1CCC(N2CCCC2=O)C1,7.107905397309519 | |
| 67,Oc1ccc(Br)c2nc3ccccc3nc12,7.570247719997592 | |
| 68,Nc1cccc(-c2nc(N3CCOCC3)c3ncccc3n2)c1,8.602059991327963 | |
| 69,Cc1cc(/C=C/c2cc(C)c(O)c(C)c2)on1,8.920818753952375 | |
| 70,O=C(O)[C@@H]1C[C@H]2C[C@@H](Cn3[nH]nnc3=S)CC[C@H]2CN1,7.777283528852417 | |
| 71,COc1ccc2nc(SCC3CC3)[nH]c2c1,7.301029995663981 | |
| 72,Cc1cc(=O)oc2cc(OC3CCCCC3=O)ccc12,7.3663295939485565 | |
| 73,Cc1ccc(-c2nn(C)c3ncnc(N)c23)cc1O,7.0 | |
| 74,O=C(Nc1cccc(-c2cnc3cc(Cl)ccn23)c1)NC1CC1,8.293282217663242 | |
| 75,COc1ccc(-c2n[nH]c3c2C(=O)c2ccncc2-3)cc1,7.462180904926726 | |
| 76,O=C1Cc2cc(Cc3ccc(Cl)cc3)ccc2C(=O)N1O,8.148741651280925 | |
| 77,O=S(=O)(c1cccc2cnccc12)N1CCNCC1,7.920818753952375 | |
| 78,O=C(NCCc1ccc(O)c(O)c1)n1nnc2ccccc21,7.980011840408714 | |
| 79,Nc1ncc2ccc3ccncc3c2n1,8.661543506395395 | |
| 80,COc1ccc2c(c1)nc(C(=O)O)c1c3cccc(Cl)c3[nH]c21,9.0 | |
| 81,Clc1ccc(Nc2nnc(Cc3cccnc3)c3ccccc23)cc1,8.008773924307505 | |
| 82,O=c1[nH]c2ccc3c(c2[nH]c1=O)NCCC3,7.958607314841775 | |
| 83,c1ccc2sc(-c3ccc(Nc4ncnc5[nH]ccc45)cc3)nc2c1,8.158015195409886 | |
| 84,O=C(NO)C1=CCCC1,7.737074530668169 | |
| 85,O=P(O)(O)C(O)c1ccc2ccccc2c1,6.647817481888637 | |
| 86,CC1CCC(N)CC1,8.853871964321762 | |
| 87,CN(C)C(=O)Cn1c(-c2ccccn2)nc2cccnc21,8.585026652029182 | |
| 88,CN(C)C(=O)CCn1c(-c2ccc(Cl)cc2)nc2cccnc21,8.031517051446064 | |
| 89,N#Cc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1,8.522878745280337 | |
| 90,Nc1nc2ccc(F)cc2n2cnnc12,9.0 | |
| 91,O=C(NCCc1cnc[nH]1)c1ccnc2nc(-c3cccs3)[nH]c12,8.920818753952375 | |
| 92,Cc1ccc2c([nH]c(=O)n2O)c1C,7.698970004336019 | |
| 93,CCNCc1cccc2[nH]c3cc(Cl)ccc3c12,8.67778070526608 | |
| 94,NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1,8.522878745280337 | |
| 95,COc1cc(C(=O)c2ccc3[nH]ccc3c2)cc(OC)c1OC,8.657577319177793 | |
| 96,NC(N)=N/N=C/C1=C(C(F)(F)F)c2ccccc2CC1,7.920818753952375 | |
| 97,O=c1c2cn[nH]c2c2ncc(-c3cccnc3Cl)cc2n1CC(F)(F)F,7.958607314841775 | |
| 98,O=C(O)c1cc(-c2ccco2)[nH]n1,5.075720713938118 | |
| 99,CN(c1ccccc1)c1ncnc2nc[nH]c12,8.397940008672037 | |
| 100,COc1ccc(NC(C)=O)cc1NC(=O)c1cnn2cccnc12,8.11367851344052 | |
| 101,O=C(O)Cc1csc(=NC(=O)COc2ccccc2)n1O,8.356547323513812 | |
| 102,COc1cccc2c1C(O)CCC2O,6.774690718274137 | |
| 103,COc1ccc(S(=O)(=O)CC(NC(C)=O)C(=O)NO)cc1,6.522878745280337 | |
| 104,Cc1oc2c(c1C(=O)OCC(F)(F)F)C(=O)c1ncccc1C2=O,7.585026652029182 | |
| 105,CN(CCC(=O)c1ccco1)Cc1ccccc1,8.744727494896694 | |
| 106,O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,4.892790030352131 | |
| 107,CN1CCCCC1/C=C1\CCCC1=O,7.94692155651658 | |
| 108,Cc1ccccc1-c1ccc2nc(N)ncc2c1,8.007932739972333 | |
| 109,COC(=O)CC[C@H](C[C@H](N)C(=O)O)C(=O)O,6.511288567880362 | |
| 110,Cc1ccc(C2=C/C(=C\C#N)N3C(=N2)Sc2ccccc23)cc1,7.692503962086787 | |
| 111,N#Cc1ccc(-c2cncc(-c3cc4ccc(O)cc4[nH]3)n2)cc1,8.244125144327509 | |
| 112,Cc1[nH]nc2[nH]c(=O)c(C#N)c(C3CCCCC3)c12,8.267606240177031 | |
| 113,Cc1cc(C2CC=CCN(C)C2)ccc1Cl,7.585026652029182 | |
| 114,CN(C)c1nc(N(C)C)nc(N(C)C)n1,8.397940008672037 | |
| 115,CN(C)c1ncnc2c1[nH]c(=O)n2Cc1cccc(N)c1,8.742357417877654 | |
| 116,C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccc(F)cc2F)CO1,7.801342913045577 | |
| 117,O=C(CNC(=O)c1cc2c(cn1)[nH]c1ccccc12)NO,8.209714835966759 | |
| 118,N=C(N=C(N)N)SC/C=C/c1ccccc1,7.703334809738469 | |
| 119,Cc1ccc(OC(=O)c2coc3ccccc3c2=O)cc1,7.099878768008721 | |
| 120,CN(C)c1ccc(-n2sc3ccccc3c2=O)cc1,7.958607314841775 | |
| 121,Fc1cccc2c1C1=NCCN1C(=S)S2,7.886056647693163 | |
| 122,NCCCC(=O)O,8.632023214705406 | |
| 123,CCCC[C@H](N)C(=O)N1CCCC1,7.221848749616356 | |
| 124,Cc1cc(Nc2cccc(F)c2)nc(NCc2ccccc2)n1,8.171018045992078 | |
| 125,Cc1cccc2[nH]c(-c3ccc(O)cc3)nc12,8.275724130399212 | |
| 126,CN1CCC[C@H]1/C=C1\CCc2ccccc2C1=O,7.903089986991944 | |
| 127,Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCBr,7.6020599913279625 | |
| 128,Clc1cc(Cl)c(N/N=C/c2ccncc2)c(Cl)c1,8.602059991327963 | |
| 129,Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccco1,8.356547323513812 | |
| 130,CC(C)=CCNc1nc(N)nc2c1ncn2C(C)C,7.301029995663981 | |
| 131,O=C(Nc1ccccc1F)c1cnn2ccccc12,7.698970004336019 | |
| 132,COc1cc(OC)c(-c2oc3ccccc3c(=O)c2O)c(OC)c1,7.508638306165727 | |
| 133,O=C(/C=C/c1cnn(Cc2ccccc2)c(=O)c1)c1ccccc1,8.3767507096021 | |
| 134,N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2ccccc12,8.721246399047171 | |
| 135,CC(=O)N1N=C(c2ccccc2)OC1c1ccc(C)cc1,7.713094647027625 | |
| 136,COCC(=O)Nc1nnc(-c2ccc(C(=O)O)cc2)s1,8.366531544420413 | |
| 137,CC(=NC1CC2CCC1C2)Nc1ccccc1C,7.096910013008056 | |
| 138,O=c1[nH]c2cc(Cl)ccc2c2oc3ccccc3c12,8.078833949362261 | |
| 139,CS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1,8.59999938302362 | |
| 140,COc1ccc(C(=O)Nc2nccs2)cc1OC1CCCC1,8.187086643357144 | |
| 141,COc1cc(Sc2c[nH]c3ccc(F)cc23)cc(OC)c1OC,8.481486060122112 | |
| 142,Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccccc1,7.698970004336019 | |
| 143,CNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1,7.853871964321762 | |
| 144,C=C1C[C@H](C(=O)O)[C@H]([C@H](N)C(=O)O)C1,8.1249387366083 | |
| 145,CCCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21,8.276544327964814 | |
| 146,O=C1c2ccccc2C(=O)N1c1nc(-c2ccccc2)cs1,7.433680378475189 | |
| 147,N#Cc1ccc2cc3c(=O)[nH]c(=O)nc-3n(-c3ccc(Br)cc3)c2c1,7.90274269030658 | |
| 148,CC(S)C(=O)N(C1CCCC1)C(C)C(=O)O,8.167491087293763 | |
| 149,COc1c2ccoc2cc2oc(=O)ccc12,7.815308569182402 | |
| 150,Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2[C@H]1CCOC1,8.036212172654444 | |
| 151,CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2C#N)cc1)C(F)(F)F,8.958607314841775 | |
| 152,Cc1nc(-c2ccc(C)s2)c(-c2ccc(S(N)(=O)=O)cc2)o1,8.744727494896694 | |
| 153,COc1cc(F)cc2c1nnc1c(C)nc(-c3sc(C)nc3C)n12,8.411168274405792 | |
| 154,CC1(C)CCNC1=O,4.489454989793388 | |
| 155,O=c1[nH]c2ccccc2nc1/C=C(\O)c1ccccc1,8.625251653989896 | |
| 156,CC(C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C,6.6777807052660805 | |
| 157,COc1ccc2c(c1)CCC(Cc1ccncc1)C2=O,8.481486060122112 | |
| 158,Cn1cc(-c2c(N)nc(N)nc2C2CC2)c2ccccc21,8.55284196865778 | |
| 159,OC1(c2cn(-c3ccncc3)nn2)CCCCC1,6.4149907200975385 | |
| 160,O=C1Cc2cc(Cc3ccc(F)cc3)ccc2C(=O)N1O,8.913640169325252 | |
| 161,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,8.623423042943488 | |
| 162,CCCn1nnc(O)c1CC(N)C(=O)O,8.291924718188447 | |
| 163,CS(=O)(=O)NCCCCCC(=O)Nc1ccccc1,5.1249387366083 | |
| 164,O=S(=O)(NCCCn1ccnc1)c1ccc(Cl)c2ccccc12,7.191789027075778 | |
| 165,C=CCc1cc(C)cc2c(=O)oc3c(C)c(O)ccc3c12,8.0 | |
| 166,COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(OC)c1,7.4800408192479315 | |
| 167,Cc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1,8.853999169190228 | |
| 168,CS(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1,8.622511616623868 | |
| 169,Nc1nc2ccccc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1,7.853871964321762 | |
| 170,CCCCNc1nc2ccccc2n2cnnc12,8.712198270069774 | |
| 171,c1ccc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)cc1,8.628932137728263 | |
| 172,CC(C)NC[C@H](O)COc1cccc2ccccc12,6.243363891754152 | |
| 173,CC1=NN2C(=O)COc3cc(C)ccc3C2C1,7.6595558851598815 | |
| 174,CC1=CC(=O)N(Nc2nc(-c3cccs3)ncc2C#N)C1=O,8.301029995663981 | |
| 175,Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1,7.1487416512809245 | |
| 176,CSc1ncnc2c1ncn2C(C)c1cccc(OC(C)=O)c1,8.769551078621726 | |
| 177,Cc1nc2ncnc(N)c2[nH]1,6.709075440617246 | |
| 178,Cc1cc(C(=O)n2nnc3ccccc32)ccc1[N+](=O)[O-],8.387216143280265 | |
| 179,CC(O)(c1ccccc1)c1ccnc(Nc2ccc(C#N)cc2)n1,8.698970004336019 | |
| 180,O=C(N/N=C/c1ccc(O)cc1O)c1cc2cc(Cl)ccc2[nH]1,7.382999658879101 | |
| 181,COc1cc(CN2C(=O)CCC2=O)cc(OC)c1OC,7.124360062995832 | |
| 182,N#Cc1cc2cc(Cl)ccc2oc1=O,7.668977828958171 | |
| 183,N#Cc1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12,8.259637310505756 | |
| 184,NC(=O)CCNCc1ccc(Cl)c(Cl)c1,5.301029995663981 | |
| 185,O=C(CCCCCONC(=O)c1cc(Br)cc(Br)c1)NO,8.763210900590707 | |
| 186,CC(C)c1[nH]c2ccccc2c1Cn1ccnc1,8.698970004336019 | |
| 187,Nc1ccc2c(c1)C(c1ccccc1Cl)=NCC(=O)N2,4.875000466419922 | |
| 188,CC[C@@H]1C(=O)N(C)C[C@@H]1Cc1cncn1C,8.337242168318426 | |
| 189,Cc1ccc(/C(O)=C/C(=O)C(=O)O)c(C)c1,8.698970004336019 | |
| 190,Cn1nc(-c2ccc(Cl)cc2)sc1=Nc1cccc(-c2nn[nH]n2)c1,8.476253533188435 | |
| 191,O=S1(=O)N=C(Nc2ccccc2Br)Nc2c(O)cc(Cl)cc21,7.886056647693163 | |
| 192,COC(=O)Nc1ccc2occ(CCNC(=O)C3CC3)c2c1,8.229147988357855 | |
| 193,N[C@@H](C[C@@H]1CCCC[C@@H]1CCP(=O)(O)O)C(=O)O,8.619788758288394 | |
| 194,Nn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O,4.8947283168932065 | |
| 195,Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1,7.455931955649724 | |
| 196,Cc1cnc(-n2[nH]cc(-n3ccnc3)c2=O)cc1C,8.55284196865778 | |
| 197,O=C(Nc1cccc(-c2ccc(F)cc2)c1)OCc1ccccc1,8.102372908709558 | |
| 198,NS(=O)(=O)c1ccc(N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1,7.705533773838407 | |
| 199,Cc1c(Cn2ccnc2)oc2ccc(C(=O)O)cc12,7.0 | |
| 200,CC(=O)c1c2c(c(C)[nH]c1=O)CC(c1ccncc1)CC2,6.388276691992658 | |
| 201,CCOC(=O)c1cc(CC)sc1NC(=O)CC1SC(=N)NC1=O,8.585026652029182 | |
| 202,CCCCN1/C(=C/C(=O)NO)Sc2ccccc21,8.98296666070122 | |
| 203,C[C@@](O)(C(=O)NC1CCCCC1)C(F)(F)F,8.207608310501746 | |
| 204,CC[C@H]1NC[C@H](O)[C@@H]1O,7.698970004336019 | |
| 205,O=C(O)CC[N+](=O)[O-],7.8326826652518236 | |
| 206,O=C(O)c1cc2cc(Br)cc(OCCc3ccncc3)c2o1,8.346787486224656 | |
| 207,Cc1cc(/C=C/c2cc3ccc(O)cc3nc2Cl)cc(C)c1O,8.806875401645538 | |
| 208,CCOc1cc(-c2c(C)noc2C)cc(C(C)O)c1,7.55129368009492 | |
| 209,NCCCP(=O)(O)c1ccccc1,6.899629454882437 | |
| 210,Cc1ccsc1C(=O)n1nc(Nc2ccc(S(N)(=O)=O)cc2)nc1N,8.619788758288394 | |
| 211,N#C[C@@H]1CCCN1C(=O)CNC(=O)C1=CC=NC2=NC=CC12,8.568636235841012 | |
| 212,NC(=O)N(O)C1COc2cc(OCc3ccccc3)ccc21,8.684729565221408 | |
| 213,CCCn1c(=O)nc2oc3ccc4ccccc4c3cc-2c1=O,7.903089986991944 | |
| 214,CCOC(=O)CCc1c(-c2ccccc2)nc2ccc(Cl)cn12,8.954677021213342 | |
| 215,Cc1c2c(=O)oc3ccccc3c2nn1-c1cccc(Br)c1,7.6020599913279625 | |
| 216,N#CN1CCCC1,8.643398653612792 | |
| 217,Cn1cc[nH]c1=S,8.075720713938118 | |
| 218,CC(C(=O)CP(=O)(O)O)C(N)C(=O)O,8.154901959985743 | |
| 219,Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,8.154901959985743 | |
| 220,CC1=C(c2ccccc2)C(=O)N(c2c(F)c(F)nc(F)c2F)S1(=O)=O,7.481486060122112 | |
| 221,O=c1c2ccccc2sn1CCc1ccccc1,8.446116973356126 | |
| 222,Nc1c(C(=O)c2ccccc2)cc[n+]([O-])c1-c1ccc(Cl)cc1,8.596879478824182 | |
| 223,CNCc1ccc(-c2ncnc3nc[nH]c23)cc1,8.161150909262744 | |
| 224,CCSC(=S)SCC(=O)c1ccc(Cl)cc1,9.0 | |
| 225,COc1ccc(N(C)c2ncnc3ccccc23)cc1,9.0 | |
| 226,N=C1C(c2ccccc2)=Nc2ccccc21,7.647817481888637 | |
| 227,COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1,7.030584087646019 | |
| 228,Cc1nn(C(=O)c2ccc3ccccc3c2)c(C)c1Cl,8.645891560852599 | |
| 229,O=C(O)CN(C(=O)c1ccc2ccccc2c1)c1ccccc1,7.721246399047171 | |
| 230,CCNC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl,8.599462010608054 | |
| 231,O=C(NO)c1ccc(OCc2ccc(F)cc2)cc1O,7.0 | |
| 232,COc1cc2c(cc1OC)C1=NNC(=O)C1=NC(C)(C)C2,8.089322245257295 | |
| 233,CN(C)C(=O)c1sc(-c2ccncc2)nc1O,7.61261017366127 | |
| 234,O=c1cc(N2CCOCC2)nc2c3ccccc3ccn12,8.275724130399212 | |
| 235,O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cncc(Br)c1,7.3854381212744835 | |
| 236,O=c1c(C=Nc2ccc(Cl)cc2O)coc2ccccc12,8.749579997691106 | |
| 237,O=C(Cc1csc(NC(=O)CCC(=O)c2ccccc2)n1)NO,8.344861565188618 | |
| 238,COc1cc2cc(CO)c(CO)cc2cc1OC,7.698970004336019 | |
| 239,COc1ccccc1-c1nc(C(N)=O)c(N)o1,7.441291429466834 | |
| 240,Cc1ccc2c(=O)cc(-c3ccc4ccccc4c3)[nH]c2n1,8.292429823902063 | |
| 241,CC(=O)NCCc1coc2ccc(C(N)=O)cc12,9.0 | |
| 242,O=C(OCc1ccc(Oc2ccccc2)cc1)c1cccc(=S)[nH]1,6.958607314841775 | |
| 243,C[C@H](CO)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1,8.113509274827518 | |
| 244,Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1,8.087246696328677 | |
| 245,Cn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccccc3)nc21,8.09151498112135 | |
| 246,Fc1ccc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)cc1Cl,7.3041682271733075 | |
| 247,Cc1nc2ccccc2c(=O)n1NS(=O)(=O)c1ccccc1,8.066512712151294 | |
| 248,NC(=O)Nc1cccc2c1C(=O)c1c-2n[nH]c1C1CC1,8.853871964321762 | |
| 249,CC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1cn(C)cn1,8.259637310505756 | |
| 250,CCOC(=O)c1cncn1[C@H](C)c1ccccc1,7.3872161432802645 | |
| 251,O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1Cc1ccncc1,8.086186147616283 | |
| 252,COCOc1ccc(-c2n[nH]c(-c3ccnc(C)c3)n2)cc1C#N,7.619788758288394 | |
| 253,O=C1NC(=O)/C(=C/c2ccc(F)cc2)S1,8.638272163982407 | |
| 254,O=C(NCc1ccncc1)c1ccc(Oc2ccc(F)cc2)cc1,9.0 | |
| 255,COc1cccc(NCc2ccc3nc(N)nc(N)c3n2)c1,8.769551078621726 | |
| 256,O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12,8.431798275933005 | |
| 257,Cn1nnnc1-c1o[nH]c(=O)c1CC(N)C(=O)O,7.267606240177032 | |
| 258,CC(=O)N1CCC(Oc2cc3cnccc3cc2Br)CC1,7.900001866923468 | |
| 259,Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)nc1,8.59567953277827 | |
| 260,COc1cccc(C(=O)/C=C2/C(=O)Nc3cccc(Cl)c32)c1,8.978810700930062 | |
| 261,COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1,7.308653235865179 | |
| 262,COc1ccc(C2=C(Nc3cccc(C(=O)O)c3)C(=O)NC2=O)cc1,6.669586226650809 | |
| 263,CC(=O)N1Cc2[nH]nc(NC(=O)c3ccc4c(c3)OCO4)c2C1,8.559090917934782 | |
| 264,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C(=O)NO)cc2)cc1,8.943476275920899 | |
| 265,CCN1C(=O)c2[nH]c(C)nc2N2C1=N[C@@H]1CCC[C@@H]12,8.161150909262744 | |
| 266,COc1nc2ccccc2nc1CCC(=O)O,7.346787486224656 | |
| 267,Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,7.3979400086720375 | |
| 268,COC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1,8.958607314841775 | |
| 269,C[C@@H]1[C@@H](O)CC[C@]2(C)CNCC[C@@H]12,7.756961951313706 | |
| 270,Cc1c(-c2nc3ncccc3o/c2=N\O)cnn1-c1ccccc1,8.913640169325252 | |
| 271,CC1CCc2c(sc3ncnc(SCC(=O)O)c23)C1,8.749579997691106 | |
| 272,O=C1CSC(N2N=C(c3ccccc3)CC2c2ccc(F)cc2)=N1,8.197226274708024 | |
| 273,Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)COC2,7.494850021680094 | |
| 274,NCCn1c(-c2ccc(C(F)(F)F)cc2)nc2cc(C(N)=O)ccc21,8.494850021680094 | |
| 275,O=C(Nc1ccccc1Cl)c1cnn2ccccc12,8.823908740944319 | |
| 276,O=Cc1csc(-c2cccs2)c1,6.301029995663981 | |
| 277,CC(=O)C(=O)[C@H](O)[C@@H](C)O,6.796695083861517 | |
| 278,CN(C)C(=O)c1cccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)c1,8.905878404159438 | |
| 279,COc1nncc(-c2cnnc(SC)n2)n1,7.568636235841013 | |
| 280,O=C(O)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O,8.173925197299173 | |
| 281,O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O,8.358525889495901 | |
| 282,COC(=O)c1c(C)nc2c(c1N)c1ccccc1n2C(=O)OC,8.022276394711152 | |
| 283,Nc1ccccn1,8.045757490560675 | |
| 284,CC1CC(=O)C2OC1OC2(C)C,5.519993057042849 | |
| 285,Cn1cc(C(=O)c2ccccc2)cc1/C=C/C(=N)N,7.638272163982407 | |
| 286,Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,8.336638352465993 | |
| 287,Cc1ccc(Cl)c(Nc2ccccc2-c2n[nH]c(=S)s2)c1Cl,8.763210900590707 | |
| 288,COc1ccccc1Nc1ccc(C(C)=O)cc1C(=O)O,8.047207556955907 | |
| 289,COc1cccc(C(=O)Nc2ccc(CN)cc2)c1O,8.065501548756432 | |
| 290,CN(C)CC(=O)NN1c2ccccc2Sc2ccc(Cl)cc21,8.148741651280925 | |
| 291,COc1ccc(N=Nc2ccc(S(N)(=O)=O)cc2)cc1OC,7.073143291050307 | |
| 292,CCOC(=O)ON(C(=O)OCC)S(=O)(=O)c1ccc(Cl)cc1,7.619788758288394 | |
| 293,COC(=O)c1sccc1NC(=O)Cc1ccc(OC)cc1,9.0 | |
| 294,C#Cc1cncc([C@H]2CCCN2C)c1,8.346787486224656 | |
| 295,CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,7.655843606368793 | |
| 296,CCc1nccc2c1[nH]c1ccccc12,6.59999938302362 | |
| 297,CCc1c(Cc2ccccc2)nc(SCSC)[nH]c1=O,8.013228265733755 | |
| 298,O=C(O)CN(C(=O)c1ccccc1)c1ccc2ccccc2c1,6.657577319177793 | |
| 299,CCC1CCCCNC1=O,5.494850021680094 | |
| 300,CCOc1ccc(Nc2nc(-c3cccc(OC)c3)no2)cc1,8.795880017344075 | |
| 301,c1coc(-c2nnc(-c3ccc4ccccc4c3)c3nocc23)c1,7.877456475931246 | |
| 302,O=[N+]([O-])/C=C/c1cccc(OCc2ccc(Cl)cc2)c1,8.119758224104519 | |
| 303,O=P(O)(O)C(Nc1ccc2c(c1)CCC2)P(=O)(O)O,8.013228265733755 | |
| 304,O=[S@](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1,7.403402904373539 | |
| 305,CCn1nc(-c2cccnc2)c2ccccc2c1=O,8.823908740944319 | |
| 306,COc1ccnc(CS(=O)c2nc3cc(OC(F)F)c(F)cc3[nH]2)c1C,7.700000503883016 | |
| 307,Cc1cn(C2CN3CCC2CC3)nn1,7.903089986991944 | |
| 308,Cc1ccc(Nc2nc(-c3ccccc3F)no2)cc1,8.795880017344075 | |
| 309,O=C(NO)c1cc(O)c(O)c(O)c1,8.795880017344075 | |
| 310,Fc1ccc(Cn2cc[nH]c2=S)cc1,7.330000131185909 | |
| 311,CC(=O)SCC(=O)Cc1c[nH]c2ccc(Br)cc12,6.769551078621726 | |
| 312,COc1cc2cccc(OC)c(=O)c2c(O)c1OC,7.930701987884471 | |
| 313,NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO,9.0 | |
| 314,Cc1nc2c([nH]1)C(=O)C(Cl)=C(Nc1cc(F)cc(F)c1)C2=O,8.075720713938118 | |
| 315,Brc1cccc(-c2cc(NCc3ccncc3)n3ncnc3n2)c1,7.585026652029182 | |
| 316,Nc1nc(NCc2cccc(C(F)(F)F)c2)nc2ccccc12,7.881074247174223 | |
| 317,N#Cc1nnn(C2CN3CCC2CC3)n1,8.481486060122112 | |
| 318,Cn1sc(=O)n(Cc2ccccc2)c1=O,8.0 | |
| 319,COC12CC3CC(N)(CC(C1)c1ccccc13)C2,7.614393726401688 | |
| 320,NS(=O)(=O)c1cc(-c2nc3cccc(-c4ccc(F)cc4)c3s2)cs1,8.168770306132936 | |
| 321,N#Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,7.529999886197673 | |
| 322,NC1=NCCCc2ccccc21,8.698970004336019 | |
| 323,O=C(O)c1c[nH]c2cc(OCc3ccc(Br)cc3)ccc2c1=O,8.169999984192582 | |
| 324,O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccnc1Cl,8.920818753952375 | |
| 325,O=C(/C=C/c1cccc(C(=O)NO)c1)Nc1ccccc1,8.214670164989233 | |
| 326,Fc1cc(Cl)ccc1N=c1sc(=S)n2n1CCCC2,8.959999285526681 | |
| 327,COc1cc(Sc2c[nH]c3ccc(F)cc23)cc(OC)c1OC,8.481486060122112 | |
| 328,COc1ccc(CCc2ccc(O)c(O)c2)cc1OC,7.6439741428068775 | |
| 329,CN1CCCCC1/C=C1\C(=O)CCc2ccccc21,7.0915149811213505 | |
| 330,CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CF)[nH]c(=O)c12,7.356547323513812 | |
| 331,N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1,9.0 | |
| 332,Cc1cccc2c(/C=N/NC(=O)c3ccccc3O)c[nH]c12,7.991825815993574 | |
| 333,O=c1[nH]c2cc(Cl)cc(Cl)c2c(Cl)c1O,8.346787486224656 | |
| 334,CC1CN(c2ccccc2)NC(=O)N1,7.958607314841775 | |
| 335,Nc1nc(N)c2c3c(oc2n1)CN(Cc1ccc(Cl)c(Cl)c1)CC3,7.651695136951839 | |
| 336,COc1ccc(Nc2nc(-c3ccccc3F)no2)cc1,8.958607314841775 | |
| 337,COc1ccc(-c2nc3ccccc3c(=O)[nH]2)c(OC)c1,8.0 | |
| 338,CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21,7.910047224708728 | |
| 339,OC(CC1c2ccccc2-c2cncn21)c1ccccn1,8.05551732784983 | |
| 340,N#C/C(=N\Nc1cc(F)cc(Cl)c1)C(=O)c1noc2ccccc12,7.723538195826756 | |
| 341,COc1ccc(-c2ccc(-c3ccccc3)o2)cc1,8.130768280269024 | |
| 342,COC(=O)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)O,8.639999555020353 | |
| 343,O=c1[nH]c(=O)c2ncc(-c3ccc(O)cc3)nc2[nH]1,7.840132152907433 | |
| 344,Nc1nc(N)c2[nH]c(C3c4ccccc4-c4ccccc43)nc2n1,7.515700160653214 | |
| 345,O=C(NC1CCCCC1)Oc1ccccc1,8.421481698860628 | |
| 346,O=c1[nH]oc(C2CCNCC2)c1Cc1ccccc1,8.397940008672037 | |
| 347,CC(=O)c1ccc(Nc2cccc(Cl)c2)c(C(=O)O)c1,8.935542010773082 | |
| 348,NC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)NCCO)cc12,7.624519285381427 | |
| 349,Nc1c2c(nc3ccccc13)CCCCCC2,8.958607314841775 | |
| 350,Cc1nnc2n1-c1cc(F)c(-c3cccnc3)cc1CC2,7.898940645091884 | |
| 351,CC/C(C)=N\Nc1nc(-c2ccccc2)c(C)s1,8.809668301829708 | |
| 352,Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,8.795880017344075 | |
| 353,O=C1c2ccccc2-c2nnc3c(c21)CCCC3,7.0 | |
| 354,Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(Br)cc1,8.35359627377693 | |
| 355,O=C(O)CC(Cc1cccc(C(=O)O)c1)C(=O)O,7.823908740944319 | |
| 356,CCC(C)C(N)C(=O)N1Cc2ccccc2C1,8.0 | |
| 357,CCn1c(=O)ccc2cnc(NC3CCCCC3)nc21,8.481486060122112 | |
| 358,CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12,7.161150909262744 | |
| 359,CCN(CC)c1nc2ccc(Cl)cc2n2c(C)nnc12,7.769551078621726 | |
| 360,COc1cc(C(=O)N/N=C/c2ccc(OC(F)(F)F)cc2)ccc1O,7.366531544420414 | |
| 361,O=C(/C=C/c1ccccc1)c1ccccc1,7.366531544420414 | |
| 362,CCOC(=O)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1,8.148741651280925 | |
| 363,CC(F)(F)c1cccc(-c2ncn[nH]2)n1,7.6777807052660805 | |
| 364,C/C=C/c1ccc2oc(-c3ccc(O)cc3OC)cc2c1,8.568636235841012 | |
| 365,CCCCN(C)C(=O)c1cc2c(C)[nH]nc2s1,7.619788758288394 | |
| 366,NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc(OC(F)F)cc1,8.958607314841775 | |
| 367,O=C(Nc1ccccn1)NC1CC1,6.0 | |
| 368,COc1ccc2cc(C(N)=O)cnc2c1,8.050609993355087 | |
| 369,CCCCCC(=O)O[C@H]1C(=O)OCC1(C)C,7.632085261206248 | |
| 370,N#CCc1nnc(Cc2nc3ccccc3[nH]2)o1,7.0 | |
| 371,COc1cc(/C=C/c2nnc(-c3ccco3)o2)cc(OC)c1OC,7.862645888629267 | |
| 372,O=C(/C=C/c1ccccc1C(F)(F)F)Nc1ccccc1,8.0762380391713 | |
| 373,Cc1cnc(NC(=O)c2cc(Oc3cccnc3)ccn2)s1,8.446116973356126 | |
| 374,Oc1ccc2[nH]c3c(c2c1)CSc1ccccc1-3,8.346787486224656 | |
| 375,O=C(O)CCCc1nc2cccc(F)c2c(=O)[nH]1,7.753058671977573 | |
| 376,COS(=O)(=O)c1cc(C(C)C)c(O)c(C(C)C)c1,8.0268721464003 | |
| 377,O=C1N/C(=N\c2nccs2)S/C1=C/c1cccc(Cl)c1,6.899974269892137 | |
| 378,O=C(NC1CCCCCCC1)P(=O)(O)O,8.03905380426617 | |
| 379,Cn1c2ccccc2c2c1cnc1c3ccccc3n(C)c12,8.710001024518515 | |
| 380,CSc1ccc(C2=C(c3ccc(O)cc3)C(=O)NC2=O)cc1,7.677573947594047 | |
| 381,Cc1c(C(=O)Nc2ccccc2)nnn1Cc1ccccc1O,7.749999855918706 | |
| 382,N[C@H]1C[C@]1(F)c1ccccc1,7.920818753952375 | |
| 383,O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CC(=S)Nc1ccccc1-3,8.88599985905086 | |
| 384,COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1,8.300162274132754 | |
| 385,O=C(Nc1cc(Cl)cc(Cl)c1)C1=C(O)C(c2ccccc2)OC1=O,8.698970004336019 | |
| 386,O=P(O)(O)C(CS)CCCCc1ccccc1,7.795880017344075 | |
| 387,O=C(NCCCO)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1,6.107905397309519 | |
| 388,O=C(/C=C/c1ccccc1Cl)c1ccccc1,7.036212172654444 | |
| 389,Nc1ncnc2c1ncn2CCNCCCCCO,8.0 | |
| 390,Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O,7.900001866923468 | |
| 391,O=C(/C=C/c1cccn1Cc1cc(F)ccc1F)CC(=O)C(=O)O,8.301029995663981 | |
| 392,COc1ccc(C)cc1S(=O)(=O)Nc1cccnc1,8.732828271596986 | |
| 393,Oc1c(-c2ccccc2)cccc1C(O)(C(F)(F)F)C(F)(F)F,6.803547458296611 | |
| 394,Oc1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1,6.97061622231479 | |
| 395,CO[C@H]1CC=C2CCN[C@H]2C1,7.0 | |
| 396,COc1cc(O)c2c(C)c(-c3ccccc3)c(=O)[nH]c2c1,7.7447274948966935 | |
| 397,O=C(/C=C/c1cccc(Br)c1)c1cc(O)c(O)c([N+](=O)[O-])c1,7.856985199745905 | |
| 398,O=C1c2ccccc2C(Cc2ccc(C(F)(F)F)cc2)C(=O)N1O,7.369572124974976 | |
| 399,O=C1C=CC(=O)N1CCCCCc1ccccc1,8.522878745280337 | |
| 400,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,7.587640267631869 | |
| 401,CCNC(=O)Nc1cc2c(-c3cccnc3)cccc2cn1,8.096910013008056 | |
| 402,O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Br)cc1,8.0268721464003 | |
| 403,c1nc(N2CCC3(CCCCN3)CC2)c2[nH]cnc2n1,7.3872161432802645 | |
| 404,COc1cc2ncnc(Nc3ccc(Br)c(Br)c3)c2cc1OC,8.142667503568731 | |
| 405,CCN(CC)[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,6.443697499232712 | |
| 406,CCCc1c(OC)nc2nc(-c3noc(C)n3)cn2c1C,8.795880017344075 | |
| 407,CO/N=C(\C1=CCCN(C)C1)C(F)(F)F,7.958607314841775 | |
| 408,O=C(Nc1nccs1)C1C(=O)N2CCCc3cc(F)cc1c32,7.838631997765025 | |
| 409,O=C1Cc2cnc3cc(-c4ccccc4)nn3c2-c2cnccc2N1,8.698970004336019 | |
| 410,COCO[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O,8.699000406013823 | |
| 411,O=C1C=CC(=O)C1,7.920818753952375 | |
| 412,O=C(O)c1cc(Cc2ccc(O)c(C(=O)O)c2)ccc1O,5.443697499232712 | |
| 413,Cc1cccc(C(=O)O)c1,6.760000207113128 | |
| 414,Cc1ccnc2c([N+](=O)[O-])cc(Cc3cnc(N)nc3N)cc12,8.244125144327509 | |
| 415,Brc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1,7.962573502059376 | |
| 416,Cc1ccc(Cc2ccc3c(c2)CC(=O)N(O)C3=O)cc1,7.443697499232712 | |
| 417,O=c1[nH]c(=S)nc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]n12,7.436993812938206 | |
| 418,O=c1c(O)c(O)c2c(O)oc3c(=O)c(O)c(O)c4c(O)oc1c2c43,7.454692883534176 | |
| 419,COc1ccccc1NC(=O)C(C)(O)C(F)(F)F,7.211124884224583 | |
| 420,CNC(=O)c1ccc(SC)cc1,7.732828271596986 | |
| 421,Cc1cccc(C(=O)O)c1N=c1sc(-c2ccc(Cl)cc2)nn1C,7.852014679316195 | |
| 422,C(=N/Nc1nc2ccccc2[nH]1)\c1c[nH]c2ccccc12,7.920818753952375 | |
| 423,COc1ccc(CCCn2cc[nH]c2=S)cc1,6.7447274948966935 | |
| 424,Cc1cccc2[nH]c(-c3cccs3)nc12,8.275724130399212 | |
| 425,O=S(=O)(Nc1nccs1)c1ccc(NCc2cccc(F)c2O)cc1,7.721246399047171 | |
| 426,CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1,8.823908740944319 | |
| 427,N=C(N)N,5.657577319177793 | |
| 428,CC(=O)/C=C/c1c(Oc2ccc(NC(C)=O)cc2)nc[nH]c1=O,8.177831920631982 | |
| 429,CCOC(=O)CNC(=O)C(=O)c1c[nH]c2ccc(Br)cc12,8.698970004336019 | |
| 430,COc1ccc2c3c([nH]c2c1)-c1nc2ccccc2c(=O)n1CC3,7.656591406196142 | |
| 431,O=Nc1c(O)c2c(F)c(F)c(F)c(F)c2[nH]c1=O,8.481486060122112 | |
| 432,C[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1,7.508638306165727 | |
| 433,O=C(CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)NO,8.756961951313706 | |
| 434,CC(c1cccc2ccccc12)n1cc(O)c(=O)c(C(=O)O)c1,8.645891560852599 | |
| 435,CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2cccc(O)c2)cc1)C(F)(F)F,7.7447274948966935 | |
| 436,COc1cc2ncnc(Nc3cccc(O)c3Cl)c2cc1OC,8.721246399047171 | |
| 437,O=C(c1ccncc1)c1ccc(F)cc1,5.319936572518051 | |
| 438,CC(=O)c1cccc(OCc2cccc(Cl)c2)c1,7.329754146925876 | |
| 439,CN(C)c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1,8.300000202445418 | |
| 440,O=C(Cc1ccccc1)N(O)CCCP(=O)(O)O,7.169411331314856 | |
| 441,O=C1CCC[C@@H]2OC[C@H](Cc3c[nH]c4ccccc34)N12,6.515557792357593 | |
| 442,O=c1c(-c2ccc(O)cc2)coc2c(O)c(O)ccc12,6.853871964321762 | |
| 443,O=S(=O)(Nc1cccc2cccnc12)Oc1ccccc1,8.488116639021126 | |
| 444,CC12CCC(CC1)C(C)(C)O2,6.589999287456538 | |
| 445,Clc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1,8.22767829327708 | |
| 446,COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3F)c2cc1OC,7.858550226599533 | |
| 447,Oc1cccc(-c2ccc(-c3ccc(F)cc3)s2)c1,8.43711261870612 | |
| 448,CCOC(=O)c1[nH]c(C=O)cc1C,8.036212172654444 | |
| 449,O=C(O)CN1C(C(=O)O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O,8.022276394711152 | |
| 450,O=S(=O)(Nc1cccc(Cl)c1)c1ccc(O)c2ncccc12,8.135488918941608 | |
| 451,Nc1ncnc2n[nH]c(-c3cccc(Oc4ccccc4)c3)c12,7.0 | |
| 452,CC(C)n1cnc2c(Nc3ccnnc3)nc(Cl)nc21,8.795880017344075 | |
| 453,N#CCNC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccccc1,8.499999678657066 | |
| 454,COc1cc(=O)cc2cc(O)c3c(O)cc(C)oc3c12,7.892790030352131 | |
| 455,O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4ccnc4)cc3n2n1,7.774690718274137 | |
| 456,CCSC(=S)SCC(=O)c1ccc(CNC(C)=O)cc1,8.855581481397932 | |
| 457,CNc1cc(-c2ccc(C(F)(F)F)cc2)ccc1NS(N)(=O)=O,8.839231438138873 | |
| 458,CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2cccc(O)c2)cc1)C(F)(F)F,7.7447274948966935 | |
| 459,O=c1nc(SCc2cccc(O)c2)nc(SCc2ccccc2F)[nH]1,6.891434976267165 | |
| 460,NCC=C=Cc1ccccc1,8.939302159646388 | |
| 461,Nc1nccc2ccccc12,8.337242168318426 | |
| 462,Oc1cc(O)cc(-c2ccc3cc(O)ccc3c2)c1,7.275724130399211 | |
| 463,Cc1cccc([C@]2(O)OCC(C)(C)N[C@H]2C)c1,7.481486060122112 | |
| 464,O=C(O)Cn1nc2c(cc1=O)CCc1ccccc1-2,6.806875401645538 | |
| 465,COc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1,8.522878745280337 | |
| 466,O=C1Cc2c([nH]c3ccc(Br)cc23)-c2cccnc2N1,8.075720713938118 | |
| 467,CNC(=O)Nc1ccc2c(c1)/c(=C/C(=O)O)c1c2[nH]c(=O)c2nccn21,7.0 | |
| 468,COc1c(F)cc(O)cc1-c1csc(N2CCOCC2)n1,8.51999305704285 | |
| 469,C[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1,8.703334809738468 | |
| 470,O=c1cc(-c2ccccc2)c2ccc(O)c(O)c2o1,8.744727494896694 | |
| 471,c1ccc(CCCSc2nc3ccccc3[nH]2)cc1,7.920818753952375 | |
| 472,Nc1ncnc2n[nH]c(-c3cccc(Oc4ccccc4)c3)c12,7.0 | |
| 473,CC(Nc1ncc(-c2ccccc2)n1C)c1ccc(Cl)cc1,8.886056647693163 | |
| 474,O=C(/C=C/c1cccc(O)c1)c1cc(O)c(O)c([N+](=O)[O-])c1,7.357535479757878 | |
| 475,O=C1CCc2cc(OCCCc3ccccc3)ccc2N1,7.705533773838407 | |
| 476,C=CCNc1nc(N)c(C(=O)c2ccccn2)s1,7.481486060122112 | |
| 477,CCOc1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1,8.209714835966759 | |
| 478,CCc1cccc(C23SCCN2C(=O)c2ccccc23)c1,8.958607314841775 | |
| 479,O=C1CSC(N2N=C(c3ccc(Br)cc3)CC2c2ccc(Cl)cc2)=N1,8.231361898752386 | |
| 480,COc1ccc2c(c1)CCc1cc(OC)ccc1[N+]([O-])=[N+]2[O-],8.142667503568731 | |
| 481,COc1cc(-c2nn(C(C)C)c3ncnc(N)c23)ccc1N,8.031517051446064 | |
| 482,O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1sccc1Cl,8.769551078621726 | |
| 483,CCCCCc1c(CC(N)C(=O)O)o[nH]c1=O,7.958607314841775 | |
| 484,CC[C@H](C)[C@H](N)C(=O)N1CCC(F)C1,8.42021640338319 | |
| 485,O=C1C=CC(=O)N1c1ccccc1,6.640164517660112 | |
| 486,O=C(NCC1CCCCC1)P(=O)(O)O,9.0 | |
| 487,O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)NCCO3,8.823908740944319 | |
| 488,COc1cc(/C=C/C(=O)c2ccccc2O)ccc1O,7.200659450546418 | |
| 489,CC(C)c1cc(Br)cc(C(C)C)c1O,8.97061622231479 | |
| 490,O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12,7.58225159797441 | |
| 491,Cc1cccc(C#Cc2cccc(OC(=O)CCCBr)c2)n1,8.474955192963154 | |
| 492,COc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1,8.280012794025568 | |
| 493,NCCc1ccc(Cl)c(Cl)c1,7.698970004336019 | |
| 494,C[C@H](NCc1ccc(OCc2ccccc2)cc1)C(=O)O,6.821598658466245 | |
| 495,CCc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2,4.556000510545702 | |
| 496,O=C(O)Cc1cccc2ccccc12,7.494850021680094 | |
| 497,O=C1Nc2ccc(Cl)cc2C1=NN1CCOCC1,8.876148359032914 | |
| 498,CCCn1c(=O)nc2oc3ccccc3cc-2c1=O,7.52432881167557 | |
| 499,CC1(c2cccc(-c3cncnc3)c2)N=C(N)c2c(F)cccc2O1,8.045757490560675 | |
| 500,CC(C)CC(=O)OC(C(=O)O)C(C)C,7.4185054577091005 | |
| 501,CC(=O)n1nc(N)c(Br)c1C,7.903089986991944 | |
| 502,O=C(O)[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccc(C(F)(F)F)cc2)C1,8.119186407719209 | |
| 503,OCC1NC(CO)[C@@H](O)C(O)C1O,8.769551078621726 | |
| 504,CC1(C)C(=O)Nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc21,6.878112014896319 | |
| 505,O=C(Cn1ccnc1)c1ccc(-c2ccc(Br)cc2)cc1,8.823908740944319 | |
| 506,CNC(=S)N1CC=C(C(C)(C)C)CC1,6.7447274948966935 | |
| 507,O=C(NO)c1ccc(/C=C/c2cccc(Cl)c2Cl)o1,7.307329300843631 | |
| 508,Cc1ccccc1-c1ccc2nc(N)ncc2c1,8.408601448718752 | |
| 509,COc1cc2nc(=O)[nH]c(Cc3ccccc3)c2cc1OC,7.886056647693163 | |
| 510,CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(F)c2)s1,8.795880017344075 | |
| 511,CN(C)CCc1coc2ccc(C(N)=O)cc12,8.38000039949954 | |
| 512,CN(C)c1ncnc2c1[nH]c(=O)n2Cc1ccccc1,7.366531544420414 | |
| 513,CN(C)[C@@H]1CC[C@H](c2c[nH]c3ccc(C#N)cc23)C1,8.161150909262744 | |
| 514,N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)O,6.468521082957745 | |
| 515,Cc1cccc2[nH]c(-c3ccccc3O)nc12,8.275724130399212 | |
| 516,O=C(O)CC1CN=CN1,8.518394004304326 | |
| 517,O=C(O)c1cc(O)ccc1O,7.1249387366083 | |
| 518,O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2)cc1,7.533132379645891 | |
| 519,O=c1c2ccc(Br)cc2sn1-c1ccc(Cl)cc1,7.958607314841775 | |
| 520,CC(C)c1cc(C=O)cc(C(C)C)c1O,8.236572006437063 | |
| 521,Cc1cc(C#N)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1,8.782516055786093 | |
| 522,N#CC1=C(SCc2ccccc2)SC(c2ccc(O)c(O)c2)NC1=O,8.853871964321762 | |
| 523,COc1ccccc1-c1cnccc1NS(C)(=O)=O,7.679853713888946 | |
| 524,C(=NC1CCCCC1)c1ccc2c(c1)OCCCO2,8.795880017344075 | |
| 525,Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1,8.638272163982407 | |
| 526,O=P(O)(O)Cc1cccc(C(Cl)P(=O)(O)O)c1,8.096910013008056 | |
| 527,Cc1cn(C2CC(O)C(OP(=O)(O)O)O2)c(=O)[nH]c1=O,7.920818753952375 | |
| 528,CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,8.370998380713008 | |
| 529,COc1cc(OC)cc(-c2nn3c(=O)cc(C(F)(F)F)nc3s2)c1,8.939302159646388 | |
| 530,O=C(c1ccccc1)c1oc2cc(O)ccc2c1-c1ccccc1,8.67778070526608 | |
| 531,O=C(O)[C@@H]1C[C@H]2C[C@@H](OCc3nn[nH]n3)CC[C@H]2CN1,7.767003889607846 | |
| 532,Cc1ccccc1CN1C(=O)NC(=O)C1=O,6.892790030352131 | |
| 533,CC(C)n1nc(-c2cc(C=O)co2)c2c(N)ncnc21,8.224753740259764 | |
| 534,O=P(O)(O)C(Nc1ccc(Oc2ccc(Br)cc2)cc1)P(=O)(O)O,7.305394801066432 | |
| 535,CCCCCC1(CCO)N=N1,7.481486060122112 | |
| 536,O=c1[nH]ccc2cc(OC[C@@H]3CCCNC3)ccc12,6.308918507877031 | |
| 537,O=c1cc(-c2cccc(Cl)c2)[nH]c2ncccc12,8.823908740944319 | |
| 538,O=C(O)[C@H]1C[C@@H](CCc2nn[nH]n2)CCN1,8.2839966563652 | |
| 539,Cc1cc(NC(=O)c2ccccc2)n[nH]1,8.823908740944319 | |
| 540,O=C(c1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12,8.790753151246626 | |
| 541,c1ccc(COc2ccccc2-c2nc3ncccc3[nH]2)cc1,8.096910013008056 | |
| 542,N#Cc1cc(C(F)(F)F)ccc1C#Cc1ccc(NC(=O)C(=O)O)cc1,7.863279432843593 | |
| 543,CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)c(O)c1)C(F)(F)F,8.886056647693163 | |
| 544,C[C@@H](N)c1cccc(N2CCOCC2)c1,8.31887956757741 | |
| 545,NC(=S)Nc1ccccc1,8.814363423038088 | |
| 546,Cc1ncc([N+](=O)[O-])n1CC(C)O,7.54515513999149 | |
| 547,N#Cc1cc(F)cc(Oc2ccc3c(c2C(F)F)[C@H](O)C(F)(F)S3(=O)=O)c1,8.769551078621726 | |
| 548,O=C1C=C(c2ccccc2)C(=O)C(c2ccccc2)=C1,7.941953769604718 | |
| 549,Oc1ccc2[nH]ccc2c1,7.167491087293763 | |
| 550,Clc1ccc(-c2nnc(NCc3ccncc3)o2)cc1,8.259637310505756 | |
| 551,O=C(NCCCCCS)c1cc(-c2ccc(F)cc2)n[nH]1,8.721246399047171 | |
| 552,Cc1ccc(CNc2ccnc(-c3cccc(C#N)c3)n2)cc1,7.3851027839668655 | |
| 553,CC(C)(C)C1(C)CCNC1=O,5.486782399932061 | |
| 554,CC(NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1ccncc1,8.795880017344075 | |
| 555,O=c1cc(-c2ccc(O)cc2)oc2c1ccc1ccccc12,8.013228265733755 | |
| 556,COc1ccc(N)cc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl,8.526424720204755 | |
| 557,O=P(O)(O)C(c1ccccc1)c1ccc(-c2ccccc2)cc1,7.173925197299173 | |
| 558,O=C1/C(=C\c2ccc(O)c(O)c2)Oc2ccccc21,7.5718652059712115 | |
| 559,C[C@H](O)c1cccc2ccccc12,6.669586226650809 | |
| 560,COC(=O)C1=C(c2ccccc2)c2c(OC)cccc2C1=O,7.823908740944319 | |
| 561,O=C(CCCCCONC(=O)c1ccccc1)NO,8.847711655616944 | |
| 562,CC1CCCC/C1=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1,7.349692476868063 | |
| 563,CCNc1ccc(-c2ccc3nc(N)sc3c2)cn1,7.900001866923468 | |
| 564,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S,8.903089986991944 | |
| 565,Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc(Cl)c1Cl,8.494850021680094 | |
| 566,CC(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1,8.744727494896694 | |
| 567,CCCc1[nH]nc2c1C(c1ccc(O)cc1)C(C#N)=C(N)O2,8.454692883534175 | |
| 568,O=C(O)Cc1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1,7.698970004336019 | |
| 569,CCOc1nc(NC(C)=O)cc(N)c1C#N,8.958607314841775 | |
| 570,O=C1C=CC(=O)c2c(O)ccc(O)c21,7.698970004336019 | |
| 571,O=c1[nH]c2cc(Cl)ccc2c(=O)n1O,6.853871964321762 | |
| 572,O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1,7.82102305270683 | |
| 573,O=P(O)(O)C(F)c1ccc2ccc(C(F)P(=O)(O)O)cc2c1,6.886056647693163 | |
| 574,NNC(=O)NCCCCCC(=O)Nc1ccccc1,6.823908740944319 | |
| 575,O=C(O)c1c[nH]c2cc(OCCc3ccc(Br)cc3)ccc2c1=O,7.039999923502186 | |
| 576,Cc1ccc2c(ccn2CCc2c[nH]c3ccccc23)c1,6.886056647693163 | |
| 577,COc1ccc2c(-c3ccccc3)coc2c1,8.65169513695184 | |
| 578,CCC1CCCCC1=O,5.920818753952375 | |
| 579,CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C,8.920818753952375 | |
| 580,O=C(O)C1CN(CCCP(=O)(O)O)C(=O)CN1,7.494850021680094 | |
| 581,CC1NC(C)(C)COC1(O)c1cc(Cl)cc(Cl)c1,8.083546051450075 | |
| 582,CC(C)NC(=O)C1C(=O)N(O)C(=O)c2ccccc21,8.324221658325914 | |
| 583,CCCCCC1(c2ccccc2)NC(=O)NC1=O,7.4089353929735005 | |
| 584,O=C(O)COc1cc(C(=O)O)nc2ccccc12,7.6020599913279625 | |
| 585,O=C(O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1,7.0 | |
| 586,Cn1c(Br)c(Br)c(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1,7.254378778693061 | |
| 587,CCN(CC)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1,8.522878745280337 | |
| 588,COc1ccc2nc(-c3ccc(NC(=O)CC(=O)O)cc3)[nH]c2c1,7.83238732727247 | |
| 589,Cc1ccc(-c2cc(CC(=O)c3c(O)cc(O)cc3O)[nH]n2)cc1,7.309803919971486 | |
| 590,CC(C)n1nc(-c2cc(-c3cccnc3)on2)c(C(N)=O)c1N,8.46916022138348 | |
| 591,O=C(Nc1nc(-c2cccc(Br)c2)cs1)Oc1ccccc1,7.522878745280337 | |
| 592,COc1cccc(-c2cc3c(nn2)-c2ccccc2C3=O)c1,8.798622906494941 | |
| 593,COc1nn(-c2cncc(C(C)(C)O)c2)c2ccccc12,8.853871964321762 | |
| 594,CN1CCC2(c3ccc(O)cc3)CCC1C2,8.137272471682026 | |
| 595,COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1,7.663540266151471 | |
| 596,Nc1nccc(-c2c[nH]c3nc(Br)ccc23)n1,8.886056647693163 | |
| 597,CC[C@H](C)[C@H](N)C(=O)N1CCC1,6.896196279044043 | |
| 598,Nc1ncnc2n[nH]c(-c3ccccc3)c12,8.065501548756432 | |
| 599,Nc1c(C(=O)c2ccccc2)cnn1-c1cccc(F)c1,8.382475465113707 | |
| 600,C[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12,8.821023052706831 | |
| 601,OC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccccn3)cc21,8.910094888560602 | |
| 602,O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21,7.5718652059712115 | |
| 603,O=C1/C(=C/c2ccccc2)SC(=S)N1NS(=O)(=O)c1ccccc1,7.522878745280337 | |
| 604,O=c1cc(-c2ccccc2)oc2cc(O)c(O)cc12,8.400116927926312 | |
| 605,CC(O)(C(=O)Nc1ccc(Cl)cc1Cl)C(F)(F)F,8.698970004336019 | |
| 606,O=C(O)CCCCCC(CS)CCCC(=O)O,8.2839966563652 | |
| 607,CCCC(C(=O)O)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1,7.99978290702777 | |
| 608,NC(=O)c1cc(-c2cccc(CO)c2)cc2cc[nH]c12,8.59999938302362 | |
| 609,COc1ccc(Cn2cc[nH]c2=S)cc1Br,7.079999880484295 | |
| 610,CC1=CC(=NC(C)C)c2ccccc2C1=O,8.397940008672037 | |
| 611,O=C(O)CC1CCCC2(CCNC(C(=O)O)C2)C1,8.366733588844575 | |
| 612,CC1Sc2nnc(-c3n[nH]c4c3CCC4)n2N=C1c1ccc(Cl)c(Cl)c1,8.086186147616283 | |
| 613,Clc1ccccc1-c1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1,8.823908740944319 | |
| 614,C[C@@H]1CSC(=O)[C@H]2Cc3ccccc3N2C1=O,7.698970004336019 | |
| 615,NC(CC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)O,8.698970004336019 | |
| 616,CC(C)n1nc(-c2ccn3ccnc3c2)c2c(N)ncnc21,8.119186407719209 | |
| 617,C[C@@H]1CC(=O)Nc2ccccc2N1,7.853871964321762 | |
| 618,O=C1NO[C@H]2[C@@H]1CN[C@@H]2C(=O)O,7.343901797987168 | |
| 619,CCCCCCCc1cccc2cncn12,8.481486060122112 | |
| 620,Cc1cc(=O)n(C)c2ccccc12,7.739928612014925 | |
| 621,COc1ccc(CC(=O)Nc2ccsc2-c2nc(N)n[nH]2)cc1,8.060480747381382 | |
| 622,Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1,8.24033215531037 | |
| 623,CC(c1ccco1)N(O)C(N)=O,7.619788758288394 | |
| 624,O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2[nH]c1=O,7.8789563072752244 | |
| 625,O=c1cc(-c2ccccc2)oc2cc(F)ccc12,7.888065723667318 | |
| 626,CCC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1,8.457797217565972 | |
| 627,O=C1C=CC(NC(=O)Oc2ccccc2)C1,8.045757490560675 | |
| 628,C[C@@H](CN)n1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21,8.55284196865778 | |
| 629,Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C1CCC1,8.823908740944319 | |
| 630,CS(=O)(=O)c1ccc(/C(=C\c2ccc(O)c(O)c2)C(=O)O)cc1,7.480172006224281 | |
| 631,CC(C)=CC(=O)Oc1cccnc1C(=O)Nc1nccs1,8.585026652029182 | |
| 632,O=C(O)C(=O)CC(=O)c1ccc(N2CCOCC2)cc1,7.638272163982407 | |
| 633,O=C(Cc1csc(NC(=O)COc2ccc(Cl)cc2)n1)NO,8.742321425130816 | |
| 634,O=C(c1ccccc1C(F)(F)F)N1CCN(c2nccs2)CC1,8.522878745280337 | |
| 635,O=C(Nc1ncccn1)NC12CC3CC(CC(C3)C1)C2,7.619607839942972 | |
| 636,C=CCC1(C(=O)O)CCc2c1[nH]c1c(Cl)ccc(Cl)c21,8.920818753952375 | |
| 637,COc1ccc(-c2nccc(NCc3ccccc3)n2)cc1,7.534617148551582 | |
| 638,N#Cc1ccccc1Oc1nc(Cl)ncc1NC(=O)C(=O)O,7.573976984310124 | |
| 639,COc1cccc(NC(=S)Nc2cccc(Cl)c2)c1,7.611543547299734 | |
| 640,Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(C)(F)F)nc2n1,8.67778070526608 | |
| 641,O=C(CCCNC(=O)c1cc2c(cn1)[nH]c1ccccc12)NO,8.806875401645538 | |
| 642,O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,8.227165072760982 | |
| 643,CCNC(=O)c1cccnc1N1CCN(C)CC1,7.657577319177793 | |
| 644,Nc1ccc2oc(N3CCN(c4ccc(Cl)cc4)CC3)nc2c1,8.707965564005264 | |
| 645,CC(=O)Nc1ccc(-c2c[nH]c(=O)c(O)c2)cc1,7.8696662315049934 | |
| 646,N#Cc1ccc(Oc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1,8.619788758288394 | |
| 647,C#CCOc1cc(-n2nnc3nn(CC=C)cc3c2=O)c(F)cc1Cl,7.509999358109048 | |
| 648,Cn1ncc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc21,8.774949303861952 | |
| 649,C=CC(=O)N1CCC[C@@H](Nc2ncnc3[nH]ccc23)C1,8.853871964321762 | |
| 650,CN(C)C1CC(c2ccc(Br)cc2)c2ccccc21,8.045757490560675 | |
| 651,CCCNC(=O)O[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12,5.818156412055227 | |
| 652,Cc1c(C(=O)O)cc(C(F)(F)F)n1-c1ccccc1,7.657577319177793 | |
| 653,C=Cn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)ncnc21,9.0 | |
| 654,COc1ccccc1Nc1nccc(-c2ccc(C(=O)O)cc2)n1,8.40000018605658 | |
| 655,O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cccc(Cl)c1,8.012333735073724 | |
| 656,COc1ccc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2)cc1,7.886056647693163 | |
| 657,N[C@H](Cc1cc(F)ccc1F)c1ccc(-c2ccncc2)cc1,7.1938200260161125 | |
| 658,CN1CCCCC1CC(=O)c1cccs1,7.982966660701219 | |
| 659,COc1ccc(Nc2nc(-c3ccccc3F)no2)cc1,8.958607314841775 | |
| 660,C#CCN(C)Cc1ccc(Cl)cc1Cl,8.036212172654444 | |
| 661,Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1,8.661543506395395 | |
| 662,CN1CCC/C1=N\C(=O)Nc1cccc(Cl)c1,8.698970004336019 | |
| 663,O=C(O)CC[C@@H](O)C(=O)O,7.619788758288394 | |
| 664,CCC(=O)c1c(C)nc2c(c1N)c1ccccc1n2C,8.795880017344075 | |
| 665,O=S1(=O)N=C(Nc2ccccc2Cl)Nc2c(O)cccc21,8.2839966563652 | |
| 666,O=C(O)C1=C(c2ccccc2)c2ccccc2C1=O,7.6020599913279625 | |
| 667,O=C(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1cc(Br)ccc1O,7.619788758288394 | |
| 668,N#Cc1cccc2[nH]nc(N)c12,6.522878745280337 | |
| 669,CC(=O)C1=C(O)C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O,8.995678626217357 | |
| 670,O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccc2sc(CO)nc2c1,8.541966807503494 | |
| 671,O=C(O)/C=C\C(=O)N[C@@H](CCC(=O)O)C(=O)O,7.080921907623926 | |
| 672,CNc1nc(/C=C2\C=Nc3c(Br)cccc32)c(O)n1C,8.96657624451305 | |
| 673,O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,5.949999401714238 | |
| 674,COc1cccc(C(=O)c2cnc(Nc3ccccc3)s2)c1,8.910094888560602 | |
| 675,COc1cc(Sc2c[nH]c3ccccc23)cc(OC)c1OC,8.585026652029182 | |
| 676,CN(C)CCc1c[nH]c2cc3c(cc12)OCO3,7.39040559077478 | |
| 677,CN1CCC[C@H]1COC(=O)c1cccc(N)c1,6.318758762624412 | |
| 678,Cc1ccc([N+](=O)[O-])c(NCCCCN)c1,7.698970004336019 | |
| 679,Cc1nn(CCCC(=O)O)c(=O)c2noc(C)c12,7.186752699102395 | |
| 680,CNc1nc(Nc2ccc(F)cc2)c2cn[nH]c2n1,8.108629825303852 | |
| 681,O=c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12,8.853871964321762 | |
| 682,Nc1nc(NCCCOc2ccc([N+](=O)[O-])cc2)c(N=O)c(=O)[nH]1,9.0 | |
| 683,C#Cc1[nH]nc2c1Cc1cc(OC)c(OC)cc1-2,8.289036881004725 | |
| 684,COc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn23)cc1,7.337242168318426 | |
| 685,CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,6.301029995663981 | |
| 686,FC(CNCc1ccc2c(c1)OCO2)=C1CCCCC1,7.889410289700751 | |
| 687,c1ccc(-c2cnc[nH]2)c(OCCC2CCCC2)c1,8.142667503568731 | |
| 688,COc1cc(/C=C2\S/C(=N\c3nccs3)NC2=O)cc(OC)c1O,6.912928794093465 | |
| 689,CCc1cc2c(Nc3nnc(C)s3)ncnc2s1,7.036212172654444 | |
| 690,O=c1c2ccc(O)c(O)c2oc2cc(O)cc(O)c12,7.221848749616356 | |
| 691,N#C/C(=C\c1ccc(C(=O)O)cc1)C(N)=S,7.920818753952375 | |
| 692,CN(Cc1ccccc1)Cc1ccc(C(=O)C(F)(F)F)s1,8.985059650207063 | |
| 693,Cc1noc(Cn2ccc3ncc(-c4ccc(F)c(C)c4)cc32)n1,8.920818753952375 | |
| 694,Nc1nc2ccccc2[nH]1,6.698970004336019 | |
| 695,Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1,7.00436480540245 | |
| 696,CN1c2ccccc2C(n2cnc([N+](=O)[O-])n2)c2ccccc21,8.931814138253838 | |
| 697,CC(N)=NCc1cccc(CN)c1,8.10790539730952 | |
| 698,Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cn1,8.67778070526608 | |
| 699,Brc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)s1,7.852014679316195 | |
| 700,c1cncc(-c2n[nH]c3ccccc23)c1,8.909741947068683 | |
| 701,Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc21,8.602059991327963 | |
| 702,CNC(Cc1ccccc1N)c1ccc(C)s1,8.2839966563652 | |
| 703,Cc1cc2c(cc1Cl)NC(=O)CN=C2c1ccccc1F,4.146000198199519 | |
| 704,CCC(C)N1CCc2ccc3[nH]c(=O)c(=O)[nH]c3c2C1,7.6777807052660805 | |
| 705,CCCn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O,6.638272163982407 | |
| 706,O=[N+]([O-])c1ccc(NC(=S)N/N=C/c2ccc(O)cc2)cc1,7.345999715369971 | |
| 707,O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(Br)cc1,9.0 | |
| 708,Cc1ccc2c(c1)C1=NN(CC(=O)O)C(=O)CC1CC2,7.197226274708024 | |
| 709,Oc1ccc(/C=C/c2ccc(O)cc2)cc1,7.598599459218456 | |
| 710,C#CCN(N)c1ccccc1,7.94692155651658 | |
| 711,O=C(/C=C1/SC(=O)NC1=O)Nc1cccc(O)c1,7.864867348623225 | |
| 712,COCc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,8.168578182934978 | |
| 713,CC(C)n1nc(-c2cccc3[nH]ccc23)c2c(N)ncnc21,8.337242168318426 | |
| 714,CCOc1ccccc1-c1nc2ccncc2s1,8.040958607678906 | |
| 715,O=P(O)(O)C(F)(F)c1cccc(C#Cc2ccccc2)c1,6.866780543267506 | |
| 716,Cc1ccc(-n2sc(=O)n(Cc3cccc(C)c3)c2=O)cc1,8.00436480540245 | |
| 717,Cc1ccc(Nc2nc(-n3cc(C)nc3C)cs2)cc1,8.204119982655925 | |
| 718,O=S(c1cccc(C(F)(F)F)c1)c1ccc2nnc(-c3ccccc3)n2n1,8.720105019988361 | |
| 719,CCOC(=O)c1cc2cc(-c3ccncc3)ccc2[nH]1,6.647817481888637 | |
| 720,Cc1ccc(/C=N/NC(=O)c2cc3ccccc3oc2=O)cc1,8.958607314841775 | |
| 721,CN(C)c1cccc2c(S(=O)(=O)Nc3ncc(Cl)cn3)cccc12,8.800000874803203 | |
| 722,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,7.841637507904751 | |
| 723,O=C(O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccccn1,7.6020599913279625 | |
| 724,COc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2c1,7.031517051446065 | |
| 725,CC(C)C(=O)NCc1ccc(O)c(O)c1,7.619788758288394 | |
| 726,CN(CC#Cc1ccccc1)Cc1ccc(Br)cc1,7.1487416512809245 | |
| 727,CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)c(Cl)cc21,4.601999194356185 | |
| 728,O=C1NCCCC1Cc1ccccc1,5.841637507904751 | |
| 729,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,8.920818753952375 | |
| 730,COc1cc2c(cc1Cl)C(c1ccccc1)=NCC2,8.200000237109354 | |
| 731,O=C1c2ccccc2Cc2c1ccc(O)c2O,8.397940008672037 | |
| 732,CCCCCSc1ccccc1OC(C)=O,8.301029995663981 | |
| 733,Cn1c2c(c3ccc(Cl)c(Cl)c31)C(C#N)C1(CCNCC1)NC2=O,8.853871964321762 | |
| 734,NC(=S)N/N=C/c1cc(CN2CCOCC2)c(N)cn1,7.958607314841775 | |
| 735,N#Cc1ccc2c(c1)[C@H]1CCC[C@H]1C(N)=N2,7.494850021680094 | |
| 736,Nc1ccc2oc(=O)c(CN3CCCC3)cc2c1,8.423658649794207 | |
| 737,N#Cc1c(-c2ccccc2)nc(SCc2ccccc2)[nH]c1=O,8.351639989019068 | |
| 738,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,8.187086643357144 | |
| 739,NCCNC(=O)c1ccc(Cl)cc1,5.854959059962976 | |
| 740,O=c1oc2ccccc2cc1-c1ccsc1,7.876148359032914 | |
| 741,Nc1nc2c(-c3cccnc3)nccc2[nH]1,7.221848749616356 | |
| 742,[N-]=[N+]=NCC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO,7.576754126063192 | |
| 743,Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12,8.18045606445813 | |
| 744,CC(C)Oc1cncc(-c2ccc3nc(N)sc3c2)c1,8.899998417198647 | |
| 745,COc1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F,8.30900696790013 | |
| 746,c1ccc(-c2cc3nccnc3[nH]2)nc1,7.275724130399211 | |
| 747,COc1cccc(Sc2[nH]c3nc(N)nc(N)c3c2C)c1,8.863279432843592 | |
| 748,COc1ccc(-c2nc(-c3ccnc(N)n3)sc2C(N)=O)c(Cl)c1,7.97469413473523 | |
| 749,Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1,8.87942606879415 | |
| 750,O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc(OC(F)(F)F)cc1,8.431798275933005 | |
| 751,O=C1NS(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])c2c1sc1ccccc21,7.920818753952375 | |
| 752,Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,8.484788695672199 | |
| 753,c1cc(-c2nc(N3CCOCC3)c3cccn3n2)c2cn[nH]c2c1,8.958607314841775 | |
| 754,O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(Cl)c1,9.0 | |
| 755,COc1nc2c(N(C)C)ncnc2n1Cc1ccccc1,8.268801388729079 | |
| 756,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,6.847711655616943 | |
| 757,CCNC(=O)Nc1ccc(C(=O)Nc2ccncc2)cn1,8.455931955649724 | |
| 758,OC[C@@H]1N[C@H](CO)[C@@H](O)C(O)[C@@H]1O,8.3767507096021 | |
| 759,CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C\c1cccc(O)c1,8.130768280269024 | |
| 760,O=NCc1ccccc1-c1ccc2c(c1CN=O)OCO2,6.7447274948966935 | |
| 761,C=CCOC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O,8.192464971931146 | |
| 762,N#Cc1ccc(Cn2ccnc2)cc1OCCc1ccccc1,8.154901959985743 | |
| 763,CCN(C)CCCCC(=O)N(O)CCC(=O)O,7.2076083105017466 | |
| 764,CCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4cnnc4)cc3n2n1,7.036212172654444 | |
| 765,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,8.281913705216908 | |
| 766,CC(C(=O)O)c1nn(C)c2nc(N)[nH]c(=O)c2c1=O,7.703334809738469 | |
| 767,O=C(CS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1,8.882728704344236 | |
| 768,Cc1nn(C)c2c(=O)[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc12,8.638272163982407 | |
| 769,COc1cccc(-c2nc3ccc(N(C)C)cc3c(=O)[nH]2)c1,8.455931955649724 | |
| 770,COc1ccc2cc(C(=O)/C=C/c3cccnc3)ccc2c1,7.97469413473523 | |
| 771,Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,6.9299621333922445 | |
| 772,CC(=O)Nc1ccc(C(=O)/C=C/c2ccccn2)cc1,7.804100347590766 | |
| 773,N#C[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN,8.795880017344075 | |
| 774,NC(N)=Nc1cc(Cl)nc(-c2ccccc2)n1,8.221848749616356 | |
| 775,CO/N=C(\C(=O)NCP(=O)(O)O)c1cccs1,7.6777807052660805 | |
| 776,O=C(Nc1nnc(C(F)(F)F)s1)C1C(=O)N2c3ccccc3Sc3cccc1c32,8.920818753952375 | |
| 777,COc1cccc(-c2nnc(-c3ccc(O)cc3O)s2)c1,8.7281583934635 | |
| 778,C[C@H]1c2[nH]c3cccc(Cl)c3c2C[C@@H]2C(=O)N(C)C(=S)N12,7.333482019445119 | |
| 779,COc1cc2c3c(n1)C(c1ccccc1)=NCC(=O)N3CC2,7.638272163982407 | |
| 780,CCSc1ccc(CC(C)N(C)O)cc1,8.80271944187438 | |
| 781,COc1ccnc(CS(=O)c2nc3ccc(OC(F)(F)C(F)F)cc3[nH]2)c1,8.899998417198647 | |
| 782,CNC(C(=O)O)c1c(C)o[nH]c1=O,7.73754891026957 | |
| 783,O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1O,7.906578314837765 | |
| 784,O=C(Nc1ccncc1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,7.698970004336019 | |
| 785,COc1ccc(/C=C/C(=O)c2ccncc2)cc1,7.920909241395541 | |
| 786,O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccccc1,7.797935558433109 | |
| 787,Oc1ccc(/C=C/c2ccc3ccccc3n2)cc1O,7.0 | |
| 788,C[C@]12N[C@H](Cc3c1ccc1ccccc31)c1ccccc12,8.236572006437063 | |
| 789,NC1=NN(c2cccc(C(F)(F)F)c2)CC1,8.886056647693163 | |
| 790,CC(C)(C)CC1=C(Br)c2nc3ccccn3c2C(=O)C1=O,8.190000154058474 | |
| 791,Cc1ccc2oc(=O)c(-c3cccc(OCCBr)c3)cc2c1,8.610833915635467 | |
| 792,Oc1ccc2c(c1)oc1ccccc12,6.045757490560675 | |
| 793,CC1(N)c2ccccc2-c2[nH]c(=O)c3nccn3c21,8.853871964321762 | |
| 794,Cc1ccc(Nc2c(C)cc(C)cc2C)c(C)c1,8.657577319177793 | |
| 795,O=C(Nc1ccc(Cl)cc1)c1ccc2ccccc2c1O,7.431798275933005 | |
| 796,O=c1[nH]c2cc(Cl)ccc2c2oc3ccccc3c12,8.078833949362261 | |
| 797,Cc1nn(-c2ccccc2)nc1C(N)=O,6.42021640338319 | |
| 798,NC(=O)N(O)Cc1ccc(Sc2ccccc2)s1,8.301029995663981 | |
| 799,CNC(=S)N1CCC(Cc2ccccc2)CC1,6.251811972993799 | |
| 800,Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,7.920818753952375 | |
| 801,COc1nc2nc(C(=O)c3ccccc3)cn2c(C)c1OC,9.0 | |
| 802,CNC[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1,8.431798275933005 | |
| 803,O=C1NCCN(c2cccc(Br)c2)N1,8.309803919971486 | |
| 804,COc1cc(-c2[nH]cnc2-c2cccc(C)c2)ccc1O,8.42021640338319 | |
| 805,C=Cc1ccc(C(=O)OCC)c(NS(=O)(=O)c2ccccc2)c1,8.468521082957745 | |
| 806,Cc1csc(Cl)c1NC1=NCCN1,8.314258261397736 | |
| 807,N=C(N)SCCC(=O)O,7.5376020021010435 | |
| 808,Cc1cccc(Cc2c[nH]c(=O)[nH]c2=O)c1,8.070581074285707 | |
| 809,CCOc1nc2nc3c(c(N)c2cc1C#N)CCCC3,9.0 | |
| 810,Cn1nc(N)c2cc(-c3ccccc3)cnc21,7.638272163982407 | |
| 811,CCCOc1nc(N)nc2nc[nH]c12,7.173925197299173 | |
| 812,O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,8.854492828590338 | |
| 813,O=Cc1cc(O)c2c(c1O)C(=O)C=CC2=O,7.552841968657781 | |
| 814,O=c1[nH]c(SCc2ccc(Cl)cc2)nc2c1CCC2,8.065501548756432 | |
| 815,NC(=O)N(O)CC1CCCC1,8.259637310505756 | |
| 816,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,8.373659632624957 | |
| 817,CC(C)c1ccc2cc(-c3nn[nH]n3)[nH]c2c1,7.522878745280337 | |
| 818,CC1(C)C=C2C(=NN(c3cccc(C(F)(F)F)c3)C(N)=C2C#N)CO1,8.552921079500512 | |
| 819,O=C(CCc1ccc(Cl)cc1)N[C@H]1CCOC1=O,8.481486060122112 | |
| 820,c1nc(N2CCC3(CCCCN3)CC2)c2[nH]cnc2n1,7.327902142064283 | |
| 821,O=c1cc(-c2ccccc2Cl)oc2c(-c3cncnc3)c(O)cc(O)c12,7.070581074285707 | |
| 822,COc1c(O)ccc2c(=O)c3ccccc3oc12,7.187086643357144 | |
| 823,O=C(CC1C(=S)Nc2ccccc21)NCc1ccccc1,7.0 | |
| 824,Cc1ccc(COc2cc([N+](=O)[O-])ccc2NS(C)(=O)=O)cc1,8.756961951313706 | |
| 825,O=C1Sc2ccc(Cl)cc2C(=O)N2CCSC12,6.868060704789575 | |
| 826,O=c1c(O)cccn1Cc1cccc(Cl)c1,8.301029995663981 | |
| 827,CC(C)CCc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2,8.94692155651658 | |
| 828,CC12CC3CC1(C)CC3(CN)C2,6.892790030352131 | |
| 829,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,7.920818753952375 | |
| 830,O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccn4)cc3n2n1,7.698970004336019 | |
| 831,Fc1cc(F)cc(Cn2[nH]nnc2=S)c1,8.812479279163536 | |
| 832,Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c[nH]1)CC2,7.585026652029182 | |
| 833,C/C(=C\c1ccc(O)cc1)c1cc(O)cc(O)c1,8.749579997691106 | |
| 834,CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1,7.692503962086787 | |
| 835,C[C@H](N)C(=O)Nc1cccc(N)n1,7.568636235841013 | |
| 836,NCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O,7.045757490560675 | |
| 837,N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1,7.804100347590766 | |
| 838,COC(=O)CNC(=O)c1sc(-c2ccc(Cl)s2)nc1C,7.651440088193675 | |
| 839,CN1CCC=C(c2cnc(F)c(-c3ccccc3)c2)C1,7.698970004336019 | |
| 840,C[C@@H]1CCC/C(=N/Nc2nc(-c3ccc(C#N)cc3)cs2)C1,7.6595558851598815 | |
| 841,O=C(O)CCc1c(C(=O)O)[nH]c2ccc(Cl)cc12,7.61261017366127 | |
| 842,C[C@H](c1cccc2ccccc12)n1[nH]c2ccccc2c1=O,8.853871964321762 | |
| 843,CC1(C)C=CC2=C(O1)C(=O)c1ccc(O)cc1C2=O,8.2580609222708 | |
| 844,O/C(=C/c1ccccn1)c1ccccc1,5.6020599913279625 | |
| 845,C#CCN(C)CCc1cn(CCc2ccccc2)nn1,7.251037138743839 | |
| 846,CCC[C@@H](O)/C=C/C=C/C=C/C#CC#CCCC=O,8.653647025549361 | |
| 847,CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N,6.709965388637482 | |
| 848,CSCC[C@H](NC(=O)NCc1ccccc1)C(=O)NO,7.657577319177793 | |
| 849,C[C@@H]1C(=O)NN=C(c2ccc(N)cc2)c2cc3c(cc21)OCO3,8.333950261519485 | |
| 850,CN(C(N)=Nc1cccc2ccccc12)c1cccc(N=[N+]=[N-])c1,8.51999305704285 | |
| 851,O=C(O)C(Cn1cnc2ccccc21)P(=O)(O)O,6.903089986991944 | |
| 852,CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1c1nc(C)no1,7.638272163982407 | |
| 853,O=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S1,8.03526907894637 | |
| 854,COC(=O)c1ccc(CS(=O)(=O)c2ccc3nc(N)sc3c2)cc1,8.0 | |
| 855,O=C1/C(=C\c2cnc[nH]2)CCc2ccccc21,7.130768280269024 | |
| 856,CCOc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1,8.229147988357855 | |
| 857,CCCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1,7.3979400086720375 | |
| 858,CCCNC(C)C(=O)Nc1ccccc1C,7.267606240177032 | |
| 859,O=C1CSC(N2N=C(c3ccccc3)CC2c2ccccc2)=N1,8.290730039024169 | |
| 860,CCOP(=O)(O)c1cc2cc(Cl)c(Cl)cc2[nH]c1=O,7.823908740944319 | |
| 861,O=C1O/C(=C\c2ccc(O)cc2)C(O)=C1c1ccc(O)cc1,6.698970004336019 | |
| 862,S=C(Nc1ccccc1)Nc1cccnc1,8.074172425375258 | |
| 863,CN(C)C/C=C(\c1cccnc1)c1ccccc1Br,8.657577319177793 | |
| 864,N#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1,8.555330769061475 | |
| 865,O=C(NO)c1ccc(NC2CCN(c3ccc(Cl)cc3)C2=O)c(Cl)c1,7.649751981665837 | |
| 866,COc1ccc(CNC(=O)c2c(C)occ(O)c2=O)cc1,7.478712816679262 | |
| 867,CS(=O)(=O)c1ccc(N2N=C(C(=O)O)CC2c2cccs2)cc1,8.844663962534938 | |
| 868,O=S(=O)(c1cc(F)c(O)c2ncccc12)C1CCCC1,8.100000128334196 | |
| 869,COc1ccc(C(=O)O)c(Nc2ccccc2)c1,8.779891911959945 | |
| 870,O=C(Cl)N1c2ccccc2Oc2ccccc21,7.634512015109101 | |
| 871,O=c1c(-c2cccc(Cl)c2)c[nH]c2cc(O)cc(O)c12,7.991399828238082 | |
| 872,Clc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1,7.013228265733755 | |
| 873,CC(=O)c1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1,7.0 | |
| 874,Cc1cccc2c(=O)cc(N3CCOCC3)oc12,8.782516055786093 | |
| 875,Nc1nc(N)c2nc(CSc3ccc(Cl)cc3)cnc2n1,7.375717904164332 | |
| 876,Nc1cccnc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1,7.795880017344075 | |
| 877,O=C(OCc1ccc(Cl)cc1)c1cccc(=S)[nH]1,6.899629454882437 | |
| 878,CCCC(=O)/C=C/C=C/C=C/C#CC#CCCCO,8.515700160653214 | |
| 879,O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O,7.42021640338319 | |
| 880,CN(O)C(=O)CS(=O)(=O)C(c1ccccc1)P(=O)(O)O,6.939302159646388 | |
| 881,COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,8.66394072213365 | |
| 882,Nc1nc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c(=O)[nH]1,7.318758762624412 | |
| 883,CNc1nc2ccccc2n2cnnc12,7.0 | |
| 884,Oc1ccc2ccc3[nH]c4cc(-c5ccccc5)ccc4c3c2c1,7.657577319177793 | |
| 885,CCNC(=O)O[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12,8.4089353929735 | |
| 886,C[C@@H]1Cc2cccc(O)c2C(=O)O1,7.301029995663981 | |
| 887,O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n[nH]1,8.48412615628832 | |
| 888,CS(=O)(=O)Nc1cc(O)c(O)c(C(=O)NCc2ccc(F)cc2)c1,7.468521082957745 | |
| 889,NC1CC1c1c(F)c(F)c(F)c(F)c1F,8.045757490560675 | |
| 890,Nc1nc2ccc(OC(F)(F)F)cc2s1,8.761201437286083 | |
| 891,COC(=O)c1cccc2c3c(c(CC(C)C)cc12)C(=O)NC3=O,8.221848749616356 | |
| 892,O=C1C=C(O)C(Cc2ccc3cc(C(=O)O)ccc3c2)=CC1=O,8.045757490560675 | |
| 893,O=c1cc(N2CCOCC2)nc(Cc2nc3ccccc3[nH]2)[nH]1,8.542118103266008 | |
| 894,Cn1c(Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc(=O)n(O)c1=O,8.207608310501746 | |
| 895,O=C(O)c1cccc(OS(=O)(=O)/C=C/c2ccccc2)c1,7.86899118720936 | |
| 896,COc1ccc(-c2sc3cc(OC)ccc3c2C=O)cc1,8.744727494896694 | |
| 897,Cc1nc2c(NCc3c(Cl)cccc3Cl)cccn2c1Cl,8.920818753952375 | |
| 898,O=c1nc(SCc2cccc(O)c2)nc(SCc2ccc(Cl)cc2)[nH]1,6.88907375773358 | |
| 899,c1csc([C@@]23CNC[C@@H]2C3)c1,8.207608310501746 | |
| 900,O=C(Nc1nccs1)c1ccccn1,7.58838029403677 | |
| 901,NC(=O)N1c2ccccc2C=Cc2ccccc21,6.979999397807417 | |
| 902,O=S1(=O)Nc2c(ccc3c(Cl)ccnc23)-c2ccccc21,7.903089986991944 | |
| 903,N#Cc1ccc(Oc2ccc(Nc3nccc(N)n3)cc2)cc1,8.698970004336019 | |
| 904,CS(=O)(=O)c1ccc(-c2[nH]c(Cl)c(Cl)c2-c2ccc(F)cc2)cc1,7.698970004336019 | |
| 905,CCOc1cc(/C=C2\Sc3ncccc3C2=O)c(Br)cc1O,8.602059991327963 | |
| 906,Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1,8.870000928042574 | |
| 907,COc1cccc(OC(=O)COC(=O)/C=C/c2ccccc2)c1,7.404503778174426 | |
| 908,CCCCOc1ccc(C2=N[C@@H](CO)[C@H](C)S2)cc1,8.67778070526608 | |
| 909,O=C(Nc1ccc(Cl)cn1)c1cc(F)cc(Oc2cncnc2)c1,8.968284608132105 | |
| 910,O=C1C(c2c(O)[nH]c3cc(Cl)c(Cl)cc23)=Nc2ccccc21,7.346787486224656 | |
| 911,O=C(/C=C/c1cc2ccccc2nc1Cl)c1ccc2c(c1)OCO2,6.93218548883816 | |
| 912,C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1,8.309803919971486 | |
| 913,O=C(/C=C/c1cc(Br)c(O)c(Br)c1)/C=C/c1cc(Br)c(O)c(Br)c1,7.161150909262744 | |
| 914,O=C(CCl)Nc1ccc(Cl)cc1NS(=O)(=O)c1c(Cl)cccc1Cl,7.485452247339714 | |
| 915,CC1=C(CCCCC(=O)O)C(=O)c2c(O)cccc2C1=O,8.602059991327963 | |
| 916,Fc1ccc2nc(-c3ccccn3)[nH]c2c1,7.826813731587726 | |
| 917,O=c1[nH]c2ccccc2c(=O)n1O,7.7423214251308154 | |
| 918,C=CCO/N=C1\CN2CCC1C2,8.39254497678533 | |
| 919,Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1CCC1,8.801342913045577 | |
| 920,O=C(Nc1ccc(Cl)cc1Cl)c1cn[nH]n1,7.665546248849069 | |
| 921,Cc1ccc(C(=O)CCN(CCO)CCO)o1,8.187086643357144 | |
| 922,O=[N+]([O-])c1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc32)o1,7.874518734299406 | |
| 923,CCN1CCOC2c3ccc(OC)cc3CC[C@H]21,8.325138859262188 | |
| 924,O=C/C=C/c1cccc(OCc2ccccc2)c1,7.301029995663981 | |
| 925,C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)c(F)c1,7.924453038607469 | |
| 926,CC(=O)c1ccc(O)cc1,6.72584215073632 | |
| 927,CCCCCC/C=C/C(=O)C(F)(F)F,7.100000128334196 | |
| 928,O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1,4.0 | |
| 929,COc1ccc(-c2nc(O)c(-c3ccccc3)s2)cc1,8.619788758288394 | |
| 930,O=C(CCCCCCc1nc(-c2ccc(F)cc2)no1)NO,8.05749589383192 | |
| 931,Nc1nc2ccc3c(N)c(F)ccc3c2c(=O)[nH]1,6.924453038607469 | |
| 932,O=P(O)(O)C(Cl)(Cl)P(=O)(O)O,6.91721462968355 | |
| 933,CS(=O)(=O)c1ccc(/C(=C\c2cccc(F)c2)C(=O)O)cc1,7.410050398674292 | |
| 934,COc1ccc2c(c1)ncn2-c1ccsc1,8.187086643357144 | |
| 935,c1ccc2c(-c3cnc4cnc(-c5cn[nH]c5)cn34)c[nH]c2c1,8.886056647693163 | |
| 936,O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12,8.285938613185849 | |
| 937,CCc1c(OC)nc2nc(-c3noc(C(F)(F)F)n3)cn2c1C,8.494850021680094 | |
| 938,CC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1,7.5718652059712115 | |
| 939,COc1ccccc1-c1cc2nccnc2[nH]1,7.698970004336019 | |
| 940,Cc1cc2nc3c4ccccc4c(N=O)c-3[nH]c2cc1C,8.756961951313706 | |
| 941,CN(C)Cc1cccnc1,5.292429823902063 | |
| 942,COc1cc2ccccc2cc1C(=O)NCc1ccc(Cl)cc1,8.096910013008056 | |
| 943,Cc1ccc2oc(=O)c(-c3cccc4ccccc34)cc2c1,7.255941834121164 | |
| 944,Cc1ccc(Cn2sc(=O)n(Cc3ccccc3)c2=O)cc1,7.690369832574101 | |
| 945,Nc1nc2ccc(-c3ccc(C(F)(F)F)nc3)cc2s1,9.0 | |
| 946,CN1C/C(=C\c2ccccn2)C(=O)/C(=C/c2ccccn2)C1,8.397940008672037 | |
| 947,Nc1ccc(-c2cc(=O)c3c(O)c(N)ccc3o2)cc1,6.651695136951839 | |
| 948,O=C(O)C(=O)CC(=O)c1ccc(Cl)cc1Cl,8.006563769502389 | |
| 949,c1nc2nc(-c3ccsc3)nc(N3CCOCC3)c2[nH]1,8.62324060459512 | |
| 950,c1ccc2cc(-c3cnnn3-c3ccncc3)ccc2c1,7.730487055782084 | |
| 951,O=c1sc(Nc2cccc(C(F)(F)F)c2)nc2[nH]ncc12,7.47893125197363 | |
| 952,O=C(NCc1ccccc1)c1sc(-c2ccncc2)nc1O,7.283162276700476 | |
| 953,C#CCNC1CCc2c(OCc3cccc(F)c3)cccc21,8.2839966563652 | |
| 954,O=C(CCc1ccc(F)cc1)c1c(O)cc(O)cc1O,8.017728766960431 | |
| 955,CC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12,8.0 | |
| 956,O=C1CS/C(=N/N=C/c2cc(Cl)ccc2O)N1,8.749579997691106 | |
| 957,O=C1C(c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)=Nc2ccccc21,7.721246399047171 | |
| 958,Cc1ncccc1-c1nc(C)c2c(C)nc3scnc3n12,8.730487055782083 | |
| 959,COc1cc(C=C(C#N)C#N)cc(CSc2ccccc2)c1O,8.601028465049222 | |
| 960,C=CCN,6.301029995663981 | |
| 961,O=C(NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,6.301725423325633 | |
| 962,CCn1c(NC2CCCC2)nc2cc(C)sc2c1=O,7.958607314841775 | |
| 963,CCn1ccc2c3c(=O)cc(-c4ccc(F)cc4)[nH]c3ccc21,8.431798275933005 | |
| 964,COc1ccc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=O,7.447331783887806 | |
| 965,COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@H]1C,6.769551078621726 | |
| 966,Oc1ccc(O)c(-c2cn3ccsc3n2)c1,8.193820026016112 | |
| 967,O=C(NCCC1CCOCC1)Nc1ccc2nnsc2c1,8.443697499232712 | |
| 968,O=C(OCc1cc(F)cc(F)c1)c1cccc(=O)[nH]1,7.1487416512809245 | |
| 969,O=C(O)Cn1cc(Cc2nc3c(F)cccc3s2)c2ccccc21,7.958607314841775 | |
| 970,O=c1[nH]c2c(n3ccnc13)Cc1ccccc1-2,8.744727494896694 | |
| 971,CC1=CC(=O)C=CC1=O,7.2441251443275085 | |
| 972,Cc1ccccc1-c1ccc2nc(N)ncc2c1,8.303993284781454 | |
| 973,O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1ccsc1,8.986236145266068 | |
| 974,COc1ccc(C=O)cc1,8.281498311132726 | |
| 975,O=C(CC12CC3CC(CC(O)(C3)C1)C2)NO,7.638272163982407 | |
| 976,CCc1[nH]nc2[nH]c(=O)cc(C3CCCCC3)c12,8.795880017344075 | |
| 977,O=C(O)CN1C(C(=O)O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O,8.022276394711152 | |
| 978,Cc1ccc(C(=O)n2nnc3cc(Cl)c(Cl)cc32)cc1C,8.41793663708829 | |
| 979,Nc1n[nH]c(N)c1N=Nc1ccccc1,7.214670164989233 | |
| 980,CCCC(CCS)S(=O)(=O)c1ccc(OC)cc1,8.823908740944319 | |
| 981,O=C(N/N=C/c1ccccc1)C1=C(O)c2ccccc2S(=O)(=O)N1,8.718966632752272 | |
| 982,O=c1cc(CNS(=O)(=O)c2ccccc2)occ1O,8.784509164597061 | |
| 983,c1ccc(CNc2ncnc3nc[nH]c23)cc1,6.619065536669298 | |
| 984,O=C(CCCCS)Nc1ccccc1,8.207608310501746 | |
| 985,CCCOC(=O)Nc1nnc(-c2ccc(C(=O)O)cc2)s1,8.244125144327509 | |
| 986,O=C(O)CN1CCC(CS)C1=O,8.431798275933005 | |
| 987,C[C@H](N)C(=O)N1CCCC1,7.3872161432802645 | |
| 988,OCc1ccc(-c2cccnc2)cc1,7.920818753952375 | |
| 989,Cc1ccc2nc3c4ccccc4c(=O)[nH]c3n2c1,8.369572124974976 | |
| 990,Cc1cc(C(=O)O)c(C)n1-c1ccc(F)cc1,8.721246399047171 | |
| 991,Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1,7.275724130399211 | |
| 992,CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2ccc(O)cc12,8.39254497678533 | |
| 993,CC(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O,6.455931955649724 | |
| 994,COc1ccc(CCc2nc(C(F)(F)F)cc(=O)[nH]2)cc1,7.6020599913279625 | |
| 995,CN1Cc2c(S(=O)(=O)N(C)C)cc3c(N=O)c(O)[nH]c3c2C1,7.886056647693163 | |
| 996,C[C@@H]1NC[C@@]2(c3cccs3)C[C@@H]12,8.022276394711152 | |
| 997,Cc1ccc(N=C(N)N)cc1,8.031517051446064 | |
| 998,O=C(O)Cc1cn(C(=O)OCc2ccccc2)c2ccccc12,6.522878745280337 | |
| 999,Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1,8.37571790416433 | |
| 1000,N/N=C/c1ccc(Cl)cc1,5.130768280269024 | |
| 1001,CN1CCN2c3ncccc3Cc3ccccc3C2C1,8.499999678657066 | |
| 1002,O=c1[nH]c(Nc2ccc(Br)cc2)nc2nc[nH]c12,9.0 | |
| 1003,C#CCOC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O,8.045757490560675 | |
| 1004,CS(=O)(=O)c1ccc(/C=C(/C(=O)O)c2ccccc2)cc1,6.856360764725457 | |
| 1005,COc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1,7.0655015487564325 | |
| 1006,COc1cnc(/C=C\c2cc(OC)c(OC)c(OC)c2)cn1,8.049999969853415 | |
| 1007,O=C1C(=O)c2c(oc3cc(O)c(O)cc23)-c2oc3cc(O)c(O)cc3c21,7.494850021680094 | |
| 1008,CN1C(=O)CN=C(c2ccccc2)c2cc(F)ccc21,4.229999745811777 | |
| 1009,O=c1cc(O)c2ccc(OCc3cccc(F)c3)cc2o1,8.679999195735272 | |
| 1010,O=C1C(Br)=CC2(C=C1Br)CCNc1c(O)c3c4c(c12)=NCCC=4C=N3,6.783042792638903 | |
| 1011,O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1Br,7.468521082957745 | |
| 1012,Cc1nc2ccccn2c1C(=O)Nc1cccc(C(F)(F)F)c1,8.154281982033341 | |
| 1013,O=C(NNC(=O)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,7.795880017344075 | |
| 1014,Oc1ccc(Nc2nnnc3sc4c(c23)CCC4)cc1,7.411952503013917 | |
| 1015,Brc1cccc(/C=C/CSSC/C=C/c2cccc(Br)c2)c1,7.12257105921178 | |
| 1016,O=C(O)Cc1ccccc1Nc1cccc(Cl)c1Cl,4.0 | |
| 1017,NCCc1c[nH]c2ccc(Cc3nc(N)no3)cc12,8.499999678657066 | |
| 1018,O=c1[nH]oc(C2CCNCC2)c1Cc1ccccc1,8.397940008672037 | |
| 1019,Nc1nc2ccccc2c2cc3cnccc3cc12,8.67778070526608 | |
| 1020,COc1c(C(=O)CC(=O)c2ccccc2)ccc2occc12,8.218963061378869 | |
| 1021,CCN(Cc1ccccc1)C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],8.280000380871156 | |
| 1022,Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2,7.795880017344075 | |
| 1023,N#Cc1cccc2ccccc2c1=O,8.438898616350944 | |
| 1024,Clc1ccc(-c2cc(-c3nnc4n3N=C(c3ccc(Cl)c(Cl)c3)CS4)[nH]n2)cc1,7.838631997765025 | |
| 1025,O=C(O)Cc1ccccc1Nc1cccc(Cl)c1Cl,4.0 | |
| 1026,O=C(O)C(=O)CC(=O)c1cccc(-c2ccccc2)c1,8.489454989793387 | |
| 1027,O=C(/C=C/c1ccc(O)cc1)c1ccccc1,7.515700160653214 | |
| 1028,O=C(CCCCCOc1cccc(O)c1)C(F)(F)F,8.29929628285498 | |
| 1029,C[C@H](N)CC(=O)NCC(=O)O,7.552841968657781 | |
| 1030,COC(=O)c1cc2[nH]c(=O)c(=O)[nH]c2c2c1CN(C)CC2,7.657577319177793 | |
| 1031,CN1N=C(c2ccc(O)cc2)CC1c1cccc(Cl)c1,8.684029654543082 | |
| 1032,Cc1c(C(=O)O)sc2[nH]c(=O)n(O)c(=O)c12,8.102372908709558 | |
| 1033,O=C(NO)c1sc2ccccc2c1Cl,7.42712839779952 | |
| 1034,Cc1nn(-c2cccc(Cl)c2)c2c1c(=O)n(C)c1ccccc21,9.0 | |
| 1035,Cc1nc(Nc2cnc3ccccc3c2)c2[nH]cnc2n1,7.568636235841013 | |
| 1036,Cc1cc(/C=C2\CCN(C)C2)on1,7.804100347590766 | |
| 1037,CC1=CC(C)(C)Nc2c1cc1c(C(F)(F)F)cc(=O)[nH]c1c2C,8.475474063373625 | |
| 1038,Oc1c(Br)c(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br,8.903089986991944 | |
| 1039,Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1cc2ccccc2[nH]1,8.886056647693163 | |
| 1040,COc1ccc(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)cc1,7.490797477668897 | |
| 1041,O=C1Nc2c(Cl)ccc(OCCO)c2C2(CCCCC2)N1,7.913640169325252 | |
| 1042,CCCCCC1C(=O)N(O)C(=O)c2ccccc21,8.869666231504993 | |
| 1043,Cc1cccc(Nc2ncnc3sc4c(c23)CCCC4)c1,8.747146969020108 | |
| 1044,CC(C)C1c2sccc2CCN1C,8.10790539730952 | |
| 1045,O=C(O)[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccc(Cl)c(Cl)c2)C1,7.920818753952375 | |
| 1046,Oc1ccc(-c2ccc(C(O)c3ccncc3)cc2)cc1,8.493494967595128 | |
| 1047,C=CCNc1nc(N)c(C(=O)c2ccncc2)s1,7.309803919971486 | |
| 1048,c1nc(N2CCC3(CCCCN3)CC2)c2[nH]cnc2n1,6.94692155651658 | |
| 1049,CCNC(=S)Nc1cc(-n2ccnc2)nc(C)n1,8.059483515067432 | |
| 1050,COCN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21,5.6330002346115595 | |
| 1051,O=c1[nH]c2cc3no[n+]([O-])c3cc2[nH]c1=O,8.119186407719209 | |
| 1052,Oc1ccccc1-c1nc2ncccc2[nH]1,7.431798275933005 | |
| 1053,CC(C)(C)C1COC(=O)C1,4.886056647693163 | |
| 1054,CCn1c(=O)n(CC)c2cc(C=O)ccc21,6.853871964321762 | |
| 1055,COc1ccc(Cn2cc[nH]c2=S)cc1F,7.130000141365475 | |
| 1056,Nc1nc(N)c([N+](=O)[O-])c(OCc2cccc(F)c2)n1,8.602059991327963 | |
| 1057,FC1Cc2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc2C1(F)F,9.0 | |
| 1058,O=C1CC(CS)C(=O)N1c1ccc(F)c(F)c1,7.995678626217358 | |
| 1059,O=C(O)COc1cccc(-c2cc3ccccc3[nH]c2=O)c1,6.991399828238082 | |
| 1060,O=C(NS(=O)(=O)c1ccc(F)cc1)c1cccnc1Cl,7.542723813938674 | |
| 1061,Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,6.803547458296611 | |
| 1062,NCCc1coc2ccc(C(N)=O)cc12,8.130000141365475 | |
| 1063,Nc1nc2cccnc2n1CC(O)c1cccc(Cl)c1Cl,8.2839966563652 | |
| 1064,NC(N)=NCCC[C@H](N)C(=O)N1CCCC1,8.721246399047171 | |
| 1065,COc1ccc2c(=O)[nH]c(/C=C/c3ccccc3)nc2c1,8.244125144327509 | |
| 1066,CC1CCc2c(sc3ncn(N)c(=N)c23)C1,5.900146780115619 | |
| 1067,COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC,8.040958607678906 | |
| 1068,O=C(O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O,7.187086643357144 | |
| 1069,CC(=O)c1sc(Nc2ccc(Br)c(C(F)(F)F)c2)nc1C,8.715343717211484 | |
| 1070,O=C(O)C1=Cc2ccccc2CC1=O,7.820000358220839 | |
| 1071,O=C(O)Cc1ccccc1Nc1ccc(Cl)c(Cl)c1,5.149999867728904 | |
| 1072,Nc1nc(N)c2nc(CCc3cccc4ccccc34)cnc2n1,7.221848749616356 | |
| 1073,O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc[nH]1,6.573488738635425 | |
| 1074,C=CCc1cccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c1O,7.698970004336019 | |
| 1075,NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12,8.1249387366083 | |
| 1076,CCN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S,6.721246399047171 | |
| 1077,Nc1n[nH]c(N)c1N=Nc1ccncc1,8.876148359032914 | |
| 1078,O=c1[nH]c2ccc(Cl)cc2cc1CNc1ccc(-n2ccnc2)cc1,8.767003889607846 | |
| 1079,O=C(NCCS)C(=O)Nc1ccccc1,8.55284196865778 | |
| 1080,Cc1cc(-c2n[nH]c(CNc3ccc(Cl)cc3)n2)ccn1,8.148741651280925 | |
| 1081,COC(=O)c1ccc(Cl)nc1N(C)c1ccc(OC)cc1,8.853871964321762 | |
| 1082,O=C1NC(=O)C2C3c4ccccc4C(c4cccc(Cl)c43)C12,7.958607314841775 | |
| 1083,O=C1C=C(c2ccc3[nH]ccc3c2)CCC1,7.251811972993799 | |
| 1084,Clc1ccc2sc(SCc3cn(Cc4ccccc4Cl)nn3)nc2c1,7.698970004336019 | |
| 1085,CC1=CC(=NC(C)C)c2ccccc2C1=O,8.200659450546418 | |
| 1086,CSc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1,7.522878745280337 | |
| 1087,COc1cc(/C=N/Nc2ccc(F)cc2)ccc1O,8.920818753952375 | |
| 1088,CC1=NC(SCc2ccc(Cl)cc2Cl)=NC(=O)C1,6.66354026615147 | |
| 1089,C[C@H]1C[C@H]2CSC(N)=NC2(c2cc(C#N)ccc2Cl)CO1,8.63264407897398 | |
| 1090,CCc1[nH]c(=O)nc2ccc(OC)c(OC)c12,7.7447274948966935 | |
| 1091,NC(=S)NCC(=O)O,7.7447274948966935 | |
| 1092,COc1cc(-c2cc3c(nn2)-c2ccccc2C3=O)ccc1O,8.0 | |
| 1093,CC(=O)c1cccs1,6.823908740944319 | |
| 1094,CCC1CCCCNC1=O,5.494850021680094 | |
| 1095,COc1ccc2c(c1)[nH]c1c(C)nccc12,7.7447274948966935 | |
| 1096,COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,7.175874166083451 | |
| 1097,CC(C)CSc1cccc(OS(C)(=O)=O)n1,5.698970004336019 | |
| 1098,COc1ccc2c(c1)NC(=O)Cc1c-2[nH]c2ccc([N+](=O)[O-])cc12,9.0 | |
| 1099,Nc1ccc(-n2cnc3ccccc32)cc1,8.698970004336019 | |
| 1100,O=C(O)CNC(=O)c1cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c[nH]1,8.2839966563652 | |
| 1101,O=C(Nc1ccccc1)c1nc(-c2cccs2)[nH]c(=O)c1O,9.0 | |
| 1102,N[C@H](C(=O)O)[C@H](OCc1ccsc1)C(=O)O,8.910461368774685 | |
| 1103,Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1,7.809999051930338 | |
| 1104,N=C(N)c1ccc2nc(-c3ncnc(-c4ccccc4)c3O)[nH]c2c1,8.958607314841775 | |
| 1105,CC(=O)N(CC(=O)O)c1ccc(C)cc1,7.823908740944319 | |
| 1106,CCOC(=O)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12,8.939302159646388 | |
| 1107,O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnco2)cc1,7.920818753952375 | |
| 1108,O=C(/C=C/c1ccc(CONC(=O)c2ccccc2)cc1)NO,8.978810700930062 | |
| 1109,O=C(NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(F)cc1,6.333669255698031 | |
| 1110,COc1ccc(N=Cc2ccc(S(N)(=O)=O)cc2)cc1OC,7.504872118757067 | |
| 1111,O=C(O)/C=C/c1cc(Br)c(Br)c(Br)c1Br,8.154901959985743 | |
| 1112,O=c1cc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(F)cc2)cc[nH]1,7.841637507904751 | |
| 1113,O=[N+]([O-])c1c(O)c(F)c(OCc2ccc(-c3ccccc3)cc2)c(F)c1F,6.698970004336019 | |
| 1114,COC(=O)Nc1nc2ccc(C(=O)c3cc(CN)cs3)cc2[nH]1,6.920818753952375 | |
| 1115,CCOC(=O)c1cc(-c2ccc(NC(C)=O)cc2)n[nH]1,4.638272163982407 | |
| 1116,CC(C)CC(N)P(=O)(O)Oc1ccccc1,8.031517051446064 | |
| 1117,N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1,7.045757490560675 | |
| 1118,COc1ccc(NCC(=O)N/N=C/c2ccncc2)cc1,8.431798275933005 | |
| 1119,COc1ccc2c(c1)OCC(C(=O)c1cc(O)ccc1O)=C2,8.400116927926312 | |
| 1120,COc1cc(O)c(/C=C\C(=O)O)cc1[C@@H](O)CC(C)C,7.313363730737707 | |
| 1121,O=C(/C=C(\O)c1cc(O)ccc1O)/C=C/c1cc(O)ccc1O,7.707743928643524 | |
| 1122,O=C(Cc1ccccc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1,8.0 | |
| 1123,NNC(N)=O,8.173925197299173 | |
| 1124,NC1=NC(c2ccccc2)Cc2cccc(Cl)c21,8.221848749616356 | |
| 1125,COc1ccc(CNC(=S)SC[C@H](NC(C)=O)C(=O)O)cc1,5.531652669587842 | |
| 1126,COc1ccc(-c2cc3cc(Cl)ccc3oc2=O)cc1,8.317854923626168 | |
| 1127,CCOC(=O)[C@@H](C)NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12,7.2839966563652006 | |
| 1128,C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)cc1)C(F)(F)F,8.795880017344075 | |
| 1129,O=Cc1cccc(C(=O)Sc2cccc(Cl)c2)n1,7.102372908709558 | |
| 1130,O=c1[nH]c2cc(Br)c3c(c2[nH]c1=O)CCCN3,8.045757490560675 | |
| 1131,COc1cc2nc(C)nc(-c3cc(O)cc(O)c3)c2cc1OC,7.628932137728263 | |
| 1132,CC1(C)CC12CCOC2=O,8.943095148663527 | |
| 1133,O=C1Nc2ccc(NCC(O)CCl)c3cccc1c23,6.552841968657781 | |
| 1134,O=C(Nc1ccc(Oc2cc(Br)cc(C(F)(F)F)c2)cc1)c1c(F)cccc1Cl,8.6345120151091 | |
| 1135,CN(C)c1cccc(C(=O)NO)c1,8.802443786846464 | |
| 1136,Cc1sc2nc(-c3ccc(C(=O)O)cc3)[nH]c(=O)c2c1C,8.795880017344075 | |
| 1137,Nc1n[nH]c(N)c1N=Nc1cccc(O)c1,7.251811972993799 | |
| 1138,CNc1c(C(=O)OC)c(C)nc2c1c1ccccc1n2C,7.767003889607846 | |
| 1139,CCn1cnc2ccc3nc(C(=N)OC(C)C)sc3c2c1=O,8.366531544420413 | |
| 1140,CCCC(=O)Nc1n[nH]c2cc(-c3cc(F)cc(F)c3)ccc12,7.860120913598763 | |
| 1141,Cc1cccc(C23SCCN2C(=O)c2ccccc23)n1,8.387216143280265 | |
| 1142,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-],8.065501548756432 | |
| 1143,O=C(O)c1cc2cccc(O)c2oc1=O,7.224680878170522 | |
| 1144,NC(CCCC(=O)O)C(=O)O,7.886056647693163 | |
| 1145,NC(=S)Nc1ccccc1,8.744727494896694 | |
| 1146,CCc1ccc(Br)c(S(=O)(=O)Nc2onc(C)c2C)c1,7.568636235841013 | |
| 1147,Nc1nc(N)c2c(COc3ccc(F)cc3F)cccc2n1,8.698970004336019 | |
| 1148,Cc1cc(=O)c(O)cn1-c1ccc(-n2cncn2)cc1,8.61871430487212 | |
| 1149,Cn1c(N)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1,7.769551078621726 | |
| 1150,Cn1ccc2cc[nH]c2c1=O,7.368556230986828 | |
| 1151,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O,8.387216143280265 | |
| 1152,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnc(Cl)cc1C(F)(F)F,8.0 | |
| 1153,Cc1o[nH]c(=O)c1[C@@H](N)C(=O)O,8.431798275933005 | |
| 1154,NCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O,7.045757490560675 | |
| 1155,O=C(NO)c1cc2cccc(Cl)c2s1,8.536107011014092 | |
| 1156,CCOC(=O)N/N=C/c1ccc(O)cc1,7.366531544420414 | |
| 1157,Cc1nc(-c2ccc(P(=O)(O)O)o2)c(CC(C)C)o1,8.221848749616356 | |
| 1158,O=C(O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl,5.149999867728904 | |
| 1159,N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(=O)O,7.2076083105017466 | |
| 1160,CCOP(=S)(OCC)SCc1ccncc1,7.620694482249418 | |
| 1161,O=C1N=c2ccccc2=C1c1sc(Nc2ccc(O)cc2)nc1O,7.853871964321762 | |
| 1162,CC(=O)OCc1cccc(-n2sc3cc(F)ccc3c2=O)c1,8.638272163982407 | |
| 1163,COc1cc(-c2cc(=O)c3cc(O)ccc3o2)cc(OC)c1OC,7.585026652029182 | |
| 1164,CN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1,8.138943755423126 | |
| 1165,O=C(O)C1CCCNC1,8.221848749616356 | |
| 1166,CS(=O)(=O)c1ccc(S(=O)(=O)n2cc(CC(=O)O)c3ccsc32)cc1,8.397940008672037 | |
| 1167,Cc1[nH]nc2c1N=C(c1ccc([N+](=O)[O-])cc1)CNC2=O,7.515700160653214 | |
| 1168,CCc1nccc2c1[nH]c1ccccc12,6.602019459067794 | |
| 1169,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,8.149999867728903 | |
| 1170,NC(=O)c1cccc2c(NCc3cc(F)c(F)c(F)c3)ncnc12,8.795880017344075 | |
| 1171,c1ccc(-c2cnc(NCc3ccco3)c3cncn23)cc1,8.661543506395395 | |
| 1172,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,7.221848749616356 | |
| 1173,CC(=O)OCC(=O)O,5.958607314841775 | |
| 1174,O=c1cc(N2CCOCC2)oc2c(-c3cccs3)csc12,8.2839966563652 | |
| 1175,O=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccon3)s2)c1,8.199970640755867 | |
| 1176,COc1cccc(N2C(=O)C=CC2=O)c1,8.18045606445813 | |
| 1177,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,8.10790539730952 | |
| 1178,O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1-c1nn[nH]n1,7.698970004336019 | |
| 1179,CN(CCC[C@H](N)C(=O)O)/C(=N/O)NO,6.910094888560602 | |
| 1180,O=C(NCc1ccncc1)Nc1nc(-c2ccncc2)cs1,8.684029654543082 | |
| 1181,O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12,7.865504144165326 | |
| 1182,O=C(O)CNC(=O)C(=O)O,7.322764089573579 | |
| 1183,Cc1ncc(COP(=O)(O)O)c(C2NC(C(=O)O)CS2)c1O,7.136825896339948 | |
| 1184,CC(C)Cc1ccc(C(C)C(=O)O)cc1,6.540578526732223 | |
| 1185,O=C(CCCCCONC(=O)c1cc(Br)cc(Br)c1)NO,8.763210900590707 | |
| 1186,CN1CCCc2[nH]c3ccccc3c2C1,8.148741651280925 | |
| 1187,Oc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,7.920023276367402 | |
| 1188,COc1ccc2oc(C(CN)CC(=O)O)cc2c1,8.2518119729938 | |
| 1189,O=C1NCCc2c1cc(-c1ccncc1)n2CCO,8.481486060122112 | |
| 1190,CSc1nn(-c2ccc(Cl)cc2C)c2nc(C)[nH]c(=O)c12,7.130768280269024 | |
| 1191,O=c1c2cccnc2sn1Cc1ccc(Cl)cc1,8.709965388637482 | |
| 1192,O=C(O)COc1ccc(N=Nc2ccc3cc(Br)ccc3c2O)cc1,7.096910013008056 | |
| 1193,COc1ccc(-c2[nH]c3nccnc3c2CCCCl)cc1,8.522878745280337 | |
| 1194,C=CCN1C(=O)c2cccn2S(=O)(=O)c2ccccc21,8.397940008672037 | |
| 1195,Cc1ncn(-c2ccc(Cl)cc2)c1-c1c(F)ccc(Cl)c1F,7.91721462968355 | |
| 1196,COC(=N)c1cccc(C(=N)OC)n1,6.698970004336019 | |
| 1197,C(#Cc1[nH]nc2ncccc12)c1cccnc1,8.045757490560675 | |
| 1198,N=C(N)N1CCC(C(CS)C(=O)O)CC1,8.508638306165727 | |
| 1199,COc1ccc2cc([C@H](C)NC(=O)NO)ccc2c1,8.148741651280925 | |
| 1200,NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)o2)cc1,7.568636235841013 | |
| 1201,C[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccn1,8.68214551066853 | |
| 1202,O=C(NO)c1cc(OCc2ccc(-c3ccccc3)cc2)no1,8.60467360693065 | |
| 1203,C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O,8.318758762624412 | |
| 1204,O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12,8.01592296609717 | |
| 1205,C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21,7.555955204081924 | |
| 1206,C=CCC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21,8.602059991327963 | |
| 1207,C[C@@H]1Cc2ccc(-c3ncnc4[nH]ccc34)cc2[C@@H]1NC#N,8.7281583934635 | |
| 1208,N#Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,7.527243550682788 | |
| 1209,O=C(O)c1cccc(-n2sc3ccccc3c2=O)c1,8.958607314841775 | |
| 1210,O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CN1CCCCC1,7.42021640338319 | |
| 1211,CCOC(=O)c1sc(SC(C)=O)cc1O,7.6020599913279625 | |
| 1212,O=C(NS(=O)(=O)c1ccccc1)c1cccnc1,7.801342913045577 | |
| 1213,NC(N)=N/N=C/c1cc(Br)ccc1OCc1cccc(C(=O)O)c1,7.408467386694032 | |
| 1214,CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,6.774690718274137 | |
| 1215,CC1CC(=O)NN=C1c1c(C(C)C)nn2ccccc12,7.356547323513812 | |
| 1216,Cn1c(=O)c2c(nc3n2CCN(c2ccccc2)C3)n(C)c1=O,8.0 | |
| 1217,CCCNC1CCCc2nc3ccccc3c(N)c21,7.903089986991944 | |
| 1218,COc1nc2c(N(C)C)ncnc2n1Cc1ccccc1,8.268801388729079 | |
| 1219,CC(=O)c1cc(-c2ccccc2CO)c2cc(C(N)=O)ccn12,8.721246399047171 | |
| 1220,NC(=S)Nc1ccccc1,7.366531544420414 | |
| 1221,O=C(c1c(F)cccc1F)N1CCN(c2nc(Cl)ncc2Br)CC1,8.576754126063193 | |
| 1222,COc1ccccc1C(O)CC(=O)N(C)O,7.075720713938118 | |
| 1223,O=C(CNS(=O)(=O)c1ccc(Oc2ccccc2)nc1)NO,8.455931955649724 | |
| 1224,C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2c(Cl)cccc2Cl)cc1Cl,7.782516055786093 | |
| 1225,c1ccc(CSCCn2ccnc2)cc1,8.397940008672037 | |
| 1226,c1cc(-c2cn(CCC3CC3)c3cnccc23)ccn1,8.943095148663527 | |
| 1227,O=C1c2cc(O)c(O)cc2OCC1c1ccc(O)cc1,8.42021640338319 | |
| 1228,O=C1Nc2cc(Cl)ccc2C(=O)C1C(=O)c1ccccc1,8.500312917381596 | |
| 1229,O=C1c2c(ccc(O)c2O)CN1Cc1cc(F)ccc1F,7.568636235841013 | |
| 1230,CN(C)C(=O)c1cccc2[nH]c(-c3ccncc3)nc12,7.246723429815582 | |
| 1231,CNCc1ccc2c(-c3cccc(C(N)=S)c3)c[nH]c2c1,7.698970004336019 | |
| 1232,FC(F)(F)c1ccc(Nc2cc(C(F)(F)F)nc3ncnn23)cc1,8.769551078621726 | |
| 1233,CN1CC(O)(c2ccccc2)Oc2ccccc21,7.301029995663981 | |
| 1234,Oc1ccc(Cn2cc[nH]c2=S)cc1Cl,8.700000503883016 | |
| 1235,O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1P(=O)(O)O,7.288192770958809 | |
| 1236,O=C(O)c1cccc(COc2ccc(O)cc2)c1,7.443697499232712 | |
| 1237,O=C(O)C1=NN2C(=O)Nc3ccccc3C2C1,7.709965388637482 | |
| 1238,O=C(Cn1c(-c2ccccn2)nc2ccccc21)c1ccc(F)cc1,7.496209316942819 | |
| 1239,Oc1cc2[nH]c3c(O)c(O)ccc3c2cc1O,7.327902142064283 | |
| 1240,CCCOc1ccccc1-c1nc2ncccc2[nH]1,7.958607314841775 | |
| 1241,c1ccn2nc3c(NC4CCCCC4)ncnc3c2c1,8.567709925268005 | |
| 1242,Cc1cccc2[nH]c3c(ncc4[nH]c5ccccc5c43)c12,8.163892030175338 | |
| 1243,O=c1c(Br)c[nH]cc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1,8.42021640338319 | |
| 1244,CC(C)S(=O)(=O)Nc1ccc2nc(N)[nH]c2c1,8.585026652029182 | |
| 1245,O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1Cl,7.705533773838407 | |
| 1246,COc1cc2c3c(c1)C(c1ccccc1)=NCC(=O)N3CC2,7.2839966563652006 | |
| 1247,Nc1nccc(-n2ccc3ccc(Br)cc32)n1,8.086186147616283 | |
| 1248,CCCOc1nc2c(cnn2-c2ccccc2)c(=O)n1C,8.366531544420413 | |
| 1249,CC1(C)C=CC(N)=NC1,7.508638306165727 | |
| 1250,CNCc1ccc(-c2cccnc2)o1,8.789146634685107 | |
| 1251,O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1nc2ccccc2s1,8.050609993355087 | |
| 1252,O=C(O)c1ccnc(-n2[nH]c(-c3ccc(Cl)cc3)cc2=O)c1,9.0 | |
| 1253,c1cc2c(cc1C1=NCCN1)Sc1cc(C3=NCCN3)ccc1O2,8.0 | |
| 1254,Nc1nccn2c(CCCCO)cnc12,7.301029995663981 | |
| 1255,O=[N+]([O-])c1ccc(Sc2ccccc2)c(Cl)c1,8.657577319177793 | |
| 1256,O=C1Cc2c([nH]c3ccc(C(=O)O)cc23)-c2ccccc2N1,7.327902142064283 | |
| 1257,CC(C)c1cc(NS(C)(=O)=O)cc(C(C)C)c1O,6.882728704344236 | |
| 1258,CN(C)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F,7.376068782504467 | |
| 1259,O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,7.657577319177793 | |
| 1260,C[C@@H](C(=O)O)[C@H]1CSC(N)=N1,6.522878745280337 | |
| 1261,O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(F)cc1,7.507239610973162 | |
| 1262,CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1,8.868702203402377 | |
| 1263,Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12,8.928731836586744 | |
| 1264,COc1ccc(/C=C2\SC(c3ccc(O)cc3)=NC2=O)cc1,8.931814138253838 | |
| 1265,CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN,8.200659450546418 | |
| 1266,COc1ccnc(CS(=O)c2nc3ccc(OC(F)(F)C(F)F)cc3[nH]2)c1,7.40000018605658 | |
| 1267,O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)c1ccccc1,8.886056647693163 | |
| 1268,O=C(c1cccc(C(F)(F)F)c1Cl)N1C=Cc2c(ncn2-c2cnccn2)C1,8.38599970540482 | |
| 1269,C=CC[C@@]1(c2cccc(C3(C(F)(F)F)N=N3)c2)C(=O)NC(=O)N(C)C1=O,8.4089353929735 | |
| 1270,COc1cccc(C(=O)Nc2ncnc3nc[nH]c23)c1OC,7.104577453960592 | |
| 1271,CN1CCC[C@H]1COc1cncc(-c2ccc(F)cc2)c1,8.188424994129406 | |
| 1272,CN(C)C(=O)Cn1c(-c2cccc(Cl)c2)nc2cccnc21,8.619788758288394 | |
| 1273,CN(C)CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1,8.638272163982407 | |
| 1274,CNC[C@H]1OCc2ccccc2[C@H]1Oc1ccccc1Cl,8.346787486224656 | |
| 1275,Cc1cc2c(nn1)-c1cc(OCCCC(F)(F)F)ccc1C2=O,8.853871964321762 | |
| 1276,Cc1ccc(-c2ccc(C#N)cc2)n2ncnc12,7.096910013008056 | |
| 1277,O=C(O)[C@@H]1C[C@H](CCCc2nn[nH]n2)CCN1,8.040243327009005 | |
| 1278,N#Cc1nc(Nc2cccc([N+](=O)[O-])c2)nc(N2CCOCC2)n1,7.958607314841775 | |
| 1279,CN(C)S(=O)(=O)c1cc2c(N=O)c(O)[nH]c2c2c1CCCC2,7.568636235841013 | |
| 1280,O=C(NO)c1cccc(C(=O)N/N=C/c2ccccc2)c1,7.698970004336019 | |
| 1281,C[C@@H](c1ccccc1)n1cnc2c(N(C)C)ncnc21,8.67778070526608 | |
| 1282,Brc1c(NC2=NCCN2)ccc2nccnc12,8.359319846722334 | |
| 1283,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1,8.756961951313706 | |
| 1284,O=c1c2c(O)cc(O)cc2[nH]c(=S)n1-c1ccc(O)cc1,7.954246852405859 | |
| 1285,N#Cc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1,8.259637310505756 | |
| 1286,Oc1cc(O)c2c(-c3cc(F)cc(F)c3)c(Br)oc2c1,7.117475462045119 | |
| 1287,C#CCN1CCCC(/C=C/c2cc(F)c(F)cc2F)C1,8.658446777890422 | |
| 1288,C[C@H](CN)n1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21,8.790484985457368 | |
| 1289,CC1=C2c3ccc(O)cc3CC2(C(C)C)CCC1=O,8.847711655616944 | |
| 1290,O=C(NN=C(c1ccccc1)c1ccccc1)Nc1ccncc1,7.733768303310106 | |
| 1291,COC(=O)c1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1,8.031517051446064 | |
| 1292,CCC(C)Sc1nc(Cc2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1,8.920818753952375 | |
| 1293,COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,8.031517051446064 | |
| 1294,CCCc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1,8.886056647693163 | |
| 1295,O=C(O)c1ccc2c(c1)nc(NCCO)c1ccsc12,8.938296265781759 | |
| 1296,CC(=S)Nc1ccccc1,8.387216143280265 | |
| 1297,CN(Cc1ccccc1)Cn1c(=O)oc2ccc(Cl)cc21,7.872895201635193 | |
| 1298,O=C1NC(O)CCN1C1O[C@H](CO)[C@@H](O)[C@H]1F,8.698970004336019 | |
| 1299,O=C(Nc1ccccc1F)[C@H]1C[C@@H]1c1cccc(F)c1,6.6777807052660805 | |
| 1300,O=C1NCCC(c2[nH]c(NCCO)nc2O)=C2C1=Nc1ccsc12,8.769551078621726 | |
| 1301,NC(CF)(CF)c1ncc(-c2ccc(OC(F)(F)F)cc2)[nH]1,7.823908740944319 | |
| 1302,COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC,7.795880017344075 | |
| 1303,C[C@H]1Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2[C@H]1C,8.602059991327963 | |
| 1304,COc1ccc(-c2cc(C=O)c(O)c(OC)c2)cc1F,8.995678626217357 | |
| 1305,O=C(Nc1nccs1)C1C(=O)N2CCCc3cc(F)cc1c32,8.267606240177031 | |
| 1306,COC(=O)c1cccc(C(C)C)c1O,7.403402904373539 | |
| 1307,COC(=O)c1c[nH]c2ncc(-c3ccccn3)cc12,8.619788758288394 | |
| 1308,COc1ccc2nnc3c(C)nc(-c4ccc(F)cc4C)n3c2n1,8.939302159646388 | |
| 1309,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)c(Cl)c1,9.0 | |
| 1310,O=C(O)c1ccc(Nc2nc3sc4c(c3c(=O)s2)CCCC4)cc1,7.667561540084395 | |
| 1311,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12,7.560667306169737 | |
| 1312,O=C(c1cccs1)c1c(O)c2ccc(Cl)cc2[nH]c1=O,8.962573502059376 | |
| 1313,CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(=O)O,7.962573502059376 | |
| 1314,CNC(=O)Cc1coc2cc(OCc3cccc(Cl)c3)ccc12,8.508638306165727 | |
| 1315,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,8.30539480106643 | |
| 1316,Cc1ncc(Cc2csc(CCO)c2C)c(N)n1,6.366531544420414 | |
| 1317,COc1ccc(-c2nn(C3CNC3)c3ncnc(N)c23)cc1O,8.292429823902063 | |
| 1318,CS(=O)(=O)c1ccc(C2=C(c3cc(Cl)c(Cl)c(Cl)c3)C(=O)CC2)cc1,8.602059991327963 | |
| 1319,NC(Cc1ccccc1C(=O)O)C(=O)O,7.096910013008056 | |
| 1320,COc1cccc(-c2ccc(S(=O)(=O)CC(=O)O)cc2)c1,8.397940008672037 | |
| 1321,Nc1nc2ccc(-c3ccc(=O)[nH]c3)cc2s1,8.0 | |
| 1322,Cc1nc(-c2cccc(C(N)=O)c2)n2c1c(C)nc1scnc12,8.525783735923746 | |
| 1323,C#Cc1c(-c2ccccc2)oc2cc(O)c(C(=O)O)cc12,7.200659450546418 | |
| 1324,O=C(NCCCCCS)c1cc(-c2ccc(F)cc2)n[nH]1,8.721246399047171 | |
| 1325,CC(C)C1(C)CCSC1=O,6.853871964321762 | |
| 1326,O=C1c2c(O)cccc2C(SCC(O)CO)c2cccc(O)c21,8.045757490560675 | |
| 1327,O=C1C=C(c2cccc(O)c2)S(=O)(=O)N1,8.869666231504993 | |
| 1328,O=C(O)[C@@H]1C[C@H]2C[C@H](CSc3nn[nH]n3)CC[C@H]2CN1,7.331303540227835 | |
| 1329,O=C(c1[nH]nc2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1,8.540456741719588 | |
| 1330,COC(=O)c1cc2ccccc2cn1,7.87942606879415 | |
| 1331,NCCCNc1nc(-c2ccccc2Br)cc2ncccc12,7.6020599913279625 | |
| 1332,O=C([O-])CC[C@@H](O)C(=O)[O-],5.823908740944319 | |
| 1333,CC(C)(C)OC(=O)Nc1cccc(C2=N[C@H](C(=O)O)CS2)c1,7.130181792020672 | |
| 1334,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,7.018181392829336 | |
| 1335,O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnco2)cc1,7.366531544420414 | |
| 1336,CCN(CC)C(=S)SCC1=CC(=O)c2ccccc2C1=O,8.588380294036769 | |
| 1337,NCc1ccc(-c2ccccc2CN)c(Cl)c1,6.301029995663981 | |
| 1338,O=C(O)c1cc(-c2ccc3ncccc3c2)ccc1O,7.657577319177793 | |
| 1339,CCN1CCc2c1ccc(CC(C)N)c2C,8.1249387366083 | |
| 1340,NC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21,8.096910013008056 | |
| 1341,CCOC(=O)C1Cc2c(sc3ccccc23)CN1,5.824198367151721 | |
| 1342,NC(=O)c1cccc(Cn2ccc3cc(C(=O)NO)ncc32)c1,5.764471553092451 | |
| 1343,O=C(Cn1ccnc1)c1ccc(Cl)c(Cl)c1Cl,8.221848749616356 | |
| 1344,Oc1cccc2c1-c1cncn1C2,8.508638306165727 | |
| 1345,CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,8.67778070526608 | |
| 1346,O=C1NC(=O)c2c1cc(-c1ccccc1)c1[nH]c3ccc(O)cc3c21,8.3952772771409 | |
| 1347,CCC1CCCCC1=O,5.920818753952375 | |
| 1348,CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(F)c1,6.116338564846382 | |
| 1349,COc1ccccc1-c1nnc(Cn2nnc3ccccc32)o1,8.494850021680094 | |
| 1350,CN(C)c1ccc(C(O)CC(=O)NO)cc1,8.146910470148134 | |
| 1351,CN(C)C(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12,7.0 | |
| 1352,CN1C(=O)CN=C(c2ccccc2)c2cc(N)ccc21,5.663000235639472 | |
| 1353,CC(CN1c2ccccc2Sc2ccccc21)N(C)C,8.561615892965285 | |
| 1354,CCN(C)c1ccc(-c2ccc3nc(N)sc3c2)cn1,8.800000874803203 | |
| 1355,COc1ccc2c(c1)C1(CC1CNC(C)=O)C(=O)N2C,8.292429823902063 | |
| 1356,Oc1c(Cl)cc(-c2cc3cccc(O)c3o2)c2cccnc12,8.681936665037238 | |
| 1357,CN(C)CCCNCc1ccc(Cl)c(Cl)c1,5.8297382846050425 | |
| 1358,CC1CCCC(C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],7.349999603463148 | |
| 1359,CC(=O)N1CCOc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21,7.767003889607846 | |
| 1360,CC(C)(C)Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12,7.638272163982407 | |
| 1361,CCc1nccc2c1[nH]c1ccccc12,6.602019459067794 | |
| 1362,O=C(CNC(=O)c1cc2c(cn1)[nH]c1ccccc12)NO,8.209714835966759 | |
| 1363,O=C(O)C(Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccccc1,6.9694002780340485 | |
| 1364,O=C(N/N=C/c1coc2ccccc2c1=O)c1cccnc1,6.7447274948966935 | |
| 1365,O=C(N/N=C/c1ccccc1F)c1cc2ccccc2oc1=O,8.958607314841775 | |
| 1366,CS(=O)(=O)NCCn1nnc(C(=O)O)c1C(=O)O,7.987162775294828 | |
| 1367,O=C(NO)c1ccc(CNc2cccc3ncccc23)cc1,8.998266287190999 | |
| 1368,c1ccc2c(c1)[nH]c1c2ccc2[nH]c3ccccc3c21,8.710001024518515 | |
| 1369,O=C(Nc1cc(F)ccc1F)C1C(=O)N2c3ccccc3Sc3cccc1c32,9.0 | |
| 1370,COc1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,8.920001601921648 | |
| 1371,O=c1cc(C2=CCNCC2)s[nH]1,8.397940008672037 | |
| 1372,CC(C)c1cccc(C(C)C)c1O,7.948076083953893 | |
| 1373,COc1ccc(OC)c(C(O)C(C)N)c1,6.769551078621726 | |
| 1374,CC1(C)N=C(N)N=C(N)N1Cc1ccc(Cl)cc1,7.52432881167557 | |
| 1375,CC(C)Cn1cc(C(=O)C(F)F)cn1,8.459045191073868 | |
| 1376,COc1cccc(/C=C2\SC(=O)N(CCN)C2=O)c1,7.084494638245624 | |
| 1377,O=C(COc1ccc(/C=C/C(=O)C(F)(F)F)cc1)Nc1ccccc1,8.657577319177793 | |
| 1378,Nc1nc(Cl)c2ncn([C@@H]3C[C@H]4C[C@@H](C(=O)O)O[C@H]4C3)c2n1,7.376750709602099 | |
| 1379,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12,8.425968732272281 | |
| 1380,N[C@H](C(=O)O)C(NS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)O,7.989884572889136 | |
| 1381,O=c1[nH]cnc2cnccc12,7.581698708680254 | |
| 1382,Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)nc(-c2ccccc2)n1,7.798602875679548 | |
| 1383,CC(C)(C)n1cnc2c(N)ncnc21,7.991399828238082 | |
| 1384,COc1ccc2nc(/C=C/c3ccccc3)[nH]c(=O)c2c1,8.698970004336019 | |
| 1385,COc1cc2nc(C)nc(-c3cc(O)cc(O)c3)c2cc1OC,8.698970004336019 | |
| 1386,COc1cccc(-c2csc(N/N=C/c3ccco3)n2)c1,8.168770306132936 | |
| 1387,COc1ccc(/C=N/NC(=O)Nc2ccncc2)cc1OC,6.370182803981484 | |
| 1388,COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1OC,8.3767507096021 | |
| 1389,O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2[nH]1,7.247951552180561 | |
| 1390,O=C(OCc1ccccc1)c1ccccc1,7.045757490560675 | |
| 1391,O=C(OC1CCCCC1)c1cccc(=S)[nH]1,7.060480747381382 | |
| 1392,CCn1c2ccccc2c2c(N)c(C(=O)OC)c(C)nc21,8.229147988357855 | |
| 1393,COc1cccc(-c2cc(=O)c3cc(N)ccc3[nH]2)c1,8.060480747381382 | |
| 1394,CCc1ccccc1Nc1cnccc1NS(=O)(=O)C(F)(F)F,8.140261433802854 | |
| 1395,Cc1ccc(-c2nn3c(=O)cc(C(F)(F)F)nc3s2)cc1C,8.756961951313706 | |
| 1396,O=C1NCC=CCN1[C@H]1O[C@H](CO)[C@@H](O)C1(F)F,8.791558643561432 | |
| 1397,C/C=C/c1cncc(-c2ccc(C(C)C(=O)O)cc2)c1,7.809668301829708 | |
| 1398,CC(C)C1(C(C)C)CCSC1=O,7.130768280269024 | |
| 1399,CN1C(=O)CN=C(c2ccccc2F)c2ccccc21,7.376750709602099 | |
| 1400,N#CCNC(=O)/C(C#N)=C/c1ccc(O)cc1,6.204119982655925 | |
| 1401,Cn1cccc1C(=O)NCc1cnc(C(=O)NO)s1,7.920818753952375 | |
| 1402,COc1ccc2cccc(CCNC(=O)CBr)c2c1,8.928117992693874 | |
| 1403,Clc1ccc(-n2cnc(Cl)c2-c2ccccc2)cc1,9.0 | |
| 1404,C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O,8.568636235841012 | |
| 1405,O=C(/C=C/c1ccc(O)c(O)c1)c1cc(O)c(O)cc1Br,7.673459331483438 | |
| 1406,Nc1ccc2oc(N3CCN(c4ccc(F)cc4)CC3)nc2c1,8.840132152907433 | |
| 1407,CS(=O)(=O)Nc1ccc(-c2cc(C(F)F)nn2-c2ccc(Cl)cc2)cc1,7.200659450546418 | |
| 1408,O=Cc1cc2ccccc2s1,8.698970004336019 | |
| 1409,COC(=O)CCCOc1ccc2nc3c(cc2c1)[nH]c(=O)n3C,8.698970004336019 | |
| 1410,CCCC(CCC)C(=O)NO,6.468521082957745 | |
| 1411,Fc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,8.397940008672037 | |
| 1412,COc1cccc(Nc2nc(C#N)nc(N3CCOCC3)n2)c1,8.638272163982407 | |
| 1413,N[C@@H](CCc1nn[nH]n1)C(=O)O,8.7956086680807 | |
| 1414,Oc1cccc2c1CCC1NCCCC21,8.1249387366083 | |
| 1415,CCCC1(c2ccncc2)CCC(=O)NC1=O,8.221848749616356 | |
| 1416,N#Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1,8.327902142064282 | |
| 1417,O=C(NCc1ccc(F)cc1)c1c(O)c(=O)[nH]c2ccccc12,7.721246399047171 | |
| 1418,O=S(=O)(Nc1cc(-c2ccc3nccnc3c2)cnc1Cl)c1ccc(F)cc1,8.838631997765026 | |
| 1419,N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1csc2ccccc12,8.468521082957745 | |
| 1420,CN(C)c1ncnc2c1ncn2Cc1ccccc1Cl,7.8880237729807945 | |
| 1421,Nc1ccccc1-c1nnc(C(=O)NCc2csc(-c3cccs3)n2)o1,8.698970004336019 | |
| 1422,O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1cnc[nH]1,8.0268721464003 | |
| 1423,CN1CCC[C@H]1COC(=O)c1cccc([N+](=O)[O-])c1,8.792904459580782 | |
| 1424,N#Cc1ccc(Nc2nc(N)c(C(=O)c3cccnc3)s2)cc1,8.55284196865778 | |
| 1425,N[C@H](Cc1o[nH]c(=O)c1Br)C(=O)O,7.494850021680094 | |
| 1426,CCCN(c1ccncc1)n1cc(C)c2ccccc21,7.5376020021010435 | |
| 1427,Oc1ccccc1/C=C/c1cc(O)c(F)c(O)c1,6.017728766960431 | |
| 1428,CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,8.800000874803203 | |
| 1429,Nc1nc(Nc2ccccc2)nc2nc[nH]c12,8.0 | |
| 1430,Nc1scc2c1c(Nc1ccc(S(N)(=O)=O)cc1)nc1ncnc(N)c12,7.440093374963888 | |
| 1431,Oc1cccc(-c2ccc3ccccc3c2)c1,8.646468440922238 | |
| 1432,O=c1oc2ccc(-c3ccc(F)cc3F)cc2c(=O)n1-c1cc(F)ccc1F,8.365522729839268 | |
| 1433,O=C1CNCC2=C1C(c1ccccc1F)c1cn[nH]c1N2,8.008773924307505 | |
| 1434,O=C(c1ccccc1O)c1coc2ccc(O)cc12,7.146301788223826 | |
| 1435,Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1,6.22767829327708 | |
| 1436,N#Cc1ccc(Cn2cc(COc3ccc([N+](=O)[O-])cc3)nn2)cc1,8.250263684430939 | |
| 1437,CCCC(CCC)C(=O)NCCSS(C)(=O)=O,7.756961951313706 | |
| 1438,CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1,7.995678626217358 | |
| 1439,N[C@@H](C[C@@H](CO)C(=O)O)C(=O)O,6.511288567880362 | |
| 1440,CN(C)c1ccc(-n2cc(Cn3cccc(O)c3=S)nn2)cc1,8.728623128105925 | |
| 1441,Cc1c(Cl)cc2c(c1C)O[C@@H](C(F)(F)F)C(C(=O)O)=C2,7.0 | |
| 1442,Cc1cccc2c(C)cccc12,7.376750709602099 | |
| 1443,O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1,8.148741651280925 | |
| 1444,OCc1cc2c(cn1)[nH]c1ccccc12,8.832682665251824 | |
| 1445,CC1C(C#N)=C(N)OC2=C1C(=O)CC(c1ccccc1)C2,8.037723311071346 | |
| 1446,Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12,7.343901797987168 | |
| 1447,Oc1ccccc1Cc1ccccc1O,7.0 | |
| 1448,CCCC(=O)n1nc(C(=O)OCC)c2ccccc21,7.853871964321762 | |
| 1449,CC1(CC(=O)O)CSC(N)=N1,6.522878745280337 | |
| 1450,CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO,8.0 | |
| 1451,CCCNc1cnn(C2CCCCC2)c(=O)c1Cl,8.0 | |
| 1452,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,8.508078287413849 | |
| 1453,CN(C)CCN(Cc1cccs1)c1ccccn1,8.856672870007953 | |
| 1454,CNCc1ccc(-c2cccc(Cl)c2)c(Cl)c1,6.301029995663981 | |
| 1455,O=C(CNc1ccc(Cl)cc1Cl)NO,7.179798540514359 | |
| 1456,O=C(O)CCC(=O)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1,8.008773924307505 | |
| 1457,Cn1c2ccccc2c2c3[nH]c4ccccc4c3ncc21,8.934209350793385 | |
| 1458,COc1ccc(Nc2nc(-c3ccccc3F)no2)cc1,8.958607314841775 | |
| 1459,CCn1cc(C(=O)O)c(=O)c2c1C(=O)C=C(Nc1cccc(Cl)c1F)C2=O,8.013228265733755 | |
| 1460,O=C(N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O)c1ccccc1Br,7.546681659952962 | |
| 1461,C#Cc1ccc(NC(=O)OCCC(C)(C)C)cc1,7.464705879957229 | |
| 1462,Oc1ccc(-c2ccc(-c3cccc(O)c3)cc2)cc1,8.345919764693429 | |
| 1463,CC(C)OC(=O)/C=C\c1nc(-c2cccc(F)c2)n[nH]1,9.0 | |
| 1464,COc1cc(/C=C2\SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1[N+](=O)[O-],8.958607314841775 | |
| 1465,CS/C(=C/C(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2s1,7.691862621361961 | |
| 1466,O=C(CCCc1ccccc1)Oc1ccc(-c2cssc2=S)cc1,6.746177561291927 | |
| 1467,Cc1cc(S(=O)(=O)Nc2nc3scc(C)c3c(=O)n2N)c(S)cc1Cl,7.0915149811213505 | |
| 1468,O=S(=O)(Nc1ccncc1Oc1ccc(Cl)cc1)C(F)(F)F,8.8153085691824 | |
| 1469,O=C(CO[C@@H](CO)c1ccc(C#Cc2ccccc2)cc1)NO,7.500312917381596 | |
| 1470,CCOC(=O)c1sc(-c2ccncc2)nc1-c1ccccc1O,8.492144128304169 | |
| 1471,Oc1ccc(CCc2cccc(Br)c2)c(O)c1O,7.2839966563652006 | |
| 1472,CC(C)c1cc(N(C)C)cc(C(C)C)c1O,8.244125144327509 | |
| 1473,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,5.689306687656639 | |
| 1474,Cc1nc2c(N)ncnc2n1-c1ccccc1,7.785156151952302 | |
| 1475,COCCOc1ccc(-c2ccc3nc(N)sc3c2)cn1,8.499999678657066 | |
| 1476,COc1ccc(N2CC=C(c3cccc([N+](=O)[O-])c3)NC2=O)cc1,7.3979400086720375 | |
| 1477,COc1ccc(O)c(C(=O)c2coc3ccc(O)cc23)c1,7.345823458122039 | |
| 1478,Cc1cnc2c(C(=O)NC(C)c3ccccc3)cnn2c1,7.552841968657781 | |
| 1479,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,6.76598918241282 | |
| 1480,COc1ccc2cc(O)c(C(=O)Nc3ncc(Cl)s3)cc2c1,7.229147988357855 | |
| 1481,O=C(O)[C@@H]1CCNC[C@@H]1O,7.920818753952375 | |
| 1482,O=C(O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1,7.0 | |
| 1483,CCCn1cnc2c1c1nccn1c(=O)n2CCC,7.853871964321762 | |
| 1484,Cc1cc(C)c2[nH]ccc2c1NC1=NCCN1,8.18045606445813 | |
| 1485,CCNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1,7.431798275933005 | |
| 1486,O=c1c(Cc2ccc(O)cc2)coc2cc(O)ccc12,7.218316415492649 | |
| 1487,CC1(C)CC2=NCCN2C1,7.266000713461613 | |
| 1488,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,8.823908740944319 | |
| 1489,O=C(O)CNc1cc(Cl)cc(Cl)c1,7.309803919971486 | |
| 1490,Nc1nc(N)c2c(CCCc3ccccc3)c[nH]c2n1,8.067744959692892 | |
| 1491,CC(C)CC(Cc1ccccc1Br)C(=O)NCC#N,8.628562682595899 | |
| 1492,c1ccc(Cn2cnc(-c3cccnc3)c2)cc1,7.570247719997592 | |
| 1493,N#Cc1ccccc1SC1=C(O)CC(c2ccccc2Cl)CC1=O,8.18045606445813 | |
| 1494,Cc1[nH]nc2c1N=C(c1ccc([N+](=O)[O-])cc1)CNC2=O,7.515700160653214 | |
| 1495,Cn1cc(C(=O)/C=C/c2ccccc2)cc1/C=C/C(=O)NO,9.0 | |
| 1496,CN(C)c1ccc(/C=C/c2ccc(C(=O)NO)o2)cc1,7.306273051076353 | |
| 1497,Nc1nc(N)c2nc(Nc3ccccc3)ccc2n1,8.816445466381138 | |
| 1498,Fc1cccc(Nc2nc(Cl)nc3nc[nH]c23)c1,8.1249387366083 | |
| 1499,CCCCOc1ccc(-c2ccn[nH]2)cc1,7.151195298948196 | |
| 1500,O=C(NCc1ccccc1)c1ccccc1-c1ccccc1,8.1249387366083 | |
| 1501,Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O,7.769551078621726 | |
| 1502,NC1=N[C@@]2(c3cc(F)ccc3F)CO[C@@H](C3CC3)C[C@H]2CS1,8.847711655616944 | |
| 1503,NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1,8.568636235841012 | |
| 1504,O=C(Nc1ccccc1)c1cc2cc(Br)ccc2oc1=O,7.619788758288394 | |
| 1505,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,7.679978409630407 | |
| 1506,CSc1ccccc1-c1nc(SCC(=O)O)n[nH]1,7.130181792020672 | |
| 1507,COc1cccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)c1,7.296708621881338 | |
| 1508,O=C(c1coc(-c2ccc(Cl)cc2)n1)n1cccn1,8.275724130399212 | |
| 1509,CCCN1CCOC(c2cccc(OC)c2)C1,9.0 | |
| 1510,O=C(c1ccccc1)c1ccc(OC(=O)C2CC2)cc1,8.853871964321762 | |
| 1511,COc1ccc(CNC(=S)P(=O)(O)C(C)N)cc1,8.950781977329818 | |
| 1512,C[C@H](Nc1ncc(C(=O)NO)cn1)c1ccccc1,8.269823575836519 | |
| 1513,O=C(c1ccc(-c2ccc(F)cc2)cc1)c1cc(=O)n(O)c(=O)[nH]1,8.173925197299173 | |
| 1514,CCc1ccc(Cc2cnc(N)nc2N)cc1CC,6.920818753952375 | |
| 1515,CCNc1ncnc2c1ncn2Cc1ccccc1,7.721246399047171 | |
| 1516,CC(C)n1nc(-c2cc3cc(C=O)ccc3s2)c2c(N)ncnc21,8.785156151952302 | |
| 1517,Cc1nc2cccc(/C=C/C(=O)NO)c2c(=O)n1-c1ccccc1,8.71669877129645 | |
| 1518,O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl,8.481486060122112 | |
| 1519,O=[N+]([O-])c1ccc(/C=C/c2cc(O)cc(O)c2)cc1,8.657577319177793 | |
| 1520,N#Cc1cc(C23CO[C@@H](CO)C[C@H]2CSC(N)=N3)c(F)cc1F,8.255707016877324 | |
| 1521,CCCCN1CC(O)C(O)C(O)C1,6.275724130399211 | |
| 1522,Cc1cn(C2CC(O)C(OP(=O)(O)O)O2)c(=O)[nH]c1=O,8.568636235841012 | |
| 1523,Cc1ccc(C2N(C)Cc3cc(O)ccc3N2C)cc1,7.645891560852599 | |
| 1524,Nc1nc2c(c(=O)[nH]1)-c1cc(O)ccc1CC2,8.075720713938118 | |
| 1525,Cn1cnc2cc(NCc3ccco3)ccc21,8.6903698325741 | |
| 1526,Cc1cc(/C=C2/CCNC2)on1,8.482804102050025 | |
| 1527,NC(Cc1ccnn1O)C(=O)O,6.366531544420414 | |
| 1528,O=C(Nc1ccccc1Br)c1ccc(N(CCCl)CCCl)cc1,8.002176919254275 | |
| 1529,CNC(=O)C(=O)c1c(O)c(=O)[nH]c2cc(Cl)cc(Cl)c12,8.42021640338319 | |
| 1530,OC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H]1O,7.1938200260161125 | |
| 1531,Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl,8.136677139879543 | |
| 1532,Brc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1,7.617982957425132 | |
| 1533,Cc1cnccc1NC(=O)C1=C(O)CCn2c1nc1ccccc12,8.019996628416253 | |
| 1534,O=C(Cc1nc(-c2ccc(Cl)cc2)cs1)NCc1ccccc1,5.97469413473523 | |
| 1535,O=C(CN1CCCCC1)Nc1cc(C(F)(F)F)cc2c1SSSSS2,8.892790030352131 | |
| 1536,COc1cc2ncc3cnc4ccccc4c3c2cc1OC,8.127843727251706 | |
| 1537,O=C(/C=C/c1ccco1)c1ccc(F)cc1,8.115204636051018 | |
| 1538,O=S(=O)(Nc1ccccc1F)c1ccccc1C(F)(F)F,8.442492798094342 | |
| 1539,O=C1CN2Cc3cc(OCCn4ccnc4)ccc3N=C2N1,8.698970004336019 | |
| 1540,Nc1n[nH]c(N)c1N=Nc1ccccc1O,8.602059991327963 | |
| 1541,O=C(Cc1ccccc1)Nc1ccc2nc[nH]c2c1,7.045757490560675 | |
| 1542,O=C(Nc1ccc(F)cc1F)C1C(=O)N2CCCc3cc(F)cc1c32,8.522878745280337 | |
| 1543,N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1ccc(C(=O)O)cc1,8.721246399047171 | |
| 1544,CC(=O)c1sccc1NC(=O)c1ccccc1C(=O)O,6.5376020021010435 | |
| 1545,Cc1cc2ccnc(NC3CCNCC3)c2[nH]c1=O,7.847129418623137 | |
| 1546,O=[N+]([O-])/C=C/c1cccc(OCc2cccc(Cl)c2)c1,8.453457336521868 | |
| 1547,O=C(O)c1cc(S(=O)(=O)O)ccc1O,6.5376020021010435 | |
| 1548,NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1ccc(CCC(=O)O)o1,8.229147988357855 | |
| 1549,N[C@@H](CC(=O)N1CCSC1)Cc1ccc(F)c(F)c1,7.4699284311626215 | |
| 1550,CCn1c(=O)sn(C(C)C)c1=O,7.455931955649724 | |
| 1551,Nc1nc2c(c(=O)[nH]1)N=C(Cc1ccccc1)CO2,7.552841968657781 | |
| 1552,N#Cc1ccc2c(c1)[nH]c1ncnc(N3CCOC(CN)C3)c12,8.0 | |
| 1553,O=C(NCCO)c1cnc2c3c(cccc13)-c1ccccc1C2=O,7.744968836654449 | |
| 1554,O=C1NC(=S)S/C1=C\C1CCCCC1,7.292429823902063 | |
| 1555,NCCCSCCCN,7.080921907623926 | |
| 1556,COn1c(-c2ccccc2)c(CO)c2cc(C#N)c(C#N)cc21,8.30189945437661 | |
| 1557,Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl,8.4089353929735 | |
| 1558,CCC1Oc2c(Cl)cc(Cl)cc2C2CC(C)=NN2C1=O,8.330683119433887 | |
| 1559,C=CCNC(=O)N1N=C(OS(C)(=O)=O)CC1(C)C,6.826813731587726 | |
| 1560,O=C(CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1)NO,8.80799040734633 | |
| 1561,CCCc1cc(-c2nc(-c3ccc(OC)cc3)cs2)ccn1,7.886056647693163 | |
| 1562,Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)cc2)n1,7.396855627379818 | |
| 1563,NN1C(=O)c2c(-c3ccccc3)cc3[nH]c4ccc(O)cc4c3c2C1=O,8.236572006437063 | |
| 1564,CN(c1ccncc1)n1ccc2cc(Br)ccc21,8.449771646944907 | |
| 1565,N#CCc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1,7.5718652059712115 | |
| 1566,CC(C)(C)NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1,7.7447274948966935 | |
| 1567,CC(C)C1C(=O)N(O)C(=O)c2ccccc21,7.449771646944906 | |
| 1568,Cc1sc2nc(-c3cc(O)ccc3O)[nH]c(=O)c2c1C,8.031517051446064 | |
| 1569,CC(C)(C)c1ccc(-c2nc(C(N)=O)c(N)o2)cc1,8.200659450546418 | |
| 1570,NCc1cc(Br)ccc1OCc1ccc(Cl)cc1,8.769775948089478 | |
| 1571,O=C(O)Cc1nn(Cc2cc3cc(Br)ccc3s2)c(=O)c2ccccc12,9.0 | |
| 1572,COc1ccc2c(c1)CNc1c(Nc3ccc(Cl)cc3)ncnc1O2,8.236572006437063 | |
| 1573,COc1ccc(-c2ccc(O)cc2)cc1,8.619788758288394 | |
| 1574,COC(=O)Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21,8.301029995663981 | |
| 1575,Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2[C@H]1CCNC1,7.0 | |
| 1576,Cc1ccc2c(C(=O)O)c(O)c(-c3ccc(Cl)cc3)nc2c1C,9.0 | |
| 1577,N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)s1)c1nc2ccccc2s1,8.24184537803261 | |
| 1578,CSc1nc(O)c(/C=C2\C=Nc3ccc(Br)cc32)[nH]1,8.057991946977687 | |
| 1579,Nc1ccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cn1,7.863279432843593 | |
| 1580,NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc1,7.995678626217358 | |
| 1581,C/C(=C\c1ccc(O)cc1)c1cc(O)cc(O)c1,8.721246399047171 | |
| 1582,O=c1ssc(=O)n1-c1ccccc1,7.920818753952375 | |
| 1583,N#CCCNCCCCCCCN=C(N)N,7.017728766960431 | |
| 1584,CN(C)c1ncnc2c1nc(Br)n2Cc1ccccc1,8.521917124581742 | |
| 1585,Cc1ccnc2[nH]c(-c3ccc(Cl)cc3)cc(=O)c12,8.318758762624412 | |
| 1586,O=C(NO)c1cccc(NC2CCCCC2)c1,8.440046717732498 | |
| 1587,Clc1ccc(CNc2cc(-c3ccc4c(c3)OCO4)ncn2)cc1,8.034798298974088 | |
| 1588,NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12,8.022276394711152 | |
| 1589,N[C@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21,7.204815410317576 | |
| 1590,O=C(/C=C/c1cccnc1)c1cccc2ccccc12,8.221848749616356 | |
| 1591,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1-c1cccs1,8.008773924307505 | |
| 1592,CCc1nnc2c(NC(C)C)nc3ccc(Cl)cc3n12,8.698970004336019 | |
| 1593,CCO[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O,7.301029995663981 | |
| 1594,O=C1NCCOC1Cc1cccc(C(F)(F)F)c1,8.187086643357144 | |
| 1595,CN[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)c2ccccc21,8.782516055786093 | |
| 1596,O=C1CC2CCc3nn4ccccc4c3C2=NN1,8.154901959985743 | |
| 1597,Oc1cc2ccccc2cc1Cc1ccccc1,7.455931955649724 | |
| 1598,CS(=O)(=O)Nc1cc(-c2cnc(N)nc2)cnc1Cl,8.800000874803203 | |
| 1599,O=C(/C=C/c1ccccc1)N/N=C/c1ccccc1O,7.282329496997738 | |
| 1600,COc1ccc2c(CN(C)C)cc(=O)oc2c1,7.129596094720973 | |
| 1601,O=C(O)C(=O)c1c(O)c(=O)[nH]c2ccccc12,8.744727494896694 | |
| 1602,CC[C@H]1NC[C@H](O)[C@@H]1O,6.045757490560675 | |
| 1603,FC1CCc2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc21,8.537602002101044 | |
| 1604,N#Cc1ccc(-c2cc(NC(=O)[C@H]3CN(C#N)CCO3)ncn2)cc1,9.0 | |
| 1605,O=c1[nH]c2c(O)cccc2n1-c1nc2ccccc2[nH]1,7.6777807052660805 | |
| 1606,O=C1NC(=S)N/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1,7.489454989793388 | |
| 1607,O=S(=O)(c1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21,6.6020599913279625 | |
| 1608,Cc1[nH]ncc1-c1cc2nc(CN3CC[C@H](F)C3)[nH]c(=O)c2s1,8.346787486224656 | |
| 1609,Cn1cc(NC(=O)c2cccc(-c3ccnc(N)c3)n2)c(C(N)=O)n1,7.6020599913279625 | |
| 1610,N#CC1=Cc2ccccc2CC=C1,8.238824186844269 | |
| 1611,O[C@H]1CCOc2ccccc21,6.285670240254767 | |
| 1612,CN(c1ccccc1)c1nc(Cl)nc2ccccc12,8.397940008672037 | |
| 1613,O=C(O)c1cc2ccc([N+](=O)[O-])cc2[nH]c1=O,8.886056647693163 | |
| 1614,COc1cccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c12,8.638272163982407 | |
| 1615,CC(c1cccc(O)c1)n1cnc2c(=O)[nH]cnc21,8.657577319177793 | |
| 1616,COc1cc2ccc(=O)oc2cc1O,6.773142429711276 | |
| 1617,CCCCc1sc(-c2ccccc2)nc1O,7.7447274948966935 | |
| 1618,N#Cc1ccccc1-c1ccc(CNc2ccc(O)cc2)cc1,7.461175011062096 | |
| 1619,CCCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21,8.899629454882437 | |
| 1620,Nc1nc(N)c2cc(COC(=O)c3ccc(C(=O)O)cc3)ccc2n1,9.0 | |
| 1621,O=C(N/N=C/c1ccccc1O)Nc1ccncc1,6.609418121449565 | |
| 1622,CC(C)n1nc(-c2ccc3c(c2)OCCO3)c2c(N)ncnc21,8.657577319177793 | |
| 1623,Oc1cccc(Nc2ncnc3ccc(-c4ccccc4)cc23)c1,8.178028182357957 | |
| 1624,O=C(CCCCCCC(=O)Nc1ccccc1)NO,8.211124884224583 | |
| 1625,CS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(Cl)cc2)cc1,7.494850021680094 | |
| 1626,O=c1c2cccnc2ncn1Cc1nnc(CCc2ccc(Cl)cc2)o1,8.661543506395395 | |
| 1627,c1ccc(CNc2nc(-c3ccncc3)nc3ccsc23)cc1,8.769551078621726 | |
| 1628,O=S(=O)(Nc1ccc(-c2nnco2)cc1)c1cc(Cl)cc(Cl)c1,8.61261017366127 | |
| 1629,O=C1NC(=O)C2C=CNC2N1,7.518557371497695 | |
| 1630,Oc1ccc(/C=N/NC(=S)Nc2cccc(O)c2)cc1,7.544000082581728 | |
| 1631,[N-]=[N+]=Nc1ccc(C(N)=NCCCC(=O)O)cc1,8.045757490560675 | |
| 1632,Nc1ncc(NCc2cccc3ccccc23)c(N)n1,8.229147988357855 | |
| 1633,CNC(=O)C(=O)c1c(O)c(=O)[nH]c2cc(Cl)cc(Cl)c12,8.42021640338319 | |
| 1634,Oc1ccc(-c2csc(Nc3ccccc3O)n2)c(O)c1,7.698970004336019 | |
| 1635,O=c1[nH]c(/C=C/c2ccccc2)nc2ccccc12,7.958607314841775 | |
| 1636,O=C(CNc1ccccc1)N/N=C/c1ccncc1,8.744727494896694 | |
| 1637,COC[C@H]1[C@H](C(=O)O)[C@@H]1[C@H](N)C(=O)O,8.397940008672037 | |
| 1638,CC(=O)N1CCc2c(c(=O)[nH]c3onc(C)c23)C1,8.85078088734462 | |
| 1639,O=C(/C=C/c1cccs1)c1cc(O)c(O)c([N+](=O)[O-])c1,7.201349354554731 | |
| 1640,Cc1cc2ccnc(NCCCN(C)C)c2[nH]c1=O,7.200000237109354 | |
| 1641,Cn1c(=O)[nH]c2ccc(OCc3ccc(Cl)cc3)cc21,7.248720896016658 | |
| 1642,Nc1ncnc2c1nc(-c1ccccc1)n2-c1ccccc1,7.785156151952302 | |
| 1643,COc1ccnc(CCc2nc3nc(OC)ccc3[nH]2)c1,7.0 | |
| 1644,Cc1ccc2nc(/C=C/c3ccccc3)[nH]c(=O)c2c1,8.698970004336019 | |
| 1645,NC(=O)c1cc2c(Sc3ccccn3)cncc2s1,7.187086643357144 | |
| 1646,CCOC(=O)COc1cc(C(=O)O)c(O)c2ccccc12,7.031517051446065 | |
| 1647,Cc1nnc(C(CC(=O)O)c2cccc(-c3ccncc3)c2)o1,7.6595558851598815 | |
| 1648,Cc1ccncc1-c1ncc(Cl)cc1-c1ccc(S(C)(=O)=O)cc1,8.753255290276158 | |
| 1649,O=C(O)c1cnn(-c2ccc(COCc3cccc(Cl)c3)cn2)c1,8.769551078621726 | |
| 1650,CC(NC(C)(C)C)C(=O)c1cccc(Br)c1,8.21824462534753 | |
| 1651,CC(C)[C@H](N)C(=O)NCC(=O)O,5.95999928552668 | |
| 1652,CC(NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12)C(=O)O,7.397831448621003 | |
| 1653,CCOC(=O)c1sc(-c2ccnc(N)c2)nc1-c1ccccc1,7.701146923590294 | |
| 1654,S=C(Nc1ccccc1)OC(Cn1ccnc1)c1ccc(Cl)cc1Cl,8.443697499232712 | |
| 1655,Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cnccn3)N2)cc1,8.468521082957745 | |
| 1656,Cc1ccc(-c2nn(C)c3ncnc(N)c23)cc1O,7.721246399047171 | |
| 1657,O=S(=O)(Nc1ccncc1NC1CCCCCC1)C(F)(F)F,8.790484985457368 | |
| 1658,COc1cccc2c1CCC1C(c3ccncc3)C21,8.474955192963154 | |
| 1659,COc1cccc(-c2cc3nccnc3[nH]2)c1,8.497417217441038 | |
| 1660,CCOC(=O)c1c(N)sc(-c2ccc(OC)cc2)c1C,8.065501548756432 | |
| 1661,CCOC(=O)c1cc2cc(C(N)=O)ccc2[nH]1,7.4089353929735005 | |
| 1662,N=C(COS(=O)(=O)[O-])C(=O)[O-],6.3585258894959 | |
| 1663,Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,7.40000018605658 | |
| 1664,O=C(O)C1CN(c2cccc(P(=O)(O)O)c2)CCN1,7.080921907623926 | |
| 1665,O=C(O)[C@H]1C[C@@H]1c1nc2sc3c(c2c(=O)[nH]1)CCC3,8.187437059891643 | |
| 1666,O=C1CC(c2ccc(O)cc2O)Oc2cc(O)ccc21,7.248720896016658 | |
| 1667,COC(=O)C1NCCc2c1[nH]c1ccc(OC)cc21,7.327902142064283 | |
| 1668,Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1CNC1,8.939302159646388 | |
| 1669,OCc1cc2c(cn1)[nH]c1ccccc12,8.832682665251824 | |
| 1670,O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12,7.9446216686249995 | |
| 1671,Nc1nc(OCCc2ccccc2)c2[nH]cnc2n1,7.187086643357144 | |
| 1672,Oc1c(Cc2ccccc2)cccc1Cc1ccccc1,7.2839966563652006 | |
| 1673,CC(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1,8.698970004336019 | |
| 1674,O=Cc1cccc(OCc2ccccc2)c1,8.707743928643524 | |
| 1675,COc1ccc(F)c(-c2nc(C)c3nnc4ccc(OC)nc4n23)c1,8.31695296176115 | |
| 1676,CNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1,8.207608310501746 | |
| 1677,CC(CCn1cnc2ccc(Cl)cc2c1=O)n1ccnc1,8.096910013008056 | |
| 1678,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,6.795880017344075 | |
| 1679,CC(C(=O)N(C)O)c1ccc2c(c1)C(=O)c1ccccc1CO2,8.886056647693163 | |
| 1680,O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1,8.823908740944319 | |
| 1681,Cc1cc(N2CCCCC2)nc2ccccc12,8.749579997691106 | |
| 1682,O=C(OCCCCOc1ccccc1)c1cccc(=S)[nH]1,7.107905397309519 | |
| 1683,Nc1nccc(-n2ccc3ccc(F)cc32)n1,7.468521082957745 | |
| 1684,COc1ccc2ncc(-c3ccc(C(F)(F)F)cc3)n2n1,8.55284196865778 | |
| 1685,N#Cc1c[nH]c2cc(OCc3ccccc3)ccc12,7.1438755557577 | |
| 1686,O=c1cc(S)n([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1,5.774690718274137 | |
| 1687,C=Cc1cccn1N(C)c1ccncc1,7.872895201635193 | |
| 1688,COc1cccc(C(=O)Nc2nc(C)cs2)c1,8.040958607678906 | |
| 1689,COc1ccc(S(=O)(=O)CCC(C)S)cc1,8.096910013008056 | |
| 1690,COc1cc(Br)cc2[nH]cc(-c3cnc(-c4ccc[nH]4)o3)c12,8.431798275933005 | |
| 1691,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,7.620042170655299 | |
| 1692,Nc1ccc(-c2cc(=O)c3cc(N)c(O)c(N)c3o2)cc1,6.122628654130226 | |
| 1693,CCCNC(=O)[C@@H]1C[C@H]1[C@]12COC[C@H]1CSC(N)=N2,7.609064892896621 | |
| 1694,O=c1cc(-c2ccc(F)cc2)oc2ccc3ccccc3c12,7.9051796196452 | |
| 1695,O=C(O)Cc1ccccc1Nc1c(Cl)ccc(O)c1Cl,4.0 | |
| 1696,Cc1cc(N=Nc2ccc3c(c2)CCC(=O)N3)c(N)cc1O,8.89636729479026 | |
| 1697,Cc1cccc([N+](=O)[O-])c1N=Cc1coc2ccccc2c1=O,6.318568800339801 | |
| 1698,c1ccc(-c2ccccc2OCC2=NCCN2)nc1,8.689999562814496 | |
| 1699,CCOC(=O)CCn1cc(C(C)=O)c2ccccc21,7.402853512166304 | |
| 1700,N#Cc1cnc(Nc2ccccc2)nc1-c1ccccc1,9.0 | |
| 1701,Clc1ccc(SSc2nccs2)cc1,8.987765543582988 | |
| 1702,O=C1/C(=C/c2ccccn2)CNC/C1=C\c1ccccn1,8.823908740944319 | |
| 1703,c1ccc(CNc2nc(-c3cccnc3)nc3ccsc23)cc1,7.853871964321762 | |
| 1704,O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Cl,8.397940008672037 | |
| 1705,NC(=O)c1n[nH]nc1-n1nnc2cc(C(F)(F)F)ccc21,7.430000267796054 | |
| 1706,Cc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1,7.730487055782084 | |
| 1707,COC(=O)c1cc2[nH]c(=O)c(=O)[nH]c2c2c1CN(C)CC2,7.356547323513812 | |
| 1708,Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)C(C)CO1,8.886056647693163 | |
| 1709,Cc1nc(N[C@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N,7.714442690992226 | |
| 1710,COC(c1ccccc1)C1OC1c1ccccc1,7.468521082957745 | |
| 1711,O=C(O)/C=C/c1ccc(O)c(O)c1,7.045757490560675 | |
| 1712,CCOC(=O)c1cc2c(cn1)sc1ccccc12,8.818407918514174 | |
| 1713,COc1cc2c(cc1OC)C(=O)C(C(=O)c1ccc(Br)cc1)C2,7.346787486224656 | |
| 1714,Fc1ccc(Br)c(F)c1[C@@H]1C[C@H](c2cccc(Br)c2)Nc2nnnn21,7.651695136951839 | |
| 1715,COc1ccc(-c2nc3c(c(=O)[nH]2)COCC3)cc1,8.296708621881338 | |
| 1716,CCc1cccc(NC(P(=O)(O)O)P(=O)(O)O)n1,7.259637310505756 | |
| 1717,O=C(NCc1ccc(F)cc1)c1c(O)c(=O)[nH]c2ccc(Cl)cc12,7.7447274948966935 | |
| 1718,Oc1cc2[nH]c3c(O)c(O)cc(Br)c3c2cc1O,7.769551078621726 | |
| 1719,Cc1cc(C=O)cc(C)c1OP(=O)(O)O,5.301029995663981 | |
| 1720,Nc1ccc(Cl)cc1-c1cnc2ccc(Cl)nn12,9.0 | |
| 1721,COc1cc(C=O)ccc1O,7.806875401645538 | |
| 1722,CC(C(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1,8.0 | |
| 1723,N#Cc1cccc(Nc2ncnc3ccc(F)cc23)c1,8.863279432843592 | |
| 1724,C#CCOC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O,8.045757490560675 | |
| 1725,Cc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1,8.1249387366083 | |
| 1726,Cc1cccc(-c2[nH]nc3ncnc(N)c23)c1,8.244125144327509 | |
| 1727,CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1,7.7594507517174005 | |
| 1728,O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,7.443697499232712 | |
| 1729,c1ccc2cc(-c3ccnn3-c3ccncc3)ccc2c1,7.377785977033705 | |
| 1730,Cc1sc(N=C(N)N)nc1-c1c[nH]c2ccccc12,8.119186407719209 | |
| 1731,O=C(O)c1ccnc(-n2nccc2CCc2ccccc2)c1,9.0 | |
| 1732,O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1,7.3979400086720375 | |
| 1733,C[C@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O,8.712198270069774 | |
| 1734,COc1ccc2nc(-c3ccccc3)c(=O)n(CC(=O)O)c2c1,8.27523275435369 | |
| 1735,Brc1ccc2[nH]ncc2c1,7.431798275933005 | |
| 1736,O=c1nc(N2CCOCC2)cc(NCc2cccc(Cl)c2Cl)[nH]1,7.0 | |
| 1737,Cc1cccc(N2C(=O)C=CC2=O)c1,8.560667306169737 | |
| 1738,O=C(CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1)NO,8.80799040734633 | |
| 1739,CC(C)n1nc(-c2ccc(C(N)=O)c(Cl)c2)c2c(N)ncnc21,8.508638306165727 | |
| 1740,CC(C)OC(=O)/C=C/Cn1cnc(-c2cccc(Cl)c2)n1,9.0 | |
| 1741,CC(C)(C)c1cc(OC(=O)c2ccc(Cl)cc2Cl)ccc1O,7.991399828238082 | |
| 1742,c1cncc(-c2ccc3cccc4c3c2CC4)c1,8.610479534153622 | |
| 1743,CCc1c(C)nc2ncnn2c1Nc1ccc(OC(F)(F)F)cc1,8.498940737782249 | |
| 1744,N=C(N)CCN1c2ccccc2Sc2ccc(Cl)cc21,6.512861624522813 | |
| 1745,CC(C)OC(=O)c1c(-c2ccc3c(c2)OCO3)csc1N,7.6777807052660805 | |
| 1746,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1,8.232473100591617 | |
| 1747,O=C(O)COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O,8.349692476868064 | |
| 1748,CN(C)CCOc1ccc(-c2nc3ccccc3[nH]2)cc1,7.9714287473074625 | |
| 1749,Cc1ccc(-c2nn3c(=O)cc(C(F)(F)F)nc3s2)cc1,8.97469413473523 | |
| 1750,CCN(CC)C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1,7.602029591778201 | |
| 1751,Cn1cc(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)cn1,7.603800652904264 | |
| 1752,COc1cc(/C=C\c2ccc(Cl)c(N)c2)cc(OC)c1OC,8.520000247408364 | |
| 1753,C=CCOC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OC)c1,7.504455662453552 | |
| 1754,N#Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,8.0 | |
| 1755,O=[N+]([O-])/C=C/c1ccc(Br)o1,7.592609095529268 | |
| 1756,O=C(N=NCc1cc(Br)c(O)c(Br)c1O)c1ccc2ccccc2c1,8.847711655616944 | |
| 1757,COc1ccc2c(c1)[nH]c1c(C)nccc12,7.455931955649724 | |
| 1758,CSc1cccc2[nH]cc(CCN(C)C)c12,6.82102305270683 | |
| 1759,Cn1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1/C=C/C(=O)NO,7.531652669587842 | |
| 1760,Cc1ccccc1-c1cc(-c2cn[nH]c2-c2ccccn2)ccn1,8.400007822415901 | |
| 1761,N#CC(=C1/Nc2ccccc2S1)/C(C#N)=C1\Nc2ccccc2S1,7.371611069949688 | |
| 1762,Cn1c2ccccc2c2c1cnc1c3ccccc3n(C)c12,8.71712573575391 | |
| 1763,O=c1cc(Sc2cccc(-c3ccc(Cl)cc3)c2)[nH]c(=O)n1O,8.10790539730952 | |
| 1764,CCCS(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1,8.173277479831007 | |
| 1765,Oc1cccc(O)c1-c1cnc[nH]1,8.275724130399212 | |
| 1766,Nc1ccccc1S(N)(=O)=O,8.578396073130168 | |
| 1767,c1n[nH]cc1-c1cnc2ncc(-c3cn[nH]c3)n2c1,8.301029995663981 | |
| 1768,NC(=O)c1ccc(NCc2cccc(Cl)c2)c2cncnc12,7.920818753952375 | |
| 1769,C#Cc1ccc(CNC(=O)c2cc(C(=O)CCl)cn2C)cc1,7.356547323513812 | |
| 1770,CCC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO,7.0655015487564325 | |
| 1771,O=C(N/N=C/c1ccc(O)cc1)c1nc2ccccc2[nH]1,7.614393726401688 | |
| 1772,O=C1C=CC(=O)N1c1ccc(O)cc1,7.889410289700751 | |
| 1773,c1ccc(Nc2ncc(-c3ccccc3)o2)cc1,8.522878745280337 | |
| 1774,N#Cc1cnn(C(=NC2CCCC2)C(=O)c2ccc(Br)cc2)c1N,8.531652669587842 | |
| 1775,N#CN=C1SCCN1Cc1ccc(Cl)nc1,6.920818753952375 | |
| 1776,O=C(O)c1ccnc(-n2nccc2-c2ccc(Br)cc2)c1,9.0 | |
| 1777,O=c1[nH]c2cc3ccccc3cc2[nH]c1=O,7.795880017344075 | |
| 1778,N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,6.2076083105017466 | |
| 1779,COC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1,8.455931955649724 | |
| 1780,CC(=O)NCCCCC(N)C(=O)N1CCCC1,8.0 | |
| 1781,CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,8.0 | |
| 1782,C[C@@H](O)c1ccc2ccccc2c1,7.102372908709558 | |
| 1783,Fc1ccccc1CSc1nnc(-c2cnccn2)n1-c1ccccc1,7.753255290276159 | |
| 1784,O=c1[nH]oc2c1CNCC2,6.795880017344075 | |
| 1785,CN1C(C(=O)N/N=C/c2ccccc2)=C(O)c2ccccc2S1(=O)=O,7.675717544702307 | |
| 1786,Cc1cccc(Nc2ccccc2C(=O)O)c1C,7.2441251443275085 | |
| 1787,O=S(=O)(Nc1ccc(O)c(-c2ccccc2O)c1)c1cc(Cl)ccc1Cl,7.7121982700697735 | |
| 1788,O=C(O)c1cc2cc(/C=C/c3cccc([N+](=O)[O-])c3)ccc2cc1O,8.013228265733755 | |
| 1789,Cc1cc(N=Nc2ccc3c(c2)CCC(=O)N3)c(N)cc1O,8.65091683122041 | |
| 1790,Nc1c(C(=O)Nc2cccc(F)c2)sc2nc(-c3cccs3)ccc12,7.443697499232712 | |
| 1791,O=C(O)Cc1ccc(S(=O)(=O)NCC(=O)NO)cc1,8.298432014944073 | |
| 1792,N=c1ccc(-c2cccc(N)c2)nn1CCCC(=O)O,7.511288567880362 | |
| 1793,C[C@]12N[C@H](Cc3cc4ccccc4cc31)c1ccccc12,7.050609993355087 | |
| 1794,COc1cc(OC)cc(C(=O)On2nnc3ccccc32)c1,7.213958789757446 | |
| 1795,COc1ccccc1N1CC(O)=C(c2nc3ccccc3[nH]2)C1=N,8.00436480540245 | |
| 1796,Cc1ccc2oc(-c3ccc(C(C)C)cc3)c(O)c(=O)c2c1,7.585026652029182 | |
| 1797,N[C@@H](CC(=O)Nc1ccc2oc3cc(F)c(F)cc3c2c1)C(=O)O,9.0 | |
| 1798,Brc1ccc(Nc2nc(-n3cnc4ccccc43)cs2)cc1,7.0 | |
| 1799,O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccc2c1OCO2,7.826813731587726 | |
| 1800,CC1(C)C=C(c2cccc[n+]2[O-])c2cc(C#N)ccc2C1=O,8.443697499232712 | |
| 1801,O=C(O)CCNC(=O)[C@@H](CS)Cc1ccccc1,7.494850021680094 | |
| 1802,COc1cc(Cc2cnc(N)nc2N)cc2c(C)ccnc12,7.698970004336019 | |
| 1803,CC1CCC/C(=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1,7.358724242768087 | |
| 1804,Cc1ccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)o1,8.496209316942819 | |
| 1805,Cc1cccc(Nc2ccccc2C(=O)O)c1C,8.407823242604133 | |
| 1806,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,8.721246399047171 | |
| 1807,NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccccc1C(F)(F)F,8.55284196865778 | |
| 1808,Nc1nc2c(-c3ccco3)nccc2[nH]1,7.468521082957745 | |
| 1809,COc1cccc2cc(C#N)cnc12,8.173925197299173 | |
| 1810,c1ccc2[nH]c(-c3cnccn3)nc2c1,7.482804102050026 | |
| 1811,O=C(O)[C@H]1NC[C@@H]2ONC(=O)[C@H]12,8.102372908709558 | |
| 1812,Nc1c2c(nc3ccccc13)CCC(O)C2,8.752026733638193 | |
| 1813,O=C(O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12,8.318758762624412 | |
| 1814,O=C(O)c1ccnc(C(=O)O)c1,7.823908740944319 | |
| 1815,Cc1c(O)c(O)c(O)c(C=O)c1-c1cc2c(C=O)c(C)c(O)c(O)c2o1,8.422508200162774 | |
| 1816,COc1cc2ncnc(Nc3cccc(SC)c3)c2cc1OC,8.301029995663981 | |
| 1817,O=C(NOc1ccccc1)Nc1csc(Cc2ccccc2)n1,7.698970004336019 | |
| 1818,O=C1NC(=O)C(Cc2ccc(O)cc2)S1,6.647817481888637 | |
| 1819,CC(=O)Nc1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl,8.744727494896694 | |
| 1820,COc1cc(/C=C/c2cc(C)no2)cc(Br)c1O,8.397940008672037 | |
| 1821,COc1ccc(/C=C/C(=O)c2cccnc2)c(OC)c1,8.568818034169817 | |
| 1822,O=S(=O)(Nc1nc(-c2cccc(Br)c2)cs1)c1cccc(Cl)c1,7.889410289700751 | |
| 1823,Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3)ccc12,7.661543506395395 | |
| 1824,O=C(CCCCCONC(=O)Nc1ccc(F)cc1)NO,8.732828271596986 | |
| 1825,O=C(O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12,7.494850021680094 | |
| 1826,CC(C)C1(C)CCSC1=O,6.853871964321762 | |
| 1827,CC(NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1)C(=O)O,7.978810700930062 | |
| 1828,O=C(O)C(=O)/C=C(\O)c1ccccc1F,7.236572006437063 | |
| 1829,N#Cc1ccccc1COc1cccc2onc(Nc3cccnc3)c12,8.356547323513812 | |
| 1830,Cn1c(Nc2ccc(-c3cccc(C#N)c3)cc2)cc(=O)n(O)c1=O,8.643018599006869 | |
| 1831,Fc1ccc2c(c1)CNc1c(NCc3ccccc3)ncnc1O2,8.050609993355087 | |
| 1832,Cc1ccc(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1,7.903089986991944 | |
| 1833,Clc1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1,8.638272163982407 | |
| 1834,O=C(Nc1cc(-c2ccc(O)cc2)cc2[nH]ncc12)C1CC1,7.59999938302362 | |
| 1835,O=c1[nH]cnc2cc3[nH]ncc3cc12,8.087777943467584 | |
| 1836,N[C@@H](C[C@H](CCCc1ccccc1)C(=O)O)C(=O)O,8.26121944151563 | |
| 1837,CC(C)CNCC(P(=O)(O)O)P(=O)(O)O,8.456801414362353 | |
| 1838,NC(=O)c1cc2c(cn1)sc1ccccc12,5.806875401645538 | |
| 1839,C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc(C#N)cc2)cs1,8.140954618425534 | |
| 1840,CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1,8.191789027075778 | |
| 1841,CCOC(=O)c1cc(C)sc1NC(=O)CC1SC(=N)NC1=O,7.347753658996677 | |
| 1842,COc1ccc2c(=O)c(O)c(-c3ccc4c(c3)OCO4)oc2c1,8.795880017344075 | |
| 1843,CCCCNS(=O)(=O)n1nc(C(=O)O)c2c1-c1cn[nH]c1CC2,8.920818753952375 | |
| 1844,Nc1nccc(-c2c[nH]c3cnccc23)n1,7.910094888560602 | |
| 1845,O=c1[nH]c2c(n3ccnc13)Cc1ccc(Cl)cc1-2,8.522878745280337 | |
| 1846,CC(=O)CC(=O)c1c(O)c2c(=O)oc3ccc4ccccc4c3c2oc1=O,7.860120913598763 | |
| 1847,O=C(O)Cc1ccc2c(c1)Oc1ccccc1CO2,8.853871964321762 | |
| 1848,O=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccco1,8.6345120151091 | |
| 1849,CC(C)n1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21,8.602059991327963 | |
| 1850,O=c1cc(-c2cccc3ccccc23)[nH]c2ncccc12,8.958607314841775 | |
| 1851,OC[C@H]1NC[C@H](O)[C@H](O)[C@H]1O,6.036212172654444 | |
| 1852,NC(=O)c1ccc(N)cc1,5.7447274948966935 | |
| 1853,Cc1ccccc1C1N(C)Cc2cc(O)ccc2N1C,6.843450848668218 | |
| 1854,CC1(C)[C@H](c2cnc(N)[nH]2)[C@H]1c1cccc2c1CCO2,8.42021640338319 | |
| 1855,NCc1ccc(-c2cccnc2)s1,7.323901095083299 | |
| 1856,Cn1nccc1-c1ccc2nc(N)sc2c1,7.499999678657065 | |
| 1857,O=C(NO)c1sc(-c2ccncc2)nc1-c1ccccc1,8.772113295386326 | |
| 1858,O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccc(Cl)c(Cl)c2)c[nH]1,8.301029995663981 | |
| 1859,N#Cc1ccc2c(=O)n(-c3ccc(Cl)cc3)sc2c1,8.508638306165727 | |
| 1860,N#CC1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12,8.619788758288394 | |
| 1861,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,7.61261017366127 | |
| 1862,CC(C)O/N=C1\CN2CCC1C2,8.5016894462104 | |
| 1863,O=c1[nH]c(=S)nc2nc(C(c3ccccc3)c3ccccc3)[nH]n12,7.439256698945288 | |
| 1864,Oc1cc2[nH]c3c(O)c(O)ccc3c2cc1O,7.327902142064283 | |
| 1865,CNC(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O,6.721246399047171 | |
| 1866,CC12CC3CC(N)(CC(C1)c1ccccc13)O2,6.877784121727173 | |
| 1867,COC(=O)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3,8.3767507096021 | |
| 1868,NC(=O)c1ccc(OC(=O)c2ccc(N=C(N)N)cc2)cc1,8.167491087293763 | |
| 1869,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,8.0 | |
| 1870,O=C(O)c1nc(-c2ccncc2)[nH]c1C(=O)O,8.236572006437063 | |
| 1871,O=C1NC(=S)S/C1=C\c1ccccc1O,5.019996628416254 | |
| 1872,O=C(CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1)NO,8.80799040734633 | |
| 1873,N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NO,8.154901959985743 | |
| 1874,O=C(O)c1ccc(NC(=S)C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1,8.045757490560675 | |
| 1875,Cc1ccc(C2=NN3C(=O)COc4ccc(Cl)cc4C3C2)cc1,8.408490191005345 | |
| 1876,Cn1ccc(-c2nccc3c(=O)[nH]cnc23)n1,7.669586226650809 | |
| 1877,O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=O,8.21824462534753 | |
| 1878,COc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1OC,8.4089353929735 | |
| 1879,Cc1cc(Nc2cc(F)c(F)cc2F)n2ncnc2n1,7.769551078621726 | |
| 1880,O=C(CCn1nnnc1-c1cccc(Cl)c1)c1ccccc1,8.958607314841775 | |
| 1881,Clc1ccc(C2(c3nnc4c(C5CC5)cccn34)CC2)cc1,8.698970004336019 | |
| 1882,Cc1ccc(CCCCc2ccc(O)c(O)c2)cc1,7.665546248849069 | |
| 1883,CCS(N)(=O)=O,6.0 | |
| 1884,Nc1nccs1,7.7447274948966935 | |
| 1885,O=C(O)CCCCCNn1nnc2ccccc21,5.983802646487561 | |
| 1886,Cc1cccc(-c2nnc(-c3ccc(O)cc3O)s2)c1,7.769040444251431 | |
| 1887,CC(=O)OC[C@@H]1C=CC(=O)CO1,8.244125144327509 | |
| 1888,CN(C)CCc1c[nH]c2cc3c(cc12)OCO3,7.39040559077478 | |
| 1889,N#Cc1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1,8.568636235841012 | |
| 1890,N#Cc1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1,8.346787486224656 | |
| 1891,NC(=O)c1cccc(NC(=O)/C=C/C(=O)O)c1,7.749789876067178 | |
| 1892,O=C1OC(c2cccnc2)CC(O)=C1Sc1ccccc1Cl,7.823908740944319 | |
| 1893,N#Cc1ccc(-c2ccc(OCCC(=O)NO)cc2)cc1,8.481486060122112 | |
| 1894,Fc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1F,7.787812395596042 | |
| 1895,Nc1cccc(-c2nnc(-c3ccc(O)cc3O)s2)c1,8.761953896871205 | |
| 1896,C[C@]12N[C@H](Cc3ccccc31)c1cc3ccccc3cc12,7.0655015487564325 | |
| 1897,Nc1ccccc1NC(=O)c1ccccn1,7.290000325166601 | |
| 1898,Cc1cccc2[nH]c(-c3cccc(Cl)c3)nc12,8.275724130399212 | |
| 1899,O=c1ccc2c(-c3ccccc3)nccc2[nH]1,8.853871964321762 | |
| 1900,Clc1cccc(-n2nncc2-c2ccncc2)c1,8.356547323513812 | |
| 1901,NC(=O)[C@@H]1CC[C@H](c2ccc(Oc3ccccc3)cc2)N1,7.0 | |
| 1902,O=C(O)c1ccnc(-n2nccc2OC2CCc3cc(Cl)ccc32)c1,9.0 | |
| 1903,O=C(Nc1cccnc1)c1ccc2cccnc2c1O,8.387216143280265 | |
| 1904,Cc1cccc(-n2nc(C)c3c(=O)[nH]c4ccccc4c32)c1,8.045757490560675 | |
| 1905,COc1cc(Nc2c(C#N)cnc3ccsc23)c(Cl)cc1Cl,8.602059991327963 | |
| 1906,CC1=CC(=O)N(Nc2nc(-c3cccs3)ncc2C#N)C1=O,8.301029995663981 | |
| 1907,Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ccccc3[nH]1)CC2,7.795880017344075 | |
| 1908,CC(C)C[C@](N)(C(=O)O)C1C[C@@H]1C(=O)O,8.744727494896694 | |
| 1909,CCOC(=O)c1sc(SC(C)C)c(C#N)c1-c1cccc(O)c1,8.036212172654444 | |
| 1910,Oc1cccc2c1CC[C@H]1NCc3ccccc3[C@@H]21,8.537602002101044 | |
| 1911,Cc1ccc(C(=O)/C=C/c2ccc(F)c(Br)c2)o1,8.709965388637482 | |
| 1912,Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCNC1,8.8153085691824 | |
| 1913,COc1ccc(-n2nc(C(=O)O)c3c2-c2cn[nH]c2CC3)cc1,8.67778070526608 | |
| 1914,Nc1nc(N)c2c(CNc3ccc4ccccc4c3)coc2n1,7.420212403320857 | |
| 1915,Cc1nocc1-c1nc2ccccc2n1-c1ccc(O)cc1,8.935542010773082 | |
| 1916,O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Cl)cc1C(=O)c1ccccc1,8.0 | |
| 1917,C[C@H](NC(=O)c1ccccc1Br)C(=O)O,8.177831920631982 | |
| 1918,CCC1(C)CCCNC1=O,5.355561410532162 | |
| 1919,CCCCCCCCCC(=O)O,7.522878745280337 | |
| 1920,CCCc1nc(C)c2c(C)nc3ccc(OC)nc3n12,8.508638306165727 | |
| 1921,Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2cnco2)n1,8.619788758288394 | |
| 1922,O=C(/C=C/c1ccco1)c1ccco1,7.09312646527793 | |
| 1923,Cc1ccc(Br)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(Cl)nc12,8.707743928643524 | |
| 1924,O=C(/C=C/c1ccc(-c2ccc(O)cc2)cc1)NO,8.049635145623878 | |
| 1925,COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OCC(N)=O,6.168130225719498 | |
| 1926,CCON(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1,8.017728766960431 | |
| 1927,Nc1ccc(CN2C[C@@H](O)[C@H](O)[C@@H](CO)C2)cc1,8.028724151261894 | |
| 1928,CN(Cc1ccc(Cl)cc1)c1nc(C(F)(F)F)cc(=O)[nH]1,8.397940008672037 | |
| 1929,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,7.644612342013426 | |
| 1930,COc1ccc2c(c1)CCCN2c1ncnc2ccccc12,8.886056647693163 | |
| 1931,O=[N+]([O-])/C=C/c1ccc(O)cc1,7.997833938243493 | |
| 1932,CCC(C(=O)Nc1ccccc1Cl)c1ccccc1,7.824198367151721 | |
| 1933,Cc1ncc(/C=C/P(=O)(O)O)c(CO)c1O,5.886056647693163 | |
| 1934,CSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1,8.721246399047171 | |
| 1935,O=C(N/N=C/c1ccccc1F)c1c[nH]c2c(F)cccc2c1=O,8.036212172654444 | |
| 1936,CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F,8.853871964321762 | |
| 1937,CCS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1,8.267606240177031 | |
| 1938,COc1cccc2c1C(=O)c1c(ccc(C)c1O)C2=O,7.721246399047171 | |
| 1939,NC(Cc1c(-c2nccs2)o[nH]c1=O)C(=O)O,8.309803919971486 | |
| 1940,N[C@H](C(=O)O)[C@H](OCc1cccc2ccccc12)C(=O)O,8.886056647693163 | |
| 1941,CC(=O)Oc1c(C(C)C)cccc1C(C)C,8.070581074285707 | |
| 1942,CN(C)NC(=O)CCC(=O)O,8.823908740944319 | |
| 1943,COC(=O)Nc1nc2ccc(C(=O)c3ccc(OC)cc3O)cc2[nH]1,8.657577319177793 | |
| 1944,O=C(Nc1cc[nH]c(=O)c1)c1ccc(Cl)cc1Oc1c(F)cccc1Cl,7.920818753952375 | |
| 1945,O=C(CCCCc1ccccc1)c1ccc(O)cc1,7.64994590642097 | |
| 1946,O=C(O)c1nc(-c2cnccn2)[nH]c(=O)c1O,8.275724130399212 | |
| 1947,CC1CN(c2cc(=O)c3ccc4ccccc4c3o2)CCO1,8.318758762624412 | |
| 1948,Cc1ccc2c(=O)cc(-c3ccc4ccccc4c3)[nH]c2n1,8.290000325166602 | |
| 1949,Cc1cc(Nc2nn(C)c(=O)c3ccccc23)n[nH]1,7.769551078621726 | |
| 1950,Cc1noc(NS(=O)(=O)c2ccsc2COc2ccc3c(c2)OCO3)c1Br,8.226945306635738 | |
| 1951,COc1cc(Sc2c[nH]c3ccc(Br)cc23)cc(OC)c1OC,8.795880017344075 | |
| 1952,Nc1nc(N)c2nc(Nc3ccc(OC(F)(F)F)cc3)ccc2n1,8.384576047114056 | |
| 1953,CC(=O)c1nnn(-c2cnn(Cc3ccccc3)c(=O)c2Br)c1C,8.468521082957745 | |
| 1954,Cn1cnc2[nH]c(=O)n(O)c(=O)c21,6.600326278518962 | |
| 1955,Cc1c(O)c(O)c(O)c(C=O)c1-c1cc2c(C=O)c(C)c(O)c(O)c2o1,8.732828271596986 | |
| 1956,c1csc(-c2cncc3ccc(O[C@H]4CCNC4)cc23)n1,8.439137305272535 | |
| 1957,O=C(O)CSc1ncnc2sc(-c3ccccc3)cc12,8.903089986991944 | |
| 1958,Clc1cccc(Cn2cnc(-c3cc(-c4nn[nH]n4)ccn3)c2)c1,9.0 | |
| 1959,NC[C@H](CC(=O)O)c1ccc(Cl)cc1,6.015922966097169 | |
| 1960,Nc1cccc(-c2cnc3ccc(Cl)nn23)c1,7.3872161432802645 | |
| 1961,Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)O)cc1,6.669586226650809 | |
| 1962,O=S(=O)(c1cc(Cl)ccc1Cl)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21,8.113509274827518 | |
| 1963,Cc1ccc(NC(=O)c2scnc2CCc2cnoc2)c(F)c1,8.51999305704285 | |
| 1964,CCC1(CC)CCCCNC1=O,6.42021640338319 | |
| 1965,Cn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1,7.075720713938118 | |
| 1966,Cc1occc(=S)c1O,7.958607314841775 | |
| 1967,Cn1c2ccccc2n2c(=O)c(=O)n(CC(=O)O)nc12,7.605548319173784 | |
| 1968,O=[N+]([O-])c1ccc2nonc2c1Sc1nc2ccccc2[nH]1,8.366531544420413 | |
| 1969,CC(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1,8.869666231504993 | |
| 1970,NC1(C(=O)O)C[C@H](C(=O)O)[C@H](C(=O)O)C1,6.939302159646388 | |
| 1971,Brc1ccc(-c2csc(N/N=C/c3cc4ccccc4s3)n2)cc1,6.363211310965625 | |
| 1972,c1ccc(Cn2cnc3ccc(-c4ccnc5[nH]ccc45)cc32)nc1,8.1249387366083 | |
| 1973,C[C@@](O)(C(=O)N1CCN(c2cc([N+](=O)[O-])ccn2)CC1)C(F)(F)F,8.546681659952963 | |
| 1974,CC(C)n1nc(-c2ccc(S(N)(=O)=O)cc2)c2c(N)ncnc21,7.958607314841775 | |
| 1975,CC(=O)n1nc(C)c(-c2ccc(C)c(C)c2)c1N,7.402304814074488 | |
| 1976,O=C(Cc1ccc(Cl)cc1Cl)N1CCc2cc(O)c(O)cc2C1,9.0 | |
| 1977,O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc(Br)cc(Br)c2oc1=O,8.149353764816933 | |
| 1978,COc1ccc2cc(C(C)CO)ccc2c1,7.010639186223752 | |
| 1979,O=C1OCC(O)=C1c1ccccc1F,7.1249387366083 | |
| 1980,O=C(NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)c1ccccc1,8.769551078621726 | |
| 1981,COC(=O)c1ccc(/C=C/c2ccc([N+](=O)[O-])o2)o1,6.899629454882437 | |
| 1982,CC(C)(C)NCC(O)COc1ccccc1,7.552841968657781 | |
| 1983,Nc1ccc(CCc2nc3cc(N)ccc3o2)cc1,7.749336080536756 | |
| 1984,Oc1ccc(-c2nc3cc(O)c(Br)cc3o2)cc1F,8.91721462968355 | |
| 1985,COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1,7.300000202445418 | |
| 1986,N#CN1CC[C@@H](NC(=O)c2ccc(F)cc2)C1,7.900001866923468 | |
| 1987,c1ccc(Cn2cnc3c(N4CCCC4)ncnc32)cc1,7.795880017344075 | |
| 1988,N#Cc1ccc2[nH]c(-c3ccncc3)c(-c3ccc(F)c(F)c3)c2n1,8.79860287567955 | |
| 1989,CCOC(=O)CC(O)(c1[nH]c(C)cc1C)C(F)(F)F,8.317854923626168 | |
| 1990,CNc1nnc(-c2cccc3ccccc23)o1,8.267606240177031 | |
| 1991,N[C@@H]1CCN(O)C1=O,7.903089986991944 | |
| 1992,O=C1Nc2ccc(CCCCc3ccccc3)cc2C1=O,8.659555885159882 | |
| 1993,CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,7.660000322371772 | |
| 1994,O=C1Oc2cc(O)ccc2/C1=C\c1ccc(O)cc1,6.512861624522813 | |
| 1995,Cc1ncc2c(n1)-c1ccccc1C2n1ccnc1,8.547571038638443 | |
| 1996,COc1ncc(-c2nn(C(C)C)c3ncnc(N)c23)c(OC)n1,8.924453038607469 | |
| 1997,O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1,7.782516055786093 | |
| 1998,Cc1cc(=O)oc2cc(O)ccc12,7.0 | |
| 1999,CC(=O)OCCc1scnc1C(=O)Nc1nccs1,7.746661994673893 | |