rk-random/PACT-Net

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CC1)c(=O)n2CC1CC1,7.1487416512809245178176,CSc1ncnc2c1ncn2C(C)c1cccc(OC(C)=O)c1,8.769551078621726179177,Cc1nc2ncnc(N)c2[nH]1,6.709075440617246180178,Cc1cc(C(=O)n2nnc3ccccc32)ccc1[N+](=O)[O-],8.387216143280265181179,CC(O)(c1ccccc1)c1ccnc(Nc2ccc(C#N)cc2)n1,8.698970004336019182180,O=C(N/N=C/c1ccc(O)cc1O)c1cc2cc(Cl)ccc2[nH]1,7.382999658879101183181,COc1cc(CN2C(=O)CCC2=O)cc(OC)c1OC,7.124360062995832184182,N#Cc1cc2cc(Cl)ccc2oc1=O,7.668977828958171185183,N#Cc1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12,8.259637310505756186184,NC(=O)CCNCc1ccc(Cl)c(Cl)c1,5.301029995663981187185,O=C(CCCCCONC(=O)c1cc(Br)cc(Br)c1)NO,8.763210900590707188186,CC(C)c1[nH]c2ccccc2c1Cn1ccnc1,8.698970004336019189187,Nc1ccc2c(c1)C(c1ccccc1Cl)=NCC(=O)N2,4.875000466419922190188,CC[C@@H]1C(=O)N(C)C[C@@H]1Cc1cncn1C,8.337242168318426191189,Cc1ccc(/C(O)=C/C(=O)C(=O)O)c(C)c1,8.698970004336019192190,Cn1nc(-c2ccc(Cl)cc2)sc1=Nc1cccc(-c2nn[nH]n2)c1,8.476253533188435193191,O=S1(=O)N=C(Nc2ccccc2Br)Nc2c(O)cc(Cl)cc21,7.886056647693163194192,COC(=O)Nc1ccc2occ(CCNC(=O)C3CC3)c2c1,8.229147988357855195193,N[C@@H](C[C@@H]1CCCC[C@@H]1CCP(=O)(O)O)C(=O)O,8.619788758288394196194,Nn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O,4.8947283168932065197195,Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1,7.455931955649724198196,Cc1cnc(-n2[nH]cc(-n3ccnc3)c2=O)cc1C,8.55284196865778199197,O=C(Nc1cccc(-c2ccc(F)cc2)c1)OCc1ccccc1,8.102372908709558200198,NS(=O)(=O)c1ccc(N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1,7.705533773838407201199,Cc1c(Cn2ccnc2)oc2ccc(C(=O)O)cc12,7.0202200,CC(=O)c1c2c(c(C)[nH]c1=O)CC(c1ccncc1)CC2,6.388276691992658203201,CCOC(=O)c1cc(CC)sc1NC(=O)CC1SC(=N)NC1=O,8.585026652029182204202,CCCCN1/C(=C/C(=O)NO)Sc2ccccc21,8.98296666070122205203,C[C@@](O)(C(=O)NC1CCCCC1)C(F)(F)F,8.207608310501746206204,CC[C@H]1NC[C@H](O)[C@@H]1O,7.698970004336019207205,O=C(O)CC[N+](=O)[O-],7.8326826652518236208206,O=C(O)c1cc2cc(Br)cc(OCCc3ccncc3)c2o1,8.346787486224656209207,Cc1cc(/C=C/c2cc3ccc(O)cc3nc2Cl)cc(C)c1O,8.806875401645538210208,CCOc1cc(-c2c(C)noc2C)cc(C(C)O)c1,7.55129368009492211209,NCCCP(=O)(O)c1ccccc1,6.899629454882437212210,Cc1ccsc1C(=O)n1nc(Nc2ccc(S(N)(=O)=O)cc2)nc1N,8.619788758288394213211,N#C[C@@H]1CCCN1C(=O)CNC(=O)C1=CC=NC2=NC=CC12,8.568636235841012214212,NC(=O)N(O)C1COc2cc(OCc3ccccc3)ccc21,8.684729565221408215213,CCCn1c(=O)nc2oc3ccc4ccccc4c3cc-2c1=O,7.903089986991944216214,CCOC(=O)CCc1c(-c2ccccc2)nc2ccc(Cl)cn12,8.954677021213342217215,Cc1c2c(=O)oc3ccccc3c2nn1-c1cccc(Br)c1,7.6020599913279625218216,N#CN1CCCC1,8.643398653612792219217,Cn1cc[nH]c1=S,8.075720713938118220218,CC(C(=O)CP(=O)(O)O)C(N)C(=O)O,8.154901959985743221219,Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,8.154901959985743222220,CC1=C(c2ccccc2)C(=O)N(c2c(F)c(F)nc(F)c2F)S1(=O)=O,7.481486060122112223221,O=c1c2ccccc2sn1CCc1ccccc1,8.446116973356126224222,Nc1c(C(=O)c2ccccc2)cc[n+]([O-])c1-c1ccc(Cl)cc1,8.596879478824182225223,CNCc1ccc(-c2ncnc3nc[nH]c23)cc1,8.161150909262744226224,CCSC(=S)SCC(=O)c1ccc(Cl)cc1,9.0227225,COc1ccc(N(C)c2ncnc3ccccc23)cc1,9.0228226,N=C1C(c2ccccc2)=Nc2ccccc21,7.647817481888637229227,COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1,7.030584087646019230228,Cc1nn(C(=O)c2ccc3ccccc3c2)c(C)c1Cl,8.645891560852599231229,O=C(O)CN(C(=O)c1ccc2ccccc2c1)c1ccccc1,7.721246399047171232230,CCNC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl,8.599462010608054233231,O=C(NO)c1ccc(OCc2ccc(F)cc2)cc1O,7.0234232,COc1cc2c(cc1OC)C1=NNC(=O)C1=NC(C)(C)C2,8.089322245257295235233,CN(C)C(=O)c1sc(-c2ccncc2)nc1O,7.61261017366127236234,O=c1cc(N2CCOCC2)nc2c3ccccc3ccn12,8.275724130399212237235,O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cncc(Br)c1,7.3854381212744835238236,O=c1c(C=Nc2ccc(Cl)cc2O)coc2ccccc12,8.749579997691106239237,O=C(Cc1csc(NC(=O)CCC(=O)c2ccccc2)n1)NO,8.344861565188618240238,COc1cc2cc(CO)c(CO)cc2cc1OC,7.698970004336019241239,COc1ccccc1-c1nc(C(N)=O)c(N)o1,7.441291429466834242240,Cc1ccc2c(=O)cc(-c3ccc4ccccc4c3)[nH]c2n1,8.292429823902063243241,CC(=O)NCCc1coc2ccc(C(N)=O)cc12,9.0244242,O=C(OCc1ccc(Oc2ccccc2)cc1)c1cccc(=S)[nH]1,6.958607314841775245243,C[C@H](CO)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1,8.113509274827518246244,Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1,8.087246696328677247245,Cn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccccc3)nc21,8.09151498112135248246,Fc1ccc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)cc1Cl,7.3041682271733075249247,Cc1nc2ccccc2c(=O)n1NS(=O)(=O)c1ccccc1,8.066512712151294250248,NC(=O)Nc1cccc2c1C(=O)c1c-2n[nH]c1C1CC1,8.853871964321762251249,CC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1cn(C)cn1,8.259637310505756252250,CCOC(=O)c1cncn1[C@H](C)c1ccccc1,7.3872161432802645253251,O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1Cc1ccncc1,8.086186147616283254252,COCOc1ccc(-c2n[nH]c(-c3ccnc(C)c3)n2)cc1C#N,7.619788758288394255253,O=C1NC(=O)/C(=C/c2ccc(F)cc2)S1,8.638272163982407256254,O=C(NCc1ccncc1)c1ccc(Oc2ccc(F)cc2)cc1,9.0257255,COc1cccc(NCc2ccc3nc(N)nc(N)c3n2)c1,8.769551078621726258256,O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12,8.431798275933005259257,Cn1nnnc1-c1o[nH]c(=O)c1CC(N)C(=O)O,7.267606240177032260258,CC(=O)N1CCC(Oc2cc3cnccc3cc2Br)CC1,7.900001866923468261259,Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)nc1,8.595679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(NC(C)=O)cc2)nc[nH]c1=O,8.177831920631982431429,CCOC(=O)CNC(=O)C(=O)c1c[nH]c2ccc(Br)cc12,8.698970004336019432430,COc1ccc2c3c([nH]c2c1)-c1nc2ccccc2c(=O)n1CC3,7.656591406196142433431,O=Nc1c(O)c2c(F)c(F)c(F)c(F)c2[nH]c1=O,8.481486060122112434432,C[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1,7.508638306165727435433,O=C(CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)NO,8.756961951313706436434,CC(c1cccc2ccccc12)n1cc(O)c(=O)c(C(=O)O)c1,8.645891560852599437435,CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2cccc(O)c2)cc1)C(F)(F)F,7.7447274948966935438436,COc1cc2ncnc(Nc3cccc(O)c3Cl)c2cc1OC,8.721246399047171439437,O=C(c1ccncc1)c1ccc(F)cc1,5.319936572518051440438,CC(=O)c1cccc(OCc2cccc(Cl)c2)c1,7.329754146925876441439,CN(C)c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1,8.300000202445418442440,O=C(Cc1ccccc1)N(O)CCCP(=O)(O)O,7.169411331314856443441,O=C1CCC[C@@H]2OC[C@H](Cc3c[nH]c4ccccc34)N12,6.515557792357593444442,O=c1c(-c2ccc(O)cc2)coc2c(O)c(O)ccc12,6.853871964321762445443,O=S(=O)(Nc1cccc2cccnc12)Oc1ccccc1,8.488116639021126446444,CC12CCC(CC1)C(C)(C)O2,6.589999287456538447445,Clc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1,8.22767829327708448446,COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3F)c2cc1OC,7.858550226599533449447,Oc1cccc(-c2ccc(-c3ccc(F)cc3)s2)c1,8.43711261870612450448,CCOC(=O)c1[nH]c(C=O)cc1C,8.036212172654444451449,O=C(O)CN1C(C(=O)O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O,8.022276394711152452450,O=S(=O)(Nc1cccc(Cl)c1)c1ccc(O)c2ncccc12,8.135488918941608453451,Nc1ncnc2n[nH]c(-c3cccc(Oc4ccccc4)c3)c12,7.0454452,CC(C)n1cnc2c(Nc3ccnnc3)nc(Cl)nc21,8.795880017344075455453,N#CCNC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccccc1,8.499999678657066456454,COc1cc(=O)cc2cc(O)c3c(O)cc(C)oc3c12,7.892790030352131457455,O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4ccnc4)cc3n2n1,7.774690718274137458456,CCSC(=S)SCC(=O)c1ccc(CNC(C)=O)cc1,8.855581481397932459457,CNc1cc(-c2ccc(C(F)(F)F)cc2)ccc1NS(N)(=O)=O,8.839231438138873460458,CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2cccc(O)c2)cc1)C(F)(F)F,7.7447274948966935461459,O=c1nc(SCc2cccc(O)c2)nc(SCc2ccccc2F)[nH]1,6.891434976267165462460,NCC=C=Cc1ccccc1,8.939302159646388463461,Nc1nccc2ccccc12,8.337242168318426464462,Oc1cc(O)cc(-c2ccc3cc(O)ccc3c2)c1,7.275724130399211465463,Cc1cccc([C@]2(O)OCC(C)(C)N[C@H]2C)c1,7.481486060122112466464,O=C(O)Cn1nc2c(cc1=O)CCc1ccccc1-2,6.806875401645538467465,COc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1,8.522878745280337468466,O=C1Cc2c([nH]c3ccc(Br)cc23)-c2cccnc2N1,8.075720713938118469467,CNC(=O)Nc1ccc2c(c1)/c(=C/C(=O)O)c1c2[nH]c(=O)c2nccn21,7.0470468,COc1c(F)cc(O)cc1-c1csc(N2CCOCC2)n1,8.51999305704285471469,C[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1,8.703334809738468472470,O=c1cc(-c2ccccc2)c2ccc(O)c(O)c2o1,8.744727494896694473471,c1ccc(CCCSc2nc3ccccc3[nH]2)cc1,7.920818753952375474472,Nc1ncnc2n[nH]c(-c3cccc(Oc4ccccc4)c3)c12,7.0475473,CC(Nc1ncc(-c2ccccc2)n1C)c1ccc(Cl)cc1,8.886056647693163476474,O=C(/C=C/c1cccc(O)c1)c1cc(O)c(O)c([N+](=O)[O-])c1,7.357535479757878477475,O=C1CCc2cc(OCCCc3ccccc3)ccc2N1,7.705533773838407478476,C=CCNc1nc(N)c(C(=O)c2ccccn2)s1,7.481486060122112479477,CCOc1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1,8.209714835966759480478,CCc1cccc(C23SCCN2C(=O)c2ccccc23)c1,8.958607314841775481479,O=C1CSC(N2N=C(c3ccc(Br)cc3)CC2c2ccc(Cl)cc2)=N1,8.231361898752386482480,COc1ccc2c(c1)CCc1cc(OC)ccc1[N+]([O-])=[N+]2[O-],8.142667503568731483481,COc1cc(-c2nn(C(C)C)c3ncnc(N)c23)ccc1N,8.031517051446064484482,O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1sccc1Cl,8.769551078621726485483,CCCCCc1c(CC(N)C(=O)O)o[nH]c1=O,7.958607314841775486484,CC[C@H](C)[C@H](N)C(=O)N1CCC(F)C1,8.42021640338319487485,O=C1C=CC(=O)N1c1ccccc1,6.640164517660112488486,O=C(NCC1CCCCC1)P(=O)(O)O,9.0489487,O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)NCCO3,8.823908740944319490488,COc1cc(/C=C/C(=O)c2ccccc2O)ccc1O,7.200659450546418491489,CC(C)c1cc(Br)cc(C(C)C)c1O,8.97061622231479492490,O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12,7.58225159797441493491,Cc1cccc(C#Cc2cccc(OC(=O)CCCBr)c2)n1,8.474955192963154494492,COc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1,8.280012794025568495493,NCCc1ccc(Cl)c(Cl)c1,7.698970004336019496494,C[C@H](NCc1ccc(OCc2ccccc2)cc1)C(=O)O,6.821598658466245497495,CCc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2,4.556000510545702498496,O=C(O)Cc1cccc2ccccc12,7.494850021680094499497,O=C1Nc2ccc(Cl)cc2C1=NN1CCOCC1,8.876148359032914500498,CCCn1c(=O)nc2oc3ccccc3cc-2c1=O,7.52432881167557501499,CC1(c2cccc(-c3cncnc3)c2)N=C(N)c2c(F)cccc2O1,8.045757490560675502500,CC(C)CC(=O)OC(C(=O)O)C(C)C,7.4185054577091005503501,CC(=O)n1nc(N)c(Br)c1C,7.903089986991944504502,O=C(O)[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccc(C(F)(F)F)cc2)C1,8.119186407719209505503,OCC1NC(CO)[C@@H](O)C(O)C1O,8.769551078621726506504,CC1(C)C(=O)Nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc21,6.878112014896319507505,O=C(Cn1ccnc1)c1ccc(-c2ccc(Br)cc2)cc1,8.823908740944319508506,CNC(=S)N1CC=C(C(C)(C)C)CC1,6.7447274948966935509507,O=C(NO)c1ccc(/C=C/c2cccc(Cl)c2Cl)o1,7.307329300843631510508,Cc1ccccc1-c1ccc2nc(N)ncc2c1,8.408601448718752511509,COc1cc2nc(=O)[nH]c(Cc3ccccc3)c2cc1OC,7.886056647693163512510,CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(F)c2)s1,8.795880017344075513511,CN(C)CCc1coc2ccc(C(N)=O)cc12,8.38000039949954514512,CN(C)c1ncnc2c1[nH]c(=O)n2Cc1ccccc1,7.366531544420414515513,CN(C)[C@@H]1CC[C@H](c2c[nH]c3ccc(C#N)cc23)C1,8.161150909262744516514,N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)O,6.468521082957745517515,Cc1cccc2[nH]c(-c3ccccc3O)nc12,8.275724130399212518516,O=C(O)CC1CN=CN1,8.518394004304326519517,O=C(O)c1cc(O)ccc1O,7.1249387366083520518,O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2)cc1,7.533132379645891521519,O=c1c2ccc(Br)cc2sn1-c1ccc(Cl)cc1,7.958607314841775522520,CC(C)c1cc(C=O)cc(C(C)C)c1O,8.236572006437063523521,Cc1cc(C#N)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1,8.782516055786093524522,N#CC1=C(SCc2ccccc2)SC(c2ccc(O)c(O)c2)NC1=O,8.853871964321762525523,COc1ccccc1-c1cnccc1NS(C)(=O)=O,7.679853713888946526524,C(=NC1CCCCC1)c1ccc2c(c1)OCCCO2,8.795880017344075527525,Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1,8.638272163982407528526,O=P(O)(O)Cc1cccc(C(Cl)P(=O)(O)O)c1,8.096910013008056529527,Cc1cn(C2CC(O)C(OP(=O)(O)O)O2)c(=O)[nH]c1=O,7.920818753952375530528,CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,8.370998380713008531529,COc1cc(OC)cc(-c2nn3c(=O)cc(C(F)(F)F)nc3s2)c1,8.939302159646388532530,O=C(c1ccccc1)c1oc2cc(O)ccc2c1-c1ccccc1,8.67778070526608533531,O=C(O)[C@@H]1C[C@H]2C[C@@H](OCc3nn[nH]n3)CC[C@H]2CN1,7.767003889607846534532,Cc1ccccc1CN1C(=O)NC(=O)C1=O,6.892790030352131535533,CC(C)n1nc(-c2cc(C=O)co2)c2c(N)ncnc21,8.224753740259764536534,O=P(O)(O)C(Nc1ccc(Oc2ccc(Br)cc2)cc1)P(=O)(O)O,7.305394801066432537535,CCCCCC1(CCO)N=N1,7.481486060122112538536,O=c1[nH]ccc2cc(OC[C@@H]3CCCNC3)ccc12,6.308918507877031539537,O=c1cc(-c2cccc(Cl)c2)[nH]c2ncccc12,8.823908740944319540538,O=C(O)[C@H]1C[C@@H](CCc2nn[nH]n2)CCN1,8.2839966563652541539,Cc1cc(NC(=O)c2ccccc2)n[nH]1,8.823908740944319542540,O=C(c1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12,8.790753151246626543541,c1ccc(COc2ccccc2-c2nc3ncccc3[nH]2)cc1,8.096910013008056544542,N#Cc1cc(C(F)(F)F)ccc1C#Cc1ccc(NC(=O)C(=O)O)cc1,7.863279432843593545543,CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)c(O)c1)C(F)(F)F,8.886056647693163546544,C[C@@H](N)c1cccc(N2CCOCC2)c1,8.31887956757741547545,NC(=S)Nc1ccccc1,8.814363423038088548546,Cc1ncc([N+](=O)[O-])n1CC(C)O,7.54515513999149549547,N#Cc1cc(F)cc(Oc2ccc3c(c2C(F)F)[C@H](O)C(F)(F)S3(=O)=O)c1,8.769551078621726550548,O=C1C=C(c2ccccc2)C(=O)C(c2ccccc2)=C1,7.941953769604718551549,Oc1ccc2[nH]ccc2c1,7.167491087293763552550,Clc1ccc(-c2nnc(NCc3ccncc3)o2)cc1,8.259637310505756553551,O=C(NCCCCCS)c1cc(-c2ccc(F)cc2)n[nH]1,8.721246399047171554552,Cc1ccc(CNc2ccnc(-c3cccc(C#N)c3)n2)cc1,7.3851027839668655555553,CC(C)(C)C1(C)CCNC1=O,5.486782399932061556554,CC(NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1ccncc1,8.795880017344075557555,O=c1cc(-c2ccc(O)cc2)oc2c1ccc1ccccc12,8.013228265733755558556,COc1ccc(N)cc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl,8.526424720204755559557,O=P(O)(O)C(c1ccccc1)c1ccc(-c2ccccc2)cc1,7.173925197299173560558,O=C1/C(=C\c2ccc(O)c(O)c2)Oc2ccccc21,7.5718652059712115561559,C[C@H](O)c1cccc2ccccc12,6.669586226650809562560,COC(=O)C1=C(c2ccccc2)c2c(OC)cccc2C1=O,7.823908740944319563561,O=C(CCCCCONC(=O)c1ccccc1)NO,8.847711655616944564562,CC1CCCC/C1=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1,7.349692476868063565563,CCNc1ccc(-c2ccc3nc(N)sc3c2)cn1,7.900001866923468566564,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S,8.903089986991944567565,Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc(Cl)c1Cl,8.494850021680094568566,CC(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1,8.744727494896694569567,CCCc1[nH]nc2c1C(c1ccc(O)cc1)C(C#N)=C(N)O2,8.454692883534175570568,O=C(O)Cc1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1,7.698970004336019571569,CCOc1nc(NC(C)=O)cc(N)c1C#N,8.958607314841775572570,O=C1C=CC(=O)c2c(O)ccc(O)c21,7.698970004336019573571,O=c1[nH]c2cc(Cl)ccc2c(=O)n1O,6.853871964321762574572,O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1,7.82102305270683575573,O=P(O)(O)C(F)c1ccc2ccc(C(F)P(=O)(O)O)cc2c1,6.886056647693163576574,NNC(=O)NCCCCCC(=O)Nc1ccccc1,6.823908740944319577575,O=C(O)c1c[nH]c2cc(OCCc3ccc(Br)cc3)ccc2c1=O,7.039999923502186578576,Cc1ccc2c(ccn2CCc2c[nH]c3ccccc23)c1,6.886056647693163579577,COc1ccc2c(-c3ccccc3)coc2c1,8.65169513695184580578,CCC1CCCCC1=O,5.920818753952375581579,CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C,8.920818753952375582580,O=C(O)C1CN(CCCP(=O)(O)O)C(=O)CN1,7.494850021680094583581,CC1NC(C)(C)COC1(O)c1cc(Cl)cc(Cl)c1,8.083546051450075584582,CC(C)NC(=O)C1C(=O)N(O)C(=O)c2ccccc21,8.324221658325914585583,CCCCCC1(c2ccccc2)NC(=O)NC1=O,7.4089353929735005586584,O=C(O)COc1cc(C(=O)O)nc2ccccc12,7.6020599913279625587585,O=C(O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1,7.0588586,Cn1c(Br)c(Br)c(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1,7.254378778693061589587,CCN(CC)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1,8.522878745280337590588,COc1ccc2nc(-c3ccc(NC(=O)CC(=O)O)cc3)[nH]c2c1,7.83238732727247591589,Cc1ccc(-c2cc(CC(=O)c3c(O)cc(O)cc3O)[nH]n2)cc1,7.309803919971486592590,CC(C)n1nc(-c2cc(-c3cccnc3)on2)c(C(N)=O)c1N,8.46916022138348593591,O=C(Nc1nc(-c2cccc(Br)c2)cs1)Oc1ccccc1,7.522878745280337594592,COc1cccc(-c2cc3c(nn2)-c2ccccc2C3=O)c1,8.798622906494941595593,COc1nn(-c2cncc(C(C)(C)O)c2)c2ccccc12,8.853871964321762596594,CN1CCC2(c3ccc(O)cc3)CCC1C2,8.137272471682026597595,COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1,7.663540266151471598596,Nc1nccc(-c2c[nH]c3nc(Br)ccc23)n1,8.886056647693163599597,CC[C@H](C)[C@H](N)C(=O)N1CCC1,6.896196279044043600598,Nc1ncnc2n[nH]c(-c3ccccc3)c12,8.065501548756432601599,Nc1c(C(=O)c2ccccc2)cnn1-c1cccc(F)c1,8.382475465113707602600,C[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12,8.821023052706831603601,OC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccccn3)cc21,8.910094888560602604602,O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21,7.5718652059712115605603,O=C1/C(=C/c2ccccc2)SC(=S)N1NS(=O)(=O)c1ccccc1,7.522878745280337606604,O=c1cc(-c2ccccc2)oc2cc(O)c(O)cc12,8.400116927926312607605,CC(O)(C(=O)Nc1ccc(Cl)cc1Cl)C(F)(F)F,8.698970004336019608606,O=C(O)CCCCCC(CS)CCCC(=O)O,8.2839966563652609607,CCCC(C(=O)O)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1,7.99978290702777610608,NC(=O)c1cc(-c2cccc(CO)c2)cc2cc[nH]c12,8.59999938302362611609,COc1ccc(Cn2cc[nH]c2=S)cc1Br,7.079999880484295612610,CC1=CC(=NC(C)C)c2ccccc2C1=O,8.397940008672037613611,O=C(O)CC1CCCC2(CCNC(C(=O)O)C2)C1,8.366733588844575614612,CC1Sc2nnc(-c3n[nH]c4c3CCC4)n2N=C1c1ccc(Cl)c(Cl)c1,8.086186147616283615613,Clc1ccccc1-c1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1,8.823908740944319616614,C[C@@H]1CSC(=O)[C@H]2Cc3ccccc3N2C1=O,7.698970004336019617615,NC(CC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)O,8.698970004336019618616,CC(C)n1nc(-c2ccn3ccnc3c2)c2c(N)ncnc21,8.119186407719209619617,C[C@@H]1CC(=O)Nc2ccccc2N1,7.853871964321762620618,O=C1NO[C@H]2[C@@H]1CN[C@@H]2C(=O)O,7.343901797987168621619,CCCCCCCc1cccc2cncn12,8.481486060122112622620,Cc1cc(=O)n(C)c2ccccc12,7.739928612014925623621,COc1ccc(CC(=O)Nc2ccsc2-c2nc(N)n[nH]2)cc1,8.060480747381382624622,Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1,8.24033215531037625623,CC(c1ccco1)N(O)C(N)=O,7.619788758288394626624,O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2[nH]c1=O,7.8789563072752244627625,O=c1cc(-c2ccccc2)oc2cc(F)ccc12,7.888065723667318628626,CCC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1,8.457797217565972629627,O=C1C=CC(NC(=O)Oc2ccccc2)C1,8.045757490560675630628,C[C@@H](CN)n1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21,8.55284196865778631629,Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C1CCC1,8.823908740944319632630,CS(=O)(=O)c1ccc(/C(=C\c2ccc(O)c(O)c2)C(=O)O)cc1,7.480172006224281633631,CC(C)=CC(=O)Oc1cccnc1C(=O)Nc1nccs1,8.585026652029182634632,O=C(O)C(=O)CC(=O)c1ccc(N2CCOCC2)cc1,7.638272163982407635633,O=C(Cc1csc(NC(=O)COc2ccc(Cl)cc2)n1)NO,8.742321425130816636634,O=C(c1ccccc1C(F)(F)F)N1CCN(c2nccs2)CC1,8.522878745280337637635,O=C(Nc1ncccn1)NC12CC3CC(CC(C3)C1)C2,7.619607839942972638636,C=CCC1(C(=O)O)CCc2c1[nH]c1c(Cl)ccc(Cl)c21,8.920818753952375639637,COc1ccc(-c2nccc(NCc3ccccc3)n2)cc1,7.534617148551582640638,N#Cc1ccccc1Oc1nc(Cl)ncc1NC(=O)C(=O)O,7.573976984310124641639,COc1cccc(NC(=S)Nc2cccc(Cl)c2)c1,7.611543547299734642640,Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(C)(F)F)nc2n1,8.67778070526608643641,O=C(CCCNC(=O)c1cc2c(cn1)[nH]c1ccccc12)NO,8.806875401645538644642,O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,8.227165072760982645643,CCNC(=O)c1cccnc1N1CCN(C)CC1,7.657577319177793646644,Nc1ccc2oc(N3CCN(c4ccc(Cl)cc4)CC3)nc2c1,8.707965564005264647645,CC(=O)Nc1ccc(-c2c[nH]c(=O)c(O)c2)cc1,7.8696662315049934648646,N#Cc1ccc(Oc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1,8.619788758288394649647,C#CCOc1cc(-n2nnc3nn(CC=C)cc3c2=O)c(F)cc1Cl,7.509999358109048650648,Cn1ncc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc21,8.774949303861952651649,C=CC(=O)N1CCC[C@@H](Nc2ncnc3[nH]ccc23)C1,8.853871964321762652650,CN(C)C1CC(c2ccc(Br)cc2)c2ccccc21,8.045757490560675653651,CCCNC(=O)O[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12,5.818156412055227654652,Cc1c(C(=O)O)cc(C(F)(F)F)n1-c1ccccc1,7.657577319177793655653,C=Cn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)ncnc21,9.0656654,COc1ccccc1Nc1nccc(-c2ccc(C(=O)O)cc2)n1,8.40000018605658657655,O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cccc(Cl)c1,8.012333735073724658656,COc1ccc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2)cc1,7.886056647693163659657,N[C@H](Cc1cc(F)ccc1F)c1ccc(-c2ccncc2)cc1,7.1938200260161125660658,CN1CCCCC1CC(=O)c1cccs1,7.982966660701219661659,COc1ccc(Nc2nc(-c3ccccc3F)no2)cc1,8.958607314841775662660,C#CCN(C)Cc1ccc(Cl)cc1Cl,8.036212172654444663661,Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1,8.661543506395395664662,CN1CCC/C1=N\C(=O)Nc1cccc(Cl)c1,8.698970004336019665663,O=C(O)CC[C@@H](O)C(=O)O,7.619788758288394666664,CCC(=O)c1c(C)nc2c(c1N)c1ccccc1n2C,8.795880017344075667665,O=S1(=O)N=C(Nc2ccccc2Cl)Nc2c(O)cccc21,8.2839966563652668666,O=C(O)C1=C(c2ccccc2)c2ccccc2C1=O,7.6020599913279625669667,O=C(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1cc(Br)ccc1O,7.619788758288394670668,N#Cc1cccc2[nH]nc(N)c12,6.522878745280337671669,CC(=O)C1=C(O)C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O,8.995678626217357672670,O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccc2sc(CO)nc2c1,8.541966807503494673671,O=C(O)/C=C\C(=O)N[C@@H](CCC(=O)O)C(=O)O,7.080921907623926674672,CNc1nc(/C=C2\C=Nc3c(Br)cccc32)c(O)n1C,8.96657624451305675673,O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,5.949999401714238676674,COc1cccc(C(=O)c2cnc(Nc3ccccc3)s2)c1,8.910094888560602677675,COc1cc(Sc2c[nH]c3ccccc23)cc(OC)c1OC,8.585026652029182678676,CN(C)CCc1c[nH]c2cc3c(cc12)OCO3,7.39040559077478679677,CN1CCC[C@H]1COC(=O)c1cccc(N)c1,6.318758762624412680678,Cc1ccc([N+](=O)[O-])c(NCCCCN)c1,7.698970004336019681679,Cc1nn(CCCC(=O)O)c(=O)c2noc(C)c12,7.186752699102395682680,CNc1nc(Nc2ccc(F)cc2)c2cn[nH]c2n1,8.108629825303852683681,O=c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12,8.853871964321762684682,Nc1nc(NCCCOc2ccc([N+](=O)[O-])cc2)c(N=O)c(=O)[nH]1,9.0685683,C#Cc1[nH]nc2c1Cc1cc(OC)c(OC)cc1-2,8.289036881004725686684,COc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn23)cc1,7.337242168318426687685,CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,6.301029995663981688686,FC(CNCc1ccc2c(c1)OCO2)=C1CCCCC1,7.889410289700751689687,c1ccc(-c2cnc[nH]2)c(OCCC2CCCC2)c1,8.142667503568731690688,COc1cc(/C=C2\S/C(=N\c3nccs3)NC2=O)cc(OC)c1O,6.912928794093465691689,CCc1cc2c(Nc3nnc(C)s3)ncnc2s1,7.036212172654444692690,O=c1c2ccc(O)c(O)c2oc2cc(O)cc(O)c12,7.221848749616356693691,N#C/C(=C\c1ccc(C(=O)O)cc1)C(N)=S,7.920818753952375694692,CN(Cc1ccccc1)Cc1ccc(C(=O)C(F)(F)F)s1,8.985059650207063695693,Cc1noc(Cn2ccc3ncc(-c4ccc(F)c(C)c4)cc32)n1,8.920818753952375696694,Nc1nc2ccccc2[nH]1,6.698970004336019697695,Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1,7.00436480540245698696,CN1c2ccccc2C(n2cnc([N+](=O)[O-])n2)c2ccccc21,8.931814138253838699697,CC(N)=NCc1cccc(CN)c1,8.10790539730952700698,Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cn1,8.67778070526608701699,Brc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)s1,7.852014679316195702700,c1cncc(-c2n[nH]c3ccccc23)c1,8.909741947068683703701,Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc21,8.602059991327963704702,CNC(Cc1ccccc1N)c1ccc(C)s1,8.2839966563652705703,Cc1cc2c(cc1Cl)NC(=O)CN=C2c1ccccc1F,4.146000198199519706704,CCC(C)N1CCc2ccc3[nH]c(=O)c(=O)[nH]c3c2C1,7.6777807052660805707705,CCCn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O,6.638272163982407708706,O=[N+]([O-])c1ccc(NC(=S)N/N=C/c2ccc(O)cc2)cc1,7.345999715369971709707,O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(Br)cc1,9.0710708,Cc1ccc2c(c1)C1=NN(CC(=O)O)C(=O)CC1CC2,7.197226274708024711709,Oc1ccc(/C=C/c2ccc(O)cc2)cc1,7.598599459218456712710,C#CCN(N)c1ccccc1,7.94692155651658713711,O=C(/C=C1/SC(=O)NC1=O)Nc1cccc(O)c1,7.864867348623225714712,COCc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,8.168578182934978715713,CC(C)n1nc(-c2cccc3[nH]ccc23)c2c(N)ncnc21,8.337242168318426716714,CCOc1ccccc1-c1nc2ccncc2s1,8.040958607678906717715,O=P(O)(O)C(F)(F)c1cccc(C#Cc2ccccc2)c1,6.866780543267506718716,Cc1ccc(-n2sc(=O)n(Cc3cccc(C)c3)c2=O)cc1,8.00436480540245719717,Cc1ccc(Nc2nc(-n3cc(C)nc3C)cs2)cc1,8.204119982655925720718,O=S(c1cccc(C(F)(F)F)c1)c1ccc2nnc(-c3ccccc3)n2n1,8.720105019988361721719,CCOC(=O)c1cc2cc(-c3ccncc3)ccc2[nH]1,6.647817481888637722720,Cc1ccc(/C=N/NC(=O)c2cc3ccccc3oc2=O)cc1,8.958607314841775723721,CN(C)c1cccc2c(S(=O)(=O)Nc3ncc(Cl)cn3)cccc12,8.800000874803203724722,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,7.841637507904751725723,O=C(O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccccn1,7.6020599913279625726724,COc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2c1,7.031517051446065727725,CC(C)C(=O)NCc1ccc(O)c(O)c1,7.619788758288394728726,CN(CC#Cc1ccccc1)Cc1ccc(Br)cc1,7.1487416512809245729727,CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)c(Cl)cc21,4.601999194356185730728,O=C1NCCCC1Cc1ccccc1,5.841637507904751731729,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,8.920818753952375732730,COc1cc2c(cc1Cl)C(c1ccccc1)=NCC2,8.200000237109354733731,O=C1c2ccccc2Cc2c1ccc(O)c2O,8.397940008672037734732,CCCCCSc1ccccc1OC(C)=O,8.301029995663981735733,Cn1c2c(c3ccc(Cl)c(Cl)c31)C(C#N)C1(CCNCC1)NC2=O,8.853871964321762736734,NC(=S)N/N=C/c1cc(CN2CCOCC2)c(N)cn1,7.958607314841775737735,N#Cc1ccc2c(c1)[C@H]1CCC[C@H]1C(N)=N2,7.494850021680094738736,Nc1ccc2oc(=O)c(CN3CCCC3)cc2c1,8.423658649794207739737,N#Cc1c(-c2ccccc2)nc(SCc2ccccc2)[nH]c1=O,8.351639989019068740738,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,8.187086643357144741739,NCCNC(=O)c1ccc(Cl)cc1,5.854959059962976742740,O=c1oc2ccccc2cc1-c1ccsc1,7.876148359032914743741,Nc1nc2c(-c3cccnc3)nccc2[nH]1,7.221848749616356744742,[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,7.576754126063192745743,Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12,8.18045606445813746744,CC(C)Oc1cncc(-c2ccc3nc(N)sc3c2)c1,8.899998417198647747745,COc1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F,8.30900696790013748746,c1ccc(-c2cc3nccnc3[nH]2)nc1,7.275724130399211749747,COc1cccc(Sc2[nH]c3nc(N)nc(N)c3c2C)c1,8.863279432843592750748,COc1ccc(-c2nc(-c3ccnc(N)n3)sc2C(N)=O)c(Cl)c1,7.97469413473523751749,Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1,8.87942606879415752750,O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc(OC(F)(F)F)cc1,8.431798275933005753751,O=C1NS(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])c2c1sc1ccccc21,7.920818753952375754752,Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,8.484788695672199755753,c1cc(-c2nc(N3CCOCC3)c3cccn3n2)c2cn[nH]c2c1,8.958607314841775756754,O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(Cl)c1,9.0757755,COc1nc2c(N(C)C)ncnc2n1Cc1ccccc1,8.268801388729079758756,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,6.847711655616943759757,CCNC(=O)Nc1ccc(C(=O)Nc2ccncc2)cn1,8.455931955649724760758,OC[C@@H]1N[C@H](CO)[C@@H](O)C(O)[C@@H]1O,8.3767507096021761759,CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C\c1cccc(O)c1,8.130768280269024762760,O=NCc1ccccc1-c1ccc2c(c1CN=O)OCO2,6.7447274948966935763761,C=CCOC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O,8.192464971931146764762,N#Cc1ccc(Cn2ccnc2)cc1OCCc1ccccc1,8.154901959985743765763,CCN(C)CCCCC(=O)N(O)CCC(=O)O,7.2076083105017466766764,CCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4cnnc4)cc3n2n1,7.036212172654444767765,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,8.281913705216908768766,CC(C(=O)O)c1nn(C)c2nc(N)[nH]c(=O)c2c1=O,7.703334809738469769767,O=C(CS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1,8.882728704344236770768,Cc1nn(C)c2c(=O)[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc12,8.638272163982407771769,COc1cccc(-c2nc3ccc(N(C)C)cc3c(=O)[nH]2)c1,8.455931955649724772770,COc1ccc2cc(C(=O)/C=C/c3cccnc3)ccc2c1,7.97469413473523773771,Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,6.9299621333922445774772,CC(=O)Nc1ccc(C(=O)/C=C/c2ccccn2)cc1,7.804100347590766775773,N#C[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN,8.795880017344075776774,NC(N)=Nc1cc(Cl)nc(-c2ccccc2)n1,8.221848749616356777775,CO/N=C(\C(=O)NCP(=O)(O)O)c1cccs1,7.6777807052660805778776,O=C(Nc1nnc(C(F)(F)F)s1)C1C(=O)N2c3ccccc3Sc3cccc1c32,8.920818753952375779777,COc1cccc(-c2nnc(-c3ccc(O)cc3O)s2)c1,8.7281583934635780778,C[C@H]1c2[nH]c3cccc(Cl)c3c2C[C@@H]2C(=O)N(C)C(=S)N12,7.333482019445119781779,COc1cc2c3c(n1)C(c1ccccc1)=NCC(=O)N3CC2,7.638272163982407782780,CCSc1ccc(CC(C)N(C)O)cc1,8.80271944187438783781,COc1ccnc(CS(=O)c2nc3ccc(OC(F)(F)C(F)F)cc3[nH]2)c1,8.899998417198647784782,CNC(C(=O)O)c1c(C)o[nH]c1=O,7.73754891026957785783,O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1O,7.906578314837765786784,O=C(Nc1ccncc1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,7.698970004336019787785,COc1ccc(/C=C/C(=O)c2ccncc2)cc1,7.920909241395541788786,O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccccc1,7.797935558433109789787,Oc1ccc(/C=C/c2ccc3ccccc3n2)cc1O,7.0790788,C[C@]12N[C@H](Cc3c1ccc1ccccc31)c1ccccc12,8.236572006437063791789,NC1=NN(c2cccc(C(F)(F)F)c2)CC1,8.886056647693163792790,CC(C)(C)CC1=C(Br)c2nc3ccccn3c2C(=O)C1=O,8.190000154058474793791,Cc1ccc2oc(=O)c(-c3cccc(OCCBr)c3)cc2c1,8.610833915635467794792,Oc1ccc2c(c1)oc1ccccc12,6.045757490560675795793,CC1(N)c2ccccc2-c2[nH]c(=O)c3nccn3c21,8.853871964321762796794,Cc1ccc(Nc2c(C)cc(C)cc2C)c(C)c1,8.657577319177793797795,O=C(Nc1ccc(Cl)cc1)c1ccc2ccccc2c1O,7.431798275933005798796,O=c1[nH]c2cc(Cl)ccc2c2oc3ccccc3c12,8.078833949362261799797,Cc1nn(-c2ccccc2)nc1C(N)=O,6.42021640338319800798,NC(=O)N(O)Cc1ccc(Sc2ccccc2)s1,8.301029995663981801799,CNC(=S)N1CCC(Cc2ccccc2)CC1,6.251811972993799802800,Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,7.920818753952375803801,COc1nc2nc(C(=O)c3ccccc3)cn2c(C)c1OC,9.0804802,CNC[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1,8.431798275933005805803,O=C1NCCN(c2cccc(Br)c2)N1,8.309803919971486806804,COc1cc(-c2[nH]cnc2-c2cccc(C)c2)ccc1O,8.42021640338319807805,C=Cc1ccc(C(=O)OCC)c(NS(=O)(=O)c2ccccc2)c1,8.468521082957745808806,Cc1csc(Cl)c1NC1=NCCN1,8.314258261397736809807,N=C(N)SCCC(=O)O,7.5376020021010435810808,Cc1cccc(Cc2c[nH]c(=O)[nH]c2=O)c1,8.070581074285707811809,CCOc1nc2nc3c(c(N)c2cc1C#N)CCCC3,9.0812810,Cn1nc(N)c2cc(-c3ccccc3)cnc21,7.638272163982407813811,CCCOc1nc(N)nc2nc[nH]c12,7.173925197299173814812,O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,8.854492828590338815813,O=Cc1cc(O)c2c(c1O)C(=O)C=CC2=O,7.552841968657781816814,O=c1[nH]c(SCc2ccc(Cl)cc2)nc2c1CCC2,8.065501548756432817815,NC(=O)N(O)CC1CCCC1,8.259637310505756818816,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,8.373659632624957819817,CC(C)c1ccc2cc(-c3nn[nH]n3)[nH]c2c1,7.522878745280337820818,CC1(C)C=C2C(=NN(c3cccc(C(F)(F)F)c3)C(N)=C2C#N)CO1,8.552921079500512821819,O=C(CCc1ccc(Cl)cc1)N[C@H]1CCOC1=O,8.481486060122112822820,c1nc(N2CCC3(CCCCN3)CC2)c2[nH]cnc2n1,7.327902142064283823821,O=c1cc(-c2ccccc2Cl)oc2c(-c3cncnc3)c(O)cc(O)c12,7.070581074285707824822,COc1c(O)ccc2c(=O)c3ccccc3oc12,7.187086643357144825823,O=C(CC1C(=S)Nc2ccccc21)NCc1ccccc1,7.0826824,Cc1ccc(COc2cc([N+](=O)[O-])ccc2NS(C)(=O)=O)cc1,8.756961951313706827825,O=C1Sc2ccc(Cl)cc2C(=O)N2CCSC12,6.868060704789575828826,O=c1c(O)cccn1Cc1cccc(Cl)c1,8.301029995663981829827,CC(C)CCc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2,8.94692155651658830828,CC12CC3CC1(C)CC3(CN)C2,6.892790030352131831829,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,7.920818753952375832830,O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccn4)cc3n2n1,7.698970004336019833831,Fc1cc(F)cc(Cn2[nH]nnc2=S)c1,8.812479279163536834832,Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c[nH]1)CC2,7.585026652029182835833,C/C(=C\c1ccc(O)cc1)c1cc(O)cc(O)c1,8.749579997691106836834,CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1,7.692503962086787837835,C[C@H](N)C(=O)Nc1cccc(N)n1,7.568636235841013838836,NCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O,7.045757490560675839837,N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1,7.804100347590766840838,COC(=O)CNC(=O)c1sc(-c2ccc(Cl)s2)nc1C,7.651440088193675841839,CN1CCC=C(c2cnc(F)c(-c3ccccc3)c2)C1,7.698970004336019842840,C[C@@H]1CCC/C(=N/Nc2nc(-c3ccc(C#N)cc3)cs2)C1,7.6595558851598815843841,O=C(O)CCc1c(C(=O)O)[nH]c2ccc(Cl)cc12,7.61261017366127844842,C[C@H](c1cccc2ccccc12)n1[nH]c2ccccc2c1=O,8.853871964321762845843,CC1(C)C=CC2=C(O1)C(=O)c1ccc(O)cc1C2=O,8.2580609222708846844,O/C(=C/c1ccccn1)c1ccccc1,5.602059991327962584784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C@@H](O)C2(F)F)cc1Br,7.46852108295774510141012,Cc1nc2ccccn2c1C(=O)Nc1cccc(C(F)(F)F)c1,8.15428198203334110151013,O=C(NNC(=O)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,7.79588001734407510161014,Oc1ccc(Nc2nnnc3sc4c(c23)CCC4)cc1,7.41195250301391710171015,Brc1cccc(/C=C/CSSC/C=C/c2cccc(Br)c2)c1,7.1225710592117810181016,O=C(O)Cc1ccccc1Nc1cccc(Cl)c1Cl,4.010191017,NCCc1c[nH]c2ccc(Cc3nc(N)no3)cc12,8.49999967865706610201018,O=c1[nH]oc(C2CCNCC2)c1Cc1ccccc1,8.39794000867203710211019,Nc1nc2ccccc2c2cc3cnccc3cc12,8.6777807052660810221020,COc1c(C(=O)CC(=O)c2ccccc2)ccc2occc12,8.21896306137886910231021,CCN(Cc1ccccc1)C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],8.28000038087115610241022,Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2,7.79588001734407510251023,N#Cc1cccc2ccccc2c1=O,8.43889861635094410261024,Clc1ccc(-c2cc(-c3nnc4n3N=C(c3ccc(Cl)c(Cl)c3)CS4)[nH]n2)cc1,7.83863199776502510271025,O=C(O)Cc1ccccc1Nc1cccc(Cl)c1Cl,4.010281026,O=C(O)C(=O)CC(=O)c1cccc(-c2ccccc2)c1,8.48945498979338710291027,O=C(/C=C/c1ccc(O)cc1)c1ccccc1,7.51570016065321410301028,O=C(CCCCCOc1cccc(O)c1)C(F)(F)F,8.2992962828549810311029,C[C@H](N)CC(=O)NCC(=O)O,7.55284196865778110321030,COC(=O)c1cc2[nH]c(=O)c(=O)[nH]c2c2c1CN(C)CC2,7.65757731917779310331031,CN1N=C(c2ccc(O)cc2)CC1c1cccc(Cl)c1,8.68402965454308210341032,Cc1c(C(=O)O)sc2[nH]c(=O)n(O)c(=O)c12,8.10237290870955810351033,O=C(NO)c1sc2ccccc2c1Cl,7.4271283977995210361034,Cc1nn(-c2cccc(Cl)c2)c2c1c(=O)n(C)c1ccccc21,9.010371035,Cc1nc(Nc2cnc3ccccc3c2)c2[nH]cnc2n1,7.56863623584101310381036,Cc1cc(/C=C2\CCN(C)C2)on1,7.80410034759076610391037,CC1=CC(C)(C)Nc2c1cc1c(C(F)(F)F)cc(=O)[nH]c1c2C,8.47547406337362510401038,Oc1c(Br)c(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br,8.90308998699194410411039,Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1cc2ccccc2[nH]1,8.88605664769316310421040,COc1ccc(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)cc1,7.49079747766889710431041,O=C1Nc2c(Cl)ccc(OCCO)c2C2(CCCCC2)N1,7.91364016932525210441042,CCCCCC1C(=O)N(O)C(=O)c2ccccc21,8.86966623150499310451043,Cc1cccc(Nc2ncnc3sc4c(c23)CCCC4)c1,8.74714696902010810461044,CC(C)C1c2sccc2CCN1C,8.1079053973095210471045,O=C(O)[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccc(Cl)c(Cl)c2)C1,7.92081875395237510481046,Oc1ccc(-c2ccc(C(O)c3ccncc3)cc2)cc1,8.49349496759512810491047,C=CCNc1nc(N)c(C(=O)c2ccncc2)s1,7.30980391997148610501048,c1nc(N2CCC3(CCCCN3)CC2)c2[nH]cnc2n1,6.9469215565165810511049,CCNC(=S)Nc1cc(-n2ccnc2)nc(C)n1,8.05948351506743210521050,COCN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21,5.633000234611559510531051,O=c1[nH]c2cc3no[n+]([O-])c3cc2[nH]c1=O,8.11918640771920910541052,Oc1ccccc1-c1nc2ncccc2[nH]1,7.43179827593300510551053,CC(C)(C)C1COC(=O)C1,4.88605664769316310561054,CCn1c(=O)n(CC)c2cc(C=O)ccc21,6.85387196432176210571055,COc1ccc(Cn2cc[nH]c2=S)cc1F,7.13000014136547510581056,Nc1nc(N)c([N+](=O)[O-])c(OCc2cccc(F)c2)n1,8.60205999132796310591057,FC1Cc2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc2C1(F)F,9.010601058,O=C1CC(CS)C(=O)N1c1ccc(F)c(F)c1,7.99567862621735810611059,O=C(O)COc1cccc(-c2cc3ccccc3[nH]c2=O)c1,6.99139982823808210621060,O=C(NS(=O)(=O)c1ccc(F)cc1)c1cccnc1Cl,7.54272381393867410631061,Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,6.80354745829661110641062,NCCc1coc2ccc(C(N)=O)cc12,8.13000014136547510651063,Nc1nc2cccnc2n1CC(O)c1cccc(Cl)c1Cl,8.283996656365210661064,NC(N)=NCCC[C@H](N)C(=O)N1CCCC1,8.72124639904717110671065,COc1ccc2c(=O)[nH]c(/C=C/c3ccccc3)nc2c1,8.24412514432750910681066,CC1CCc2c(sc3ncn(N)c(=N)c23)C1,5.90014678011561910691067,COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC,8.04095860767890610701068,O=C(O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O,7.18708664335714410711069,CC(=O)c1sc(Nc2ccc(Br)c(C(F)(F)F)c2)nc1C,8.71534371721148410721070,O=C(O)C1=Cc2ccccc2CC1=O,7.82000035822083910731071,O=C(O)Cc1ccccc1Nc1ccc(Cl)c(Cl)c1,5.14999986772890410741072,Nc1nc(N)c2nc(CCc3cccc4ccccc34)cnc2n1,7.22184874961635610751073,O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc[nH]1,6.57348873863542510761074,C=CCc1cccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c1O,7.69897000433601910771075,NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12,8.124938736608310781076,CCN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S,6.72124639904717110791077,Nc1n[nH]c(N)c1N=Nc1ccncc1,8.87614835903291410801078,O=c1[nH]c2ccc(Cl)cc2cc1CNc1ccc(-n2ccnc2)cc1,8.76700388960784610811079,O=C(NCCS)C(=O)Nc1ccccc1,8.5528419686577810821080,Cc1cc(-c2n[nH]c(CNc3ccc(Cl)cc3)n2)ccn1,8.14874165128092510831081,COC(=O)c1ccc(Cl)nc1N(C)c1ccc(OC)cc1,8.85387196432176210841082,O=C1NC(=O)C2C3c4ccccc4C(c4cccc(Cl)c43)C12,7.95860731484177510851083,O=C1C=C(c2ccc3[nH]ccc3c2)CCC1,7.25181197299379910861084,Clc1ccc2sc(SCc3cn(Cc4ccccc4Cl)nn3)nc2c1,7.69897000433601910871085,CC1=CC(=NC(C)C)c2ccccc2C1=O,8.20065945054641810881086,CSc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1,7.52287874528033710891087,COc1cc(/C=N/Nc2ccc(F)cc2)ccc1O,8.92081875395237510901088,CC1=NC(SCc2ccc(Cl)cc2Cl)=NC(=O)C1,6.6635402661514710911089,C[C@H]1C[C@H]2CSC(N)=NC2(c2cc(C#N)ccc2Cl)CO1,8.6326440789739810921090,CCc1[nH]c(=O)nc2ccc(OC)c(OC)c12,7.744727494896693510931091,NC(=S)NCC(=O)O,7.744727494896693510941092,COc1cc(-c2cc3c(nn2)-c2ccccc2C3=O)ccc1O,8.010951093,CC(=O)c1cccs1,6.82390874094431910961094,CCC1CCCCNC1=O,5.49485002168009410971095,COc1ccc2c(c1)[nH]c1c(C)nccc12,7.744727494896693510981096,COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,7.17587416608345110991097,CC(C)CSc1cccc(OS(C)(=O)=O)n1,5.69897000433601911001098,COc1ccc2c(c1)NC(=O)Cc1c-2[nH]c2ccc([N+](=O)[O-])cc12,9.011011099,Nc1ccc(-n2cnc3ccccc32)cc1,8.69897000433601911021100,O=C(O)CNC(=O)c1cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c[nH]1,8.283996656365211031101,O=C(Nc1ccccc1)c1nc(-c2cccs2)[nH]c(=O)c1O,9.011041102,N[C@H](C(=O)O)[C@H](OCc1ccsc1)C(=O)O,8.91046136877468511051103,Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1,7.80999905193033811061104,N=C(N)c1ccc2nc(-c3ncnc(-c4ccccc4)c3O)[nH]c2c1,8.95860731484177511071105,CC(=O)N(CC(=O)O)c1ccc(C)cc1,7.82390874094431911081106,CCOC(=O)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12,8.93930215964638811091107,O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnco2)cc1,7.92081875395237511101108,O=C(/C=C/c1ccc(CONC(=O)c2ccccc2)cc1)NO,8.97881070093006211111109,O=C(NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(F)cc1,6.33366925569803111121110,COc1ccc(N=Cc2ccc(S(N)(=O)=O)cc2)cc1OC,7.50487211875706711131111,O=C(O)/C=C/c1cc(Br)c(Br)c(Br)c1Br,8.15490195998574311141112,O=c1cc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(F)cc2)cc[nH]1,7.84163750790475111151113,O=[N+]([O-])c1c(O)c(F)c(OCc2ccc(-c3ccccc3)cc2)c(F)c1F,6.69897000433601911161114,COC(=O)Nc1nc2ccc(C(=O)c3cc(CN)cs3)cc2[nH]1,6.92081875395237511171115,CCOC(=O)c1cc(-c2ccc(NC(C)=O)cc2)n[nH]1,4.63827216398240711181116,CC(C)CC(N)P(=O)(O)Oc1ccccc1,8.03151705144606411191117,N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1,7.04575749056067511201118,COc1ccc(NCC(=O)N/N=C/c2ccncc2)cc1,8.43179827593300511211119,COc1ccc2c(c1)OCC(C(=O)c1cc(O)ccc1O)=C2,8.40011692792631211221120,COc1cc(O)c(/C=C\C(=O)O)cc1[C@@H](O)CC(C)C,7.31336373073770711231121,O=C(/C=C(\O)c1cc(O)ccc1O)/C=C/c1cc(O)ccc1O,7.70774392864352411241122,O=C(Cc1ccccc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1,8.011251123,NNC(N)=O,8.17392519729917311261124,NC1=NC(c2ccccc2)Cc2cccc(Cl)c21,8.22184874961635611271125,COc1ccc(CNC(=S)SC[C@H](NC(C)=O)C(=O)O)cc1,5.53165266958784211281126,COc1ccc(-c2cc3cc(Cl)ccc3oc2=O)cc1,8.31785492362616811291127,CCOC(=O)[C@@H](C)NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12,7.283996656365200611301128,C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)cc1)C(F)(F)F,8.79588001734407511311129,O=Cc1cccc(C(=O)Sc2cccc(Cl)c2)n1,7.10237290870955811321130,O=c1[nH]c2cc(Br)c3c(c2[nH]c1=O)CCCN3,8.04575749056067511331131,COc1cc2nc(C)nc(-c3cc(O)cc(O)c3)c2cc1OC,7.62893213772826311341132,CC1(C)CC12CCOC2=O,8.94309514866352711351133,O=C1Nc2ccc(NCC(O)CCl)c3cccc1c23,6.55284196865778111361134,O=C(Nc1ccc(Oc2cc(Br)cc(C(F)(F)F)c2)cc1)c1c(F)cccc1Cl,8.634512015109111371135,CN(C)c1cccc(C(=O)NO)c1,8.80244378684646411381136,Cc1sc2nc(-c3ccc(C(=O)O)cc3)[nH]c(=O)c2c1C,8.79588001734407511391137,Nc1n[nH]c(N)c1N=Nc1cccc(O)c1,7.25181197299379911401138,CNc1c(C(=O)OC)c(C)nc2c1c1ccccc1n2C,7.76700388960784611411139,CCn1cnc2ccc3nc(C(=N)OC(C)C)sc3c2c1=O,8.36653154442041311421140,CCCC(=O)Nc1n[nH]c2cc(-c3cc(F)cc(F)c3)ccc12,7.86012091359876311431141,Cc1cccc(C23SCCN2C(=O)c2ccccc23)n1,8.38721614328026511441142,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-],8.06550154875643211451143,O=C(O)c1cc2cccc(O)c2oc1=O,7.22468087817052211461144,NC(CCCC(=O)O)C(=O)O,7.88605664769316311471145,NC(=S)Nc1ccccc1,8.74472749489669411481146,CCc1ccc(Br)c(S(=O)(=O)Nc2onc(C)c2C)c1,7.56863623584101311491147,Nc1nc(N)c2c(COc3ccc(F)cc3F)cccc2n1,8.69897000433601911501148,Cc1cc(=O)c(O)cn1-c1ccc(-n2cncn2)cc1,8.6187143048721211511149,Cn1c(N)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1,7.76955107862172611521150,Cn1ccc2cc[nH]c2c1=O,7.36855623098682811531151,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O,8.38721614328026511541152,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnc(Cl)cc1C(F)(F)F,8.011551153,Cc1o[nH]c(=O)c1[C@@H](N)C(=O)O,8.43179827593300511561154,NCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O,7.04575749056067511571155,O=C(NO)c1cc2cccc(Cl)c2s1,8.53610701101409211581156,CCOC(=O)N/N=C/c1ccc(O)cc1,7.36653154442041411591157,Cc1nc(-c2ccc(P(=O)(O)O)o2)c(CC(C)C)o1,8.22184874961635611601158,O=C(O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl,5.14999986772890411611159,N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(=O)O,7.207608310501746611621160,CCOP(=S)(OCC)SCc1ccncc1,7.62069448224941811631161,O=C1N=c2ccccc2=C1c1sc(Nc2ccc(O)cc2)nc1O,7.85387196432176211641162,CC(=O)OCc1cccc(-n2sc3cc(F)ccc3c2=O)c1,8.63827216398240711651163,COc1cc(-c2cc(=O)c3cc(O)ccc3o2)cc(OC)c1OC,7.58502665202918211661164,CN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1,8.13894375542312611671165,O=C(O)C1CCCNC1,8.22184874961635611681166,CS(=O)(=O)c1ccc(S(=O)(=O)n2cc(CC(=O)O)c3ccsc32)cc1,8.39794000867203711691167,Cc1[nH]nc2c1N=C(c1ccc([N+](=O)[O-])cc1)CNC2=O,7.51570016065321411701168,CCc1nccc2c1[nH]c1ccccc12,6.60201945906779411711169,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,8.14999986772890311721170,NC(=O)c1cccc2c(NCc3cc(F)c(F)c(F)c3)ncnc12,8.79588001734407511731171,c1ccc(-c2cnc(NCc3ccco3)c3cncn23)cc1,8.66154350639539511741172,O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,7.22184874961635611751173,CC(=O)OCC(=O)O,5.95860731484177511761174,O=c1cc(N2CCOCC2)oc2c(-c3cccs3)csc12,8.283996656365211771175,O=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccon3)s2)c1,8.19997064075586711781176,COc1cccc(N2C(=O)C=CC2=O)c1,8.1804560644581311791177,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,8.1079053973095211801178,O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1-c1nn[nH]n1,7.69897000433601911811179,CN(CCC[C@H](N)C(=O)O)/C(=N/O)NO,6.91009488856060211821180,O=C(NCc1ccncc1)Nc1nc(-c2ccncc2)cs1,8.68402965454308211831181,O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12,7.86550414416532611841182,O=C(O)CNC(=O)C(=O)O,7.32276408957357911851183,Cc1ncc(COP(=O)(O)O)c(C2NC(C(=O)O)CS2)c1O,7.13682589633994811861184,CC(C)Cc1ccc(C(C)C(=O)O)cc1,6.54057852673222311871185,O=C(CCCCCONC(=O)c1cc(Br)cc(Br)c1)NO,8.76321090059070711881186,CN1CCCc2[nH]c3ccccc3c2C1,8.14874165128092511891187,Oc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,7.92002327636740211901188,COc1ccc2oc(C(CN)CC(=O)O)cc2c1,8.251811972993811911189,O=C1NCCc2c1cc(-c1ccncc1)n2CCO,8.48148606012211211921190,CSc1nn(-c2ccc(Cl)cc2C)c2nc(C)[nH]c(=O)c12,7.13076828026902411931191,O=c1c2cccnc2sn1Cc1ccc(Cl)cc1,8.70996538863748211941192,O=C(O)COc1ccc(N=Nc2ccc3cc(Br)ccc3c2O)cc1,7.09691001300805611951193,COc1ccc(-c2[nH]c3nccnc3c2CCCCl)cc1,8.52287874528033711961194,C=CCN1C(=O)c2cccn2S(=O)(=O)c2ccccc21,8.39794000867203711971195,Cc1ncn(-c2ccc(Cl)cc2)c1-c1c(F)ccc(Cl)c1F,7.9172146296835511981196,COC(=N)c1cccc(C(=N)OC)n1,6.69897000433601911991197,C(#Cc1[nH]nc2ncccc12)c1cccnc1,8.04575749056067512001198,N=C(N)N1CCC(C(CS)C(=O)O)CC1,8.508638306165727

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