benchmark_csv/ic_50_subset.csv

,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