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CID
int64
8
172M
SMILES
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3.78k
SELFIES
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3
9.88k
91,087,679
C=CCCCO[C@@H]1OC(COC(C)=O)[C@@H](O[C@@H]2OC(COC(C)=O)[C@H](O[C@H]3OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C3OC(C)=O)[C@H](OC(C)=O)C2OC(C)=O)[C@H](OC(C)=O)C1OC(C)=O.C=CCCCO[C@@H]1OC(COCc2ccccc2)[C@@H](O[C@@H]2OC(COCc3ccccc3)[C@H](O[C@H]3OC(COCc4ccccc4)[C@H](C)[C@@H](OCc4ccc(OC)cc4)C3OCc3ccccc3)[C@@H](OCc3ccccc3)C2OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1
[C][=C][C][C][C][O][C@@H1][O][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch2][=Branch1][=C][O][C@@H1][O][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@H1][Branch2][Ring2][#Branch2][O][C@H1][O][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring2][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Branch1][O][O][C][Branch1][C][C][=O].[C][=C][C][C][C][O][C@@H1][O][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch2][Branch2][Branch1][O][C@@H1][O][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Branch1][Branch1][O][C@H1][O][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][C@@H1][Branch1][#C][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][#Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Branch1][#Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][#Branch1][#Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
161,038,230
CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1.CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(CO)cc1OC
[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][S].[C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][#Branch2][O][C]
115,916,029
Cc1nc(Sc2cc(N)nc(-c3ccccc3)n2)n[nH]1
[C][C][=N][C][Branch2][Ring1][#Branch1][S][C][=C][C][Branch1][C][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][=N][NH1][Ring2][Ring1][Ring1]
146,146,004
Nc1ncnc2c1ncn2CCC(=O)N(Cc1ccccc1)CC(O)c1ccco1
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1]
61,246,110
Cc1cc(C(C)NC(CO)CC(C)C)c(C)s1
[C][C][=C][C][Branch1][P][C][Branch1][C][C][N][C][Branch1][Ring1][C][O][C][C][Branch1][C][C][C][=C][Branch1][C][C][S][Ring1][S]
55,363,237
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1
[O][=C][Branch2][Ring1][C][C][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]
157,109,053
C=C(Nc1ccc(C)c(C(=O)Nc2cnc(Cc3cccc(N)c3)nc2)c1)c1cccc(N(C)C)c1
[C][=C][Branch2][Ring2][N][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][N][=C][Ring1][=C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2]
71,522,032
COc1ccc(NC(=O)Cn2nc3c(c2C)N(C)S(=O)(=O)c2ccccc2-3)c(OC)c1
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][N][N][=C][C][=Branch1][Branch1][=C][Ring1][Branch1][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N]
118,219,914
Cc1cccc(-c2ccc3c(c2)Oc2cccc4c2P3(=O)c2ccc(-c3cccc(C)n3)cc2O4)n1
[C][C][=C][C][=C][C][Branch2][Branch1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Ring1][O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][=N][O][Ring2][Ring1][C][=N][Ring2][Ring2][Ring1]
135,129,055
C=C(OC(C)(C)C)N(CC1(O)CCN(Cc2ccccc2)CC1)C1CC1
[C][=C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][N][Branch2][Ring1][Branch2][C][C][Branch1][C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][C][C][Ring1][Ring1]
113,932,074
CCCC1(O)CN(C(=O)C2CCCC2C(=O)O)C1
[C][C][C][C][Branch1][C][O][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][Ring1][#C]
160,751,256
Cn1cc(N)nc1C(=O)Cc1ccccc1
[C][N][C][=C][Branch1][C][N][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
15,726,289
CCCC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
[C][C][C][C][C@H1][O][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][#C][O]
166,082,538
O=C(N[C@@H]1CCOC1)c1ccc(N2CCNCC2)nc1
[O][=C][Branch1][=Branch2][N][C@@H1][C][C][O][C][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][N]
107,448,709
COCCONC1CCCC(C(C)C)C1
[C][O][C][C][O][N][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2]
6,680,327
C[C@H]1[C@@H](CN(C)[C@@H](C)[C@H](O)c2ccccc2)OC(c2ccc(CNC(=O)c3ccc4c(c3)C(=O)OC4=O)cc2)O[C@H]1c1ccc(CO)cc1
[C][C@H1][C@@H1][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Branch1][O][C@H1][Ring2][Ring2][Branch2][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2]
94,032,798
O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)C[C@H]2CCCO2)CC1
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C@H1][C][C][C][O][Ring1][Branch1][C][C][Ring1][=C]
22,052,241
CCOC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][O][C][C]
157,731,276
CC1COc2cnc(Cl)nc2N1C.COc1cc(N)ccc1-c1ccnc(C)c1.COc1cc(Nc2ncc3c(n2)N(C)C(C)CO3)ccc1-c1ccnc(C)c1
[C][C][C][O][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][Ring1][O][C].[C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1].[C][O][C][=C][C][Branch2][Ring1][Branch2][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][C][C][C][Branch1][C][C][C][O][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1]
160,533,939
C=C(C)[C@H]1CC[C@H]2[C@@H]3[C@H]4OC(C)(C)O[C@@H]4[C@H]4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C
[C][=C][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C@H1][C][C@@H1][Branch1][C][C][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][P][C][C][C@][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1][C]
160,129,847
C#C[C@@H]1CCc2cc([C@H]3CC[C@]4(COC(=O)N4)C3)ccc2C1.C#C[C@H]1CCc2cc([C@H]3CC[C@]4(COC(=O)N4)C3)ccc2C1
[C][#C][C@@H1][C][C][C][=C][C][Branch2][Ring1][Ring1][C@H1][C][C][C@][Branch1][#Branch2][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=C][Ring1][S][C][Ring2][Ring1][Ring2].[C][#C][C@H1][C][C][C][=C][C][Branch2][Ring1][Ring1][C@H1][C][C][C@][Branch1][#Branch2][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=C][Ring1][S][C][Ring2][Ring1][Ring2]
170,023,261
Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)CO)C2c3ccccc3CC23CC3)cc1
[C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][P]
70,397,586
CCCCCCC1(C=C(F)F)C=CC(c2ccccc2)=CC1
[C][C][C][C][C][C][C][Branch1][#Branch1][C][=C][Branch1][C][F][F][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][S]
119,959,641
CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC(N)C2)c1
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][N][C][Ring1][#Branch1][=C][Ring1][S]
25,244,586
CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-]
[C][C][=Branch1][C][=O][S][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][O][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C][Ring1][S][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]
63,796,538
O=C(Cc1cccc2ccccc12)c1sccc1Br
[O][=C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][S][C][=C][C][=Ring1][Branch1][Br]
144,830,746
CN(N)C(=O)N(N)c1cnn(C)c1COc1ccn(-c2ccc(Cl)cc2)n1
[C][N][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][N]
141,869,556
CCCCN(CCC)CCC1(c2ccccc2)CCN(C(=O)c2cc(SC)ccc2OC)C1
[C][C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][O][C][C][Ring2][Ring1][#Branch1]
120,721,541
CC(=O)Nc1cc(S(=O)(=O)NCC2=CCNCC2)ccc1C
[C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][N][C][C][Ring1][=Branch1][=C][C][=C][Ring1][P][C]
67,257,046
COc1cc(C=CCc2ccccc2)ccc1O
[C][O][C][=C][C][Branch1][N][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O]
145,839,028
CCC1CN(C(=O)NC2CCC2)CC1c1cnc2cnc3[nH]ccc3n12
[C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][C][C][Ring1][N][C][=C][N][=C][C][=N][C][NH1][C][=C][C][=Ring1][Branch1][N][Ring1][N][Ring1][=Branch2]
80,941,623
CCc1nc(NC)cc(-n2ccc(C(F)(F)F)n2)n1
[C][C][C][=N][C][Branch1][Ring1][N][C][=C][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring1][P]
100,437,900
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C
[C][C][C@@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
159,249,365
CC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1.CCOc1ccc(CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1.O=C(O)CN(CCN(CC(=O)O)CC(COP(=O)(O)OC1CCC(c2ccccc2)(c2ccccc2)CC1)N(CC(=O)O)CC(=O)O)CC(=O)O.O=C(O)CN1CCN(CC(=O)O)CCN(C(CO)C(O)CO)CCN(CC(=O)O)CC1
[C][C][Branch1][C][O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2].[C][C][O][C][=C][C][=C][Branch2][Ring2][P][C][C][Branch2][Ring1][=N][C][N][Branch2][Ring1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring2][C].[O][=C][Branch1][C][O][C][N][Branch2][=Branch1][#Branch1][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Branch2][Ring2][Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O].[O][=C][Branch1][C][O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][N][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][O]
121,677,242
CC1CN(C(=O)c2cccc(OC(F)(F)F)c2)CC(C)N1
[C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][Branch1][C][C][N][Ring2][Ring1][Ring2]
125,697,527
CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1
[C][C][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C@@H1][C@H1][Branch1][Branch1][C][Ring1][=Branch1][=O][C@H1][C][=C][C@H1][Ring1][Branch2][C][Ring1][Branch1]
66,886,102
COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)[C@](CC(C)(C)C(=O)N(C)C(=O)OC(C)O[N+](=O)[O-])(C(C)(C)C)C[C@@H]3c3ccc(COCCOC)cc3)cc21
[C][O][C][C][C][N][C][C][O][C][=C][C][=C][Branch2][=Branch1][#C][C][O][C@H1][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O][C@][Branch2][Ring1][S][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][O][N+1][=Branch1][C][=O][O-1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][=C][C][=C][C][=C][Branch1][#Branch1][C][O][C][C][O][C][C][=C][Ring1][N][C][=C][Ring2][Branch1][C][Ring2][Branch1][=Branch1]
91,350,006
CC(C)(C)OC(=O)NCC1CCC(CNC(=O)c2cc(N3CCC(CCN4CCCC4)CC3)nc3ccccc23)CC1
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring2][N][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1][C][C][Ring2][Ring1][P]
133,581,447
Cc1cccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)SC3CCCCC32)c1
[C][C][=C][C][=C][C][Branch2][Branch1][Ring2][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=C][=C][\C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P][S][C][C][C][C][C][C][Ring1][=Branch1][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2]
162,037,810
CC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.CC(C)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.CC(C)c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc12.CC(C)c1ccc(-n2c3ccccc3c3ccccc32)c2ccccc12.CC(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)c1ccc2sc3ccccc3c2c1.CC(C)c1cccc2c1sc1ccccc12
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C].[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2].[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring2][Ring1][=N][Ring1][=Branch1].[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1].[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][Ring1].[C][C][Branch1][C][C][C][=C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][=N].[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
160,940,377
c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1ccc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.c1ncc2cc[nH]c2n1
[C][=C][C][NH1][C][=C][C][=Ring1][Branch1][C][=N][Ring1][=Branch2].[C][=C][C][C][=C][NH1][C][=Ring1][Branch1][C][=N][Ring1][=Branch2].[C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2].[C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2].[C][=N][C][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring1][=Branch2]
163,189,848
COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
[C][O][C][=C][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][=C][Ring1][O][O][C@H1][O][C@@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O]
71,716,082
COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
[C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C]
51,169,417
COC(=O)c1ccccc1S(=O)(=O)N(C)Cc1ccc(F)cc1
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
159,464,912
CC(C)(c1cccc(-c2[c-]c(F)nc(F)c2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1cc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]c(F)n1.Cc1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.Cc1nc[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)c1F.Cc1nc[c-]c(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
[C][C][Branch1][C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][C][=C-1][C][Branch1][C][F][=N][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring1][=C][C][=C][C][=C][C][Branch2][Ring1][C][N][C-1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring1][#C].[C][C][=C][C][Branch2][Ring2][S][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][C][N][C-1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring1][#C][=N][Ring2][Ring1][Branch2][=C-1][C][Branch1][C][F][=N][Ring2][Ring1][#C].[C][C][=C][C][=C-1][C][Branch2][Ring2][S][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][C][N][C-1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring1][#C][=N][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=C].[C][C][=N][C][=C-1][C][Branch2][Ring2][S][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][C][N][C-1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring1][#C][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C][F].[C][C][=N][C][=C-1][C][Branch2][Ring2][S][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][C][N][C-1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring1][#C][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C][F].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
100,782,519
C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCc2cccnc2)n1
[C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][S][N][C][=Branch1][C][=S][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1]
156,206,229
CCOc1cc(-c2cnc(C3CCc4ccc(C(C5CC5)[C@H](C)C(=O)O)cc4O3)c(C)n2)c(F)cn1
[C][C][O][C][=C][C][Branch2][Branch1][Ring1][C][=C][N][=C][Branch2][Ring2][Ring2][C][C][C][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][#C][O][Ring2][Ring1][Ring1][C][Branch1][C][C][=N][Ring2][Ring1][#Branch2][=C][Branch1][C][F][C][=N][Ring2][Ring1][P]
88,401,489
CCO/N=C(\C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSc3nc(N)cc(N)[n+]3-c3ccc(C)cc3C)CS[C@H]12)c1csc(N)n1
[C][C][O][/N][=C][Branch2][Branch1][=N][\C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=N][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N+1][Ring1][Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][S][C@H1][Ring2][Ring1][=C][Ring2][Ring1][O][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1]
121,656,383
CC1NCCCC1NC(=O)Nc1ccc(OC(F)(F)F)cc1
[C][C][N][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]
67,218,368
O=C(Nc1ccncc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
[O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=N][Ring1][=C]
8,115,475
COc1ccc(C2=NN(CN3C(=O)C(=O)c4ccccc43)[C@H](c3ccccc3Cl)C2)cc1
[C][O][C][=C][C][=C][Branch2][Ring2][O][C][=N][N][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
23,509,623
CC1(C)OC(=O)Nc2ccc(-c3coc(C=O)c3)cc21
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][=C][O][C][Branch1][Ring1][C][=O][=C][Ring1][#Branch1][C][=C][Ring1][=N][Ring2][Ring1][Ring1]
168,887,815
Cn1c(N2CCC2)nc2nc(C3CCOC(c4cnn(C5CC5)c4)C3)nc(-c3ccc(F)cc3F)c21
[C][N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][=N][C][=N][C][Branch2][Ring1][=Branch2][C][C][C][O][C][Branch1][#C][C][C][=N][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Ring1][Branch2][C][Ring1][=C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][N][Ring2][Ring2][Ring1]
114,875,577
CCC(C)CC(=O)N1CCCC(CNC)C1
[C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring2][C][N][C][C][Ring1][=Branch2]
70,950,304
CCOC(=O)C1C(c2ccc(-c3ccccc3OCC)cc2)C(C#N)=C(F)N1C
[C][C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=C][Ring1][#C][C][Branch1][Ring1][C][#N][=C][Branch1][C][F][N][Ring2][Ring1][#Branch1][C]
31,225,463
CCCCn1nc(C)cc1NC(=O)Cn1cc(-c2ccc(C)nn2)cn1
[C][C][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][C][=N][Ring1][N]
113,307,658
CC(C)(CN)C(=O)NC(CO)Cc1ccccc1
[C][C][Branch1][C][C][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
5,047,566
Cc1ccc(S(=O)(=O)C2CCCCC2=NO)cc1
[C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=N][O][C][=C][Ring1][P]
20,229,151
CNNS(=O)(=O)Cl
[C][N][N][S][=Branch1][C][=O][=Branch1][C][=O][Cl]
88,070,710
CC(C)C[C@@H](C(=O)NN(CCO)C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1
[C][C][Branch1][C][C][C][C@@H1][Branch2][Ring2][=C][C][=Branch1][C][=O][N][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][O][C][C][C][C][C][O][Ring1][=Branch1]
140,834,113
CC1(c2cccc(F)c2)OC(NC(=O)c2ccccc2)=C(O)C1=O
[C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][Ring2][Ring1][=Branch1][=O]
93,153,935
COc1ccc(OC)c([C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][#Branch1][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][S]
27,784,979
Cc1ccccc1[C@@H](C)NC(=O)c1cccc(S(C)(=O)=O)c1
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2]
50,808,674
O=C(Nc1ccc(Br)cc1)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S]
146,630,339
C[C@H](NCc1ccc(Cl)cc1Oc1ccc(-c2cnc(CN(C)C)n2C)cc1)C(=O)N1[C@H](C(N)=O)COC1(C)C
[C][C@H1][Branch2][Ring2][=Branch2][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][P][C][=C][N][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][N][Ring1][=Branch2][C][C][=C][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Ring1][Branch2][Branch1][C][C][C]
140,356,491
CN(C(=O)CNC(N)=S)c1ccc(Cl)cc1C(=O)c1ccccc1Cl
[C][N][Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][N][=S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
112,416,863
CN=C(NCCNS(=O)(=O)c1cccs1)NCc1coc(-c2ccc(C)cc2)n1
[C][N][=C][Branch2][Ring1][Ring1][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][N]
161,032,409
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(-c5c(C)cc(OC(C)(C)C#N)cc5C)ccc(F)c43)ccc21.COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(B5OC(C)(C)C(C)(C)O5)ccc(F)c43)ccc21.Cc1cc(OC(C)(C)C#N)cc(C)c1Br.Cc1cc(OCC#N)cc(C)c1Br
[C][O][C][=Branch1][C][=O][C][C@@H1][C][O][C][=C][C][Branch2][Ring2][#C][O][C@@H1][C][C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][C][C][C][=C][Branch1][O][O][C][Branch1][C][C][Branch1][C][C][C][#N][C][=C][Ring1][=N][C][C][=C][C][Branch1][C][F][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C].[C][O][C][=Branch1][C][=O][C][C@@H1][C][O][C][=C][C][Branch2][Ring2][=Branch2][O][C@@H1][C][C][C][=C][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][=C][C][Branch1][C][F][=C][Ring1][S][Ring2][Ring1][Ring1][=C][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=N].[C][C][=C][C][Branch1][O][O][C][Branch1][C][C][Branch1][C][C][C][#N][=C][C][Branch1][C][C][=C][Ring1][=N][Br].[C][C][=C][C][Branch1][Branch1][O][C][C][#N][=C][C][Branch1][C][C][=C][Ring1][O][Br]
130,366,295
CC(C)c1csc(N2CCN(C(=O)O)CC2)n1
[C][C][Branch1][C][C][C][=C][S][C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][=N][Ring1][=C]
165,617,558
CC(C)C(C(=O)O)c1nn(C)c2ccccc12
[C][C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
8,906,518
CCOC(=O)C1=C(C[NH+](Cc2ccc(F)cc2)C2CC2)NC(=O)N[C@H]1c1ccco1
[C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][NH1+1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][N][C@H1][Ring2][Ring1][Ring2][C][=C][C][=C][O][Ring1][Branch1]
112,560,043
O=c1c2ccccc2cnn1CC(O)CCl
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][#Branch2][C][C][Branch1][C][O][C][Cl]
164,592,006
COc1cc(S(C)(=O)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
[C][O][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@@H1][N][C@@H1][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C@@][Branch1][S][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Ring2][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F]
157,989,668
CC(C)c1cc2cc(Cl)c(Cl)cc2s1.CC(C)c1cc2cc(Cl)ccc2s1.CC(C)c1ccc2cc(Cl)ccc2n1.CC(C)c1ccc2ncc(Cl)cc2c1.CC(C)c1cn2cc(Cl)ccc2n1.CC(C)c1cn2cc(I)ccc2n1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccc(Cl)cc2c1.CC(C)c1nc2cc(Cl)ccc2s1.COc1ccc2nc(C(C)C)cn2c1.Cc1ccc2cc(C(C)C)sc2c1.Cc1ccc2nc(C(C)C)cn2c1.Cc1ccc2sc(C(C)C)cc2c1
[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][Ring1][O].[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2].[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][O].[C][C][Branch1][C][C][C][=C][C][=C][N][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][O].[C][C][Branch1][C][C][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2].[C][C][Branch1][C][C][C][=C][N][C][=C][Branch1][C][I][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2].[C][C][Branch1][C][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2].[C][C][Branch1][C][C][C][=C][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][O].[C][C][Branch1][C][C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2].[C][O][C][C][=C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][N][Ring1][Branch2][C][=Ring1][N].[C][C][=C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][C][Ring1][Branch2][=C][Ring1][N].[C][C][C][=C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][N][Ring1][Branch2][C][=Ring1][N].[C][C][=C][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Ring1][Branch2][=C][Ring1][N]
140,277,639
CCC1(N)Cc2ccccc2C1(O)CC
[C][C][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Branch1][C][O][C][C]
68,916,637
COC(=O)C[C@@H]1O[C@@H](c2cccc3ccccc23)c2cc(Cl)ccc2-n2cccc21
[C][O][C][=Branch1][C][=O][C][C@@H1][O][C@@H1][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Ring1][Branch1][Ring2][Ring1][=Branch2]
28,491,769
Nc1ccc2c(c1)C(=O)N(CC(=O)N1CCOCC1)C2=O
[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S][=O]
4,499,611
O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N(Cc1ccccc1)Cc1ccccc1
[O][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][Ring1][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
115,252,499
COc1cc(C)cc(C)c1CNCC(CN)C(C)C
[C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][N][C][C][Branch1][Ring1][C][N][C][Branch1][C][C][C]
118,907,824
CN1C(c2ccccc2)=c2sc3ccccc3c2=NC1c1cccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)c1
[C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][C][Ring2][Ring1][Ring1][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#C]
169,367,142
NC(CCl)=Nc1ccc(Oc2cc(C(F)(F)F)cc(Cl)n2)cc1
[N][C][Branch1][Ring1][C][Cl][=N][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][Cl][=N][Ring1][O][C][=C][Ring2][Ring1][C]
45,241,641
CN(C(=O)c1ccsc1)C(Cc1ccccc1F)C1CCN(Cc2cccc(OCCO)c2)CC1
[C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][N][Branch1][S][C][C][=C][C][=C][C][Branch1][Branch1][O][C][C][O][=C][Ring1][#Branch2][C][C][Ring1][P]
132,611,065
COc1ccc(SC(C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1
[C][O][C][=C][C][=C][Branch2][Ring2][C][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
88,896,007
C=C/C(=C\C=C\[C@H]1CC[C@@H](Cl)[C@@H]1CCCCCCCO)C(O)CCCCC
[C][=C][/C][=Branch2][Ring1][=Branch1][=C][\C][=C][\C@H1][C][C][C@@H1][Branch1][C][Cl][C@@H1][Ring1][=Branch1][C][C][C][C][C][C][C][O][C][Branch1][C][O][C][C][C][C][C]
115,232,650
COC(=O)CNc1cc(C(C)C)ccc1OC
[C][O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][O][C]
46,483,577
COc1ccccc1C(C)N(C)C(=O)CCc1nnc(-c2ccc(C)cc2)o1
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][Ring1][N]
67,933,042
CCO[Si]1(OCC)CCC(C)(C)C(C)(C)O1
[C][C][O][Si][Branch1][Ring2][O][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=N]
221,426
CCCCCCCCCCCCCCCCCC(=O)NNc1ccccc1
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
154,691,597
COc1ccc2oc(/C=C/C=C/c3ccc(N)nc3F)cc2c1
[C][O][C][=C][C][=C][O][C][Branch1][P][/C][=C][/C][=C][/C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][F][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1]
56,266,244
Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
[C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N]
59,325,032
CCOC(=O)c1ccn(Cc2cccc(OC)c2)c1-c1ccccc1
[C][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
102,260,449
COC(C)(C)OO[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O
[C][O][C][Branch1][C][C][Branch1][C][C][O][O][C@H1][O][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][#C][O]
25,369,046
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3c[nH]c4ccccc34)C2)c(C)c1
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][C@@H1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][P][C][Branch1][C][C][=C][Ring2][Ring1][=N]
117,058,993
CC(NC(=O)CC#N)C(=O)OCc1ccccc1
[C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][C][#N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
93,137,867
CCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1C
[C][C][C][N][C][=Branch1][C][=O][C@@H1][C][O][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S][N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
105,331,176
CCC(CC)CC(CC(C)C(C)(C)C)NN
[C][C][C][Branch1][Ring1][C][C][C][C][Branch1][=C][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][N][N]
82,975,165
CC1CCCC(C)N1Cc1cc(Br)ccc1O
[C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
165,348,612
COC1=C(O)C(C)(C)OC1=O
[C][O][C][=C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][Branch2][=O]
79,682,548
Cc1cc(Cl)c(CSCC(O)CO)c(Cl)n1
[C][C][=C][C][Branch1][C][Cl][=C][Branch1][#Branch2][C][S][C][C][Branch1][C][O][C][O][C][Branch1][C][Cl][=N][Ring1][#C]
16,364,665
CCOC(=O)CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
[C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][S]
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Size of downloaded dataset files:
12.6 GB
Size of the auto-converted Parquet files:
12.6 GB
Number of rows:
119,009,905