CID
int64
8
172M
SMILES
large_stringlengths
1
3.78k
SELFIES
stringlengths
3
9.88k
53,219,861
Cc1ccc(C)c(-c2cc(O)cc(C#N)c2)c1
[C][C][=C][C][=C][Branch1][C][C][C][Branch1][S][C][=C][C][Branch1][C][O][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=C][Ring1][S]
106,993,098
COCC(C)OCC(O)CSC(=N)N
[C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][O][C][S][C][=Branch1][C][=N][N]
86,661,132
Cn1cc(/C(CC(c2cccc(C(=O)NCCO)c2)c2ccc(Cl)cc2F)=N\O)ccc1=O
[C][N][C][=C][Branch2][Ring2][#Branch2][/C][Branch2][Ring2][Ring2][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][\O][C][=C][C][Ring2][Ring1][#C][=O]
129,803,335
O=C(C(c1ccccc1Cl)n1cncn1)C(c1ccccc1Cl)n1cncn1
[O][=C][Branch2][Ring1][Ring2][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=N][C][=N][Ring1][Branch1]
70,081,092
CC(NS(=O)(=O)c1ccsc1)c1ccccc1
[C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
63,390,198
ClCCC1CCCN(c2nc3ccccc3[nH]2)C1
[Cl][C][C][C][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][#C]
130,055,107
COc1cccc([C@@H](N)C2CCC2)c1F
[C][O][C][=C][C][=C][C][Branch1][O][C@@H1][Branch1][C][N][C][C][C][C][Ring1][Ring2][=C][Ring1][N][F]
65,678,766
CCCC1(C(=O)O)CCN(C(=O)NC2CC=CCC2)C1
[C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][=C][C][C][Ring1][=Branch1][C][Ring1][P]
69,631,529
O=C(O)c1ccc(NCc2nc(-c3ccc(C(=O)Nc4ccc(C5CCCCC5)cc4)cc3)cs2)cc1
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][P][N][C][C][=N][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1][=C][S][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][C]
81,395,368
CCOc1cccc(N)c1C(=O)Nc1ccc(C)cc1F
[C][C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][F]
25,287,772
COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C@@H1][Branch2][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][=O]
16,548,714
CC(C)(C)c1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch2]
83,005,769
CC(C)Oc1cc(NC2CCCCC2C)ccc1[N+](=O)[O-]
[C][C][Branch1][C][C][O][C][=C][C][Branch1][O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][=C][N+1][=Branch1][C][=O][O-1]
135,306,692
CC(C)(C)S(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1
[C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][N][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1]
80,830,655
CCCNc1ncnc(NCC(O)C2CC2)c1CC
[C][C][C][N][C][=N][C][=N][C][Branch1][N][N][C][C][Branch1][C][O][C][C][C][Ring1][Ring1][=C][Ring1][=N][C][C]
7,248,880
CCOc1cc2c(cc1OCC)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2
[C][C][O][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][O][C][C][C@H1][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1]
170,600,202
CC.Cc1nc2n(n1)-c1cc(F)cc(N)c1N(C)C2
[C][C].[C][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][=C][C][Branch1][C][F][=C][C][Branch1][C][N][=C][Ring1][Branch2][N][Branch1][C][C][C][Ring1][=C]
130,848,652
CCNC(CC)C(C)(C)O
[C][C][N][C][Branch1][Ring1][C][C][C][Branch1][C][C][Branch1][C][C][O]
171,130,613
O=C(C=Cc1cc(F)ccc1F)N1CCn2nc3c(c2C1)CCC3
[O][=C][Branch1][#C][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][N][C][C][N][N][=C][C][=Branch1][#Branch1][=C][Ring1][Branch1][C][Ring1][=Branch2][C][C][C][Ring1][#Branch1]
112,886,738
CN(c1ccccc1)c1nccc(NCC2CCCO2)n1
[C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][Ring1][=N]
43,387,526
Cc1ccc(C(=O)NCC(=O)NCC(=O)O)cc1C
[C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][C]
140,525,768
CCN(CC)c1cc(C)cc(N(c2cccc3c2C2(OC(=O)c4ccccc42)c2ccccc2O3)C(F)(F)F)c1
[C][C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][Ring1][N][Branch2][Ring2][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring2][Ring1]
136,940,345
CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)C2c1ccc(C(=O)O)cc1
[C][S][C][=N][N+1][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
66,141,656
Cc1cc(C(O)c2cncn2C2CC2)cs1
[C][C][=C][C][Branch1][P][C][Branch1][C][O][C][=C][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][#C]
1,923,492
N#C[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2nc1N1CCOCC1
[N][#C][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1]
80,066,921
COc1ccc(Cc2nc(CCCN)n[nH]2)cn1
[C][O][C][=C][C][=C][Branch1][#C][C][C][=N][C][Branch1][Branch1][C][C][C][N][=N][NH1][Ring1][=Branch2][C][=N][Ring1][S]
24,789,088
CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2c(c1)/C(=C/N1CCCCC1)C(=O)N2
[C][C][Branch1][C][C][C][N][Branch2][Ring2][Ring2][C][C][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][O][C][O][C][C][C][Ring1][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][#Branch2][=C][/N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C]
142,833,778
CC[C@@H](C=O)NC(=O)CC(C)(C)C
[C][C][C@@H1][Branch1][Ring1][C][=O][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C]
59,720,383
CCCCCCCCCCCCC1c2cc(-c3ccc(CCCCCC)s3)ccc2-c2cc3c(cc21)c1ccc(-c2ccc(-c4ccc(-c5ccc6c7cc8c(cc7n(CCCCCCCCCCCC)c6c5)c5ccc(-c6ccc(CCCCCC)s6)cc5n8CCCCCCCCCCCC)s4)s2)cc1n3CCCCCCCCCCCC
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][#Branch1][C][C][C][C][C][C][S][Ring1][O][=C][C][=C][Ring1][P][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2][C][=C][C][=C][Branch2][Branch2][=Branch1][C][=C][C][=C][Branch2][#Branch1][O][C][=C][C][=C][Branch2][=Branch1][S][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][N][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][C][C][C][C][C][C][C][C][C][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][#Branch1][C][C][C][C][C][C][S][Ring1][O][C][=C][Ring1][P][N][Ring2][Ring2][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][S][Ring2][Branch1][N][S][Ring2][Branch1][P][C][=C][Ring2][=Branch1][#Branch1][N][Ring2][=Branch1][N][C][C][C][C][C][C][C][C][C][C][C][C]
146,154,049
O=C([O-])CCCC(=O)NCCc1ccccc1.[Na+]
[O][=C][Branch1][C][O-1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Na+1]
66,892,399
C=CC[C@H](Oc1cccc(Cl)c1C)C1CCNC1
[C][=C][C][C@H1][Branch1][=C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][N][C][Ring1][Branch1]
116,862,801
CNc1cc(C#N)nc(-c2ccc3nc[nH]c3c2)n1
[C][N][C][=C][C][Branch1][Ring1][C][#N][=N][C][Branch1][=C][C][=C][C][=C][N][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][Ring1][P]
81,595,790
CCOC(=O)CN(C)c1cccnc1C(N)=S
[C][C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][N][=S]
142,805,242
C/C=C(\CC)C(c1ccccc1)c1ccc(NC)cc1
[C][/C][=C][Branch1][Ring1][\C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][N][C][C][=C][Ring1][Branch2]
142,108,205
NC(=O)CSc1cc[nH+]cc1
[N][C][=Branch1][C][=O][C][S][C][=C][C][=NH1+1][C][=C][Ring1][=Branch1]
52,702,678
CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cc(F)ccc2Br)cc1
[C][C][O][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br][C][=C][Ring2][Ring1][Branch2]
133,958,687
CCN1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccc(C)s2)CC1
[C][C][N][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1]
108,002,249
Cc1cccc(C)c1C(O)c1ccc(Br)cc1
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
44,450,302
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O
[C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring2][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][P][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][=C][#C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch2][S][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][S][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
139,083,399
Nc1c2ccccc2[nH+]c2ccccc12.Nc1c2ccccc2[nH+]c2ccccc12.O.O.O.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Zn+2]
[N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=NH1+1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1].[N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=NH1+1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1].[O].[O].[O].[O][=C][Branch1][C][O-1][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=N][Ring1][=Branch2].[O][=C][Branch1][C][O-1][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=N][Ring1][=Branch2].[Zn+2]
108,529,513
CN(C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
[C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2]
4,057,375
CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3cccs3)C(=Nc3ccccc3)S2)cc1
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N]
80,846,070
Nc1ncc(Br)c(NCC2CCOCC2)n1
[N][C][=N][C][=C][Branch1][C][Br][C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][#C]
58,294,572
Cn1c(=O)[nH]c2cc(C(=O)N3CCCC4c5ccccc5C[C@@H]43)ccc21
[C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][=Branch2][Ring1][=N][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][=Branch2]
153,300,962
COC(=O)[C@]1(C)CCCN1C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C
[C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C]
40,760,647
C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1
[C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C]
113,490,273
COc1ccccc1NC(C)(CO)CC1CCC1
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][Branch1][Ring1][C][O][C][C][C][C][C][Ring1][Ring2]
166,962,178
c1ccc(C2=NC(c3ccc4c(c3)sc3cc(-c5cccc6oc7cc(-n8c9ccccc9c9ccccc98)ccc7c56)ccc34)=NC(c3ccccc3)N2)cc1
[C][=C][C][=C][Branch2][#Branch1][=N][C][=N][C][Branch2][=Branch1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=C][C][Branch2][Ring2][=N][C][=C][C][=C][C][O][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][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch2][=Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring2][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Branch1][Ring1][C][=C][Ring2][Branch1][=Branch2]
63,672,616
CCNCCOc1ccc(F)cc1C#N
[C][C][N][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N]
25,696,890
CC[C@H](c1nnnn1CCOC)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1
[C][C][C@H1][Branch1][N][C][=N][N][=N][N][Ring1][Branch1][C][C][O][C][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][O][C][C][O][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1]
69,451,011
O=C(Nc1ncnc2sc(C(=O)O)cc12)c1ccc(F)c(Cl)c1
[O][=C][Branch2][Ring1][=Branch1][N][C][=N][C][=N][C][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Ring1][N][=Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]
129,271,010
CN(C)/C=C1/CN(C=O)CCC1=O
[C][N][Branch1][C][C][/C][=C][/C][N][Branch1][Ring1][C][=O][C][C][C][Ring1][Branch2][=O]
101,537,011
C=CCCC(=O)c1c(CC=C)[nH]c(C(=O)OCC)c1C(=O)OCC
[C][=C][C][C][C][=Branch1][C][=O][C][=C][Branch1][Ring2][C][C][=C][NH1][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][=N][C][=Branch1][C][=O][O][C][C]
120,830,446
CNC(C)CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.Cl
[C][N][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][#C].[Cl]
65,060,187
CC(C(=O)O)N(C)C1CCCS(=O)(=O)C1
[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch1][C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2]
65,723,068
CC(C)n1c(C2Cc3ccccc3N2)nc2cnccc21
[C][C][Branch1][C][C][N][C][Branch1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
162,818,800
CC(C)C[C@@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@H](Cc2ccc(O)cc2)N=C(O)[C@@H]2CSSC[C@@H]3N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@@H]4CSSC[C@H](N=C(O)[C@H](C)N=C(O)[C@H]([C@@H](C)O)N=C(O)CN=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc5ccccc5)N=C(O)[C@H](CSSC[C@H](N=C(O)[C@@H]5CCCN5C1=O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H]([C@@H](C)O)C(O)=N[C@@H](C(C)C)C(O)=NCC(O)=N4)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H]([C@@H](C)O)N=C3O)C(O)=NCC(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CO)C(O)=N2
[C][C][Branch1][C][C][C][C@@H1][N][=C][Branch1][C][O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Branch1][C][O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Branch1][C][O][C@@H1][C][S][S][C][C@@H1][N][=C][Branch1][C][O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][=C][Branch1][C][O][C@@H1][C][S][S][C][C@H1][Branch2][#C][#Branch2][N][=C][Branch1][C][O][C@H1][Branch1][C][C][N][=C][Branch1][C][O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][=C][Branch1][C][O][C][N][=C][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=N][O][N][=C][Branch1][C][O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][=C][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][O][C@H1][Branch2][#Branch1][Ring1][C][S][S][C][C@H1][Branch2][Ring1][C][N][=C][Branch1][C][O][C@@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Branch2][O][=O][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=N][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C][Branch1][C][O][=N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][O][=N][C][C][Branch1][C][O][=N][Ring2][Branch2][Branch1][N][=C][Branch1][C][O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=N][O][N][=C][Branch1][C][O][C@H1][Branch1][Ring1][C][O][N][=C][Branch1][C][O][C@H1][Branch1][Ring1][C][O][N][=C][Branch1][C][O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][=C][Ring2][#Branch2][=C][O][C][Branch1][C][O][=N][C][C][Branch1][C][O][=N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][O][=N][Ring2][N][#Branch2]
57,934,790
COCCN1CCN(C(C)C)CCC1=O
[C][O][C][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][Ring1][#Branch2][=O]
74,767,537
COc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2OC)cc1OC
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring2][O][C]
11,815,015
c1cc2cc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COCc1cccc(c1)COC2
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring2][=Branch1][=Branch1]
140,687,531
CCCCCCc1ccsc1-c1ccnc(/C([NH-])=C/C(=N)C(F)(F)F)c1.O=CO/C=C(/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C(=C/OC=O)C(F)(F)F)ccn3)n2)c1)C(F)(F)F.[N-]=C=S.[Ru+2]
[C][C][C][C][C][C][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=N][C][Branch2][Ring1][C][/C][Branch1][C][NH1-1][=C][/C][=Branch1][C][=N][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#C].[O][=C][O][/C][=C][Branch2][Branch1][=Branch2][/C][=C][C][=N][C][Branch2][Ring2][=N][C][=C][C][Branch1][=Branch1][/C][=C][/O][C][=O][=C][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][/C][=Branch1][Branch1][=C][/O][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#C][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S][C][Branch1][C][F][Branch1][C][F][F].[N-1][=C][=S].[Ru+2]
167,144,469
c1ccc(-c2ccc(N(c3ccccc3)c3cc4c5cccc(-c6cccc7c6oc6ccccc67)c5oc4c4ccccc34)c3ccccc23)cc1
[C][=C][C][=C][Branch2][=Branch1][S][C][=C][C][=C][Branch2][Branch1][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Ring2][Ring1][Ring1][O][C][Ring2][Ring1][=Branch1][=C][C][=C][C][=C][C][=Ring2][Ring1][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring2][#C][Ring1][=Branch1][C][=C][Ring2][Branch1][Branch1]
137,478,836
CC/C=C\C(C)COC(=O)C(C)CCCC/C=C/CC
[C][C][/C][=C][\C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][/C][=C][/C][C]
126,172,631
C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(OC)c1OC
[C][=C][C][C][=C][C][Branch2][Ring1][=N][/C][=C][\C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][S][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C]
90,113,415
COc1ccc2ncc(OCCN3CCC(C(N)=O)CC3)nc2c1
[C][O][C][=C][C][=C][N][=C][C][Branch2][Ring1][Ring1][O][C][C][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
164,998,779
CCCCc1nc2c(N)nc3ccc(N4CCN(CCOCCC(=O)Oc5c(F)c(F)cc(F)c5F)CC4)cc3c2n1CCCCNC(=O)Nc1cccc(C#N)c1.CCCCc1nc2c(N)nc3ccc(N4CCN(CCOCCC(C)=O)CC4)cc3c2n1CCCCCCC(=O)Cc1cccc(C#N)c1
[C][C][C][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][C][Branch2][Ring2][=Branch2][N][C][C][N][Branch2][Ring1][=N][C][C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F][C][C][Ring2][Ring1][Branch2][=C][C][Ring2][Ring1][=C][=C][Ring2][Ring2][Ring1][N][Ring2][Ring2][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2].[C][C][C][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][O][C][C][O][C][C][C][Branch1][C][C][=O][C][C][Ring1][=C][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=Branch2][N][Ring2][Ring1][N][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]
165,649,898
CC1(C)[C@@H](CN)[C@@H]1c1c(O)cc(O)cc1O
[C][C][Branch1][C][C][C@@H1][Branch1][Ring1][C][N][C@@H1][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O]
45,490,275
O=c1[nH]c2cc(C(F)(F)F)ccc2n1Cc1ccco1
[O][=C][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][Ring1][=N][C][C][=C][C][=C][O][Ring1][Branch1]
54,570,986
CCCCCN(C(=O)c1cc(OC)c(OC)cc1CCN(C)CC(O)CC(C#N)(c1ccc(OC)c(OC)c1)C(C)C)C(C)(C)C
[C][C][C][C][C][N][Branch2][Branch1][=N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][N][Branch1][C][C][C][C][Branch1][C][O][C][C][Branch1][Ring1][C][#N][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]
126,583,222
CC#CCC(C)C1=NC=CC(c2ccc(-c3ccccc3)cc2)=C(CCN(C)C2CC2)C1
[C][C][#C][C][C][Branch1][C][C][C][=N][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Branch1][N][C][C][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch2]
163,720,502
c1ccc(-c2ccc(-c3ccc(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)cc3)cc2)cc1
[C][=C][C][=C][Branch2][=Branch1][Ring1][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=C][C][=C][Branch2][Ring2][O][N][Branch2][Ring1][Ring2][C][=C][C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2][C][=C][C][=C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2][C][=C][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][=N]
130,641,887
N[C@H](c1ccc(Br)cc1F)C1CC1
[N][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][C][C][Ring1][Ring1]
80,915,028
CCC1CCCC(Nc2cccc(NN)c2[N+](=O)[O-])C1
[C][C][C][C][C][C][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Ring1][N][N][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][C]
86,945,473
CC(NC(=O)C(Oc1ccccc1)c1ccccc1)c1nc(-c2ccncc2)cs1
[C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O]
58,738,588
CC(C)c1c(Br)c(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1Br
[C][C][Branch1][C][C][C][=C][Branch1][C][Br][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][P][Br]
132,142,432
Cc1cc(S(=O)(=O)Nc2cscn2)ccc1N(C)C1CCN(Cc2ccccc2)C1.O=C(O)C(F)(F)F
[C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][S][C][=N][Ring1][Branch1][=C][C][=C][Ring1][#C][N][Branch1][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
358,220
COc1ccc(C(Cl)=C(C=O)c2ccc(OC)c(OC)c2)cc1OC
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][O][C]
43,900,786
CCOc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCC2CCCO2)S(C)(=O)=O)c1
[C][C][O][C][=C][C][=C][C][Branch2][Ring2][Branch2][N][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=C]
44,099,116
CCOc1ccc(CN2CC(c3noc(-c4ccc(OC)cc4)n3)CC2=O)cc1
[C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][C][C][Branch2][Ring1][=Branch1][C][=N][O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][=N][C][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][#Branch2]
38,276,748
CCOc1ccccc1C(=O)Nc1ccc(C)c2ncccc12
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
18,519,075
CCOc1ccc(CC(C(=O)O)N2C(=O)c3ccccc3C2=O)cc1
[C][C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=Branch1]
89,418
c1ccc(CC(C2=NCCNN2)c2ccccc2)cc1
[C][=C][C][=C][Branch2][Ring1][Branch1][C][C][Branch1][=Branch2][C][=N][C][C][N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
59,530,751
O=C(COc1ccc(Cl)cc1)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2
[O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C@H1][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C@H1][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1]
24,829,536
CCc1ccc(Cc2nsc3cc4c(cc23)[C@]2(OC4)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
[C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][=N][S][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@][Branch1][Branch1][O][C][Ring1][#Branch1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][N][O][C][=C][Ring2][Ring1][=N]
102,827,800
CCCNC(c1cc(Br)c(C)s1)C1COc2ccccc21
[C][C][C][N][C][Branch1][=C][C][=C][C][Branch1][C][Br][=C][Branch1][C][C][S][Ring1][#Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
76,382,523
CON=C(c1ccccc1)c1cccc(CNc2ccc(C3CC3C(=O)O)cc2)c1
[C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][=C][C][=C][Branch1][O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O][C][=C][Ring1][N][=C][Ring2][Ring1][Ring2]
169,812,045
CCc1cc(C(F)(C(C)(C)F)C(C)(P)P)cc(Cl)c1-n1cc(-c2cc(C(=O)N(CC)C3CC3)c(C#N)s2)nn1
[C][C][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][F][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][F][C][Branch1][C][C][Branch1][C][P][P][=C][C][Branch1][C][Cl][=C][Ring1][P][N][C][=C][Branch2][Ring1][N][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][Ring1][Ring1][=C][Branch1][Ring1][C][#N][S][Ring1][#C][N][=N][Ring2][Ring1][Ring2]
168,382,590
C=C/C(=N/Nc1ccc(=O)n(CCC)c1)c1ccc(CS(C)(=O)=O)cc1F
[C][=C][/C][=Branch2][Ring1][Ring1][=N][/N][C][C][=C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][F]
73,963,298
COC(=O)C(C(=O)OC)[C@H](C)[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C(N)=O
[C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][N][=O]
117,859,287
CCc1nc2ccc(Cl)cn2c1C(=O)NCc1csc(-c2ccc(OC(F)(F)F)cc2)n1
[C][C][C][N][=C][C][=C][C][Branch1][C][Cl][=C][N][Ring1][#Branch1][C][=Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=N][Ring1][S]
108,188,010
CCOC(=O)C1CCCC(Nc2cc(C)cnc2Cl)C1
[C][C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch1][=C][N][C][=C][C][Branch1][C][C][=C][N][=C][Ring1][#Branch1][Cl][C][Ring1][#C]
140,524,286
CC(Cl)(c1ccccc1)C1(Br)CC(Br)(Br)C(Br)(Br)C(Br)(Br)C1(Br)Br
[C][C][Branch1][C][Cl][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Br][C][C][Branch1][C][Br][Branch1][C][Br][C][Branch1][C][Br][Branch1][C][Br][C][Branch1][C][Br][Branch1][C][Br][C][Ring1][=N][Branch1][C][Br][Br]
170,098,939
COc1ccc(COC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3c(C)ccc(OC/C(N)=C/N(N)C(C)C)c3[C@H]2CN2Cc3ccccc3C2=O)c(OC)c1
[C][O][C][=C][C][=C][Branch2][=Branch1][=Branch1][C][O][C][=Branch1][C][=O][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][C][C][=C][C][Branch1][P][O][C][/C][Branch1][C][N][=C][/N][Branch1][C][N][C][Branch1][C][C][C][=C][Ring1][P][C@H1][Ring2][Ring1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][Branch1][Ring1][O][C][=C][Ring2][Branch1][Ring2]
126,081,772
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)C1=O
[C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][S][/C][=Branch2][Ring1][P][=C][/C][=C][C][Branch1][C][I][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2][=O]
140,304,259
CN(C)c1ccccc1C(O)(c1cccc(C(F)(F)F)c1)C(F)(F)F
[C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]
157,754,019
CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc34)n2)cc1
[C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][Branch2][Ring2][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S][Ring2][Branch1][#Branch2].[C][=C][C][=C][Branch2][#Branch1][=Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][=Branch1][Ring1][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=C][C][=C][Branch2][Ring2][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch1][=N][Ring2][Branch1][C][C][=C][Ring2][Branch1][Branch2].[C][=C][C][=C][Branch2][#Branch1][=Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][=Branch1][Ring1][C][=C][C][=C][C][Branch2][Branch1][#Branch1][C][=C][C][=C][C][Branch2][Ring2][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S][=C][Ring2][Ring2][=Branch1][=N][Ring2][Branch1][C][C][=C][Ring2][Branch1][Branch2].[C][=C][C][=C][Branch2][#Branch1][Ring2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Branch1][=C][C][=C][C][=C][C][=C][C][Branch2][Ring2][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch2][=C][C][=C][Ring2][Ring2][Ring2][Ring2][Ring1][S][=N][Ring2][Ring2][S][C][=C][Ring2][Branch1][=Branch1]
161,062,383
CC(=O)N[C@H]1C(O)[C@@H](O)C(CO)O[C@H]1OCCCCCC(=O)NCCCCC(CC(=O)C(CCCCNC(=O)CCCCCO[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1C)NC(=O)CCCCCO[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1C)C(=O)NCCCCCC(=O)CCCCCCCOP(=O)(O)C(C)C
[C][C][=Branch1][C][=O][N][C@H1][C][Branch1][C][O][C@@H1][Branch1][C][O][C][Branch1][Ring1][C][O][O][C@H1][Ring1][#Branch2][O][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][=Branch1][#Branch2][C][C][=Branch1][C][=O][C][Branch2][Ring2][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][O][C@@H1][O][C][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C][Branch1][C][O][C@@H1][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][C][C][O][C@@H1][O][C][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C][Branch1][C][O][C@@H1][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][C][Branch1][C][C][C]
81,897,947
CNC(C)c1ccc(N(Cc2cccs2)C2CC2)nc1
[C][N][C][Branch1][C][C][C][=C][C][=C][Branch1][P][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][S]
67,443,197
CC1(C)Oc2ccc(Nc3nc(Nc4ccc(N5CCOCC5)c(F)c4)ncc3F)nc2N(COP(=O)(O)O)C1=O
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=N][C][=C][Ring2][Ring1][Ring2][F][N][=C][Ring2][Ring1][N][N][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Ring2][Ring2][#Branch1][=O]
155,437,209
Nc1ncc(Br)c(OC2CCC2)c1F
[N][C][=N][C][=C][Branch1][C][Br][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][N][F]