SELFIE
stringlengths 3
558
| SMILES
stringlengths 1
101
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|---|---|
[C][C][=C][C][Branch2][Ring2][=C][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][Branch2][F][=C][C][Branch1][C][C][=N][Ring2][Ring1][S]
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Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccc(O)cc4O)cn(C4CC4)c3c2F)cc(C)n1
|
[C][=C][C][=C][Branch2][Ring1][=N][C][N][C][O][C][C][C][C][C][Branch1][=N][C][C][Ring1][Branch1][C][Ring1][Branch2][C][Ring1][Ring2][Ring1][O][C][Ring1][=Branch2][Ring1][N][C][=C][Ring2][Ring1][Ring2]
|
c1ccc(CNC23OC4C5C6CC(C7C6C4C72)C53)cc1
|
[C][C][=N][N][Branch2][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring2][Ring1][N][Ring1][Branch2]
|
Cc1nn(CCCC(=O)N2CCc3ccccc3C2)c(=O)c2cc3sccc3n12
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][=C]
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O=C(O)C(=O)CC(=O)c1cccc(Cc2ccccc2Cl)c1
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][Branch2][=N][N][=C][Branch1][C][N][N][C][=C][Branch1][C][C][C][=C][N][=C][Ring1][#Branch1][C][Ring1][S]
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COc1ccccc1C1CC(=NN=C(N)N)c2c(C)ccnc2C1
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][Cl][C][=C][C][Branch1][Ring1][C][=O][=C][Branch1][C][O][C][=C][Ring1][=Branch2][Ring1][=C]
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CS(=O)(=O)N1CC(CCl)c2cc(C=O)c(O)cc21
|
[C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][Cl][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]
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CN(C(=S)NC(=O)C1(C)CC1(Cl)Cl)c1ccccc1
|
[C][C][Branch1][C][C][N][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=N][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][S]
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CC(C)Nc1c(C2=NCCN2)cnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12
|
[C][C][C][C][C][=Branch1][C][=O][O][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][S][Ring1][#Branch1]
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CCCCC(=O)ON=C1c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
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CCN(CC)C(=O)CNC(=O)Cc1ccc(Cl)cc1
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[C][O][C][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][O][=C][Ring1][O][C][C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][O]
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COc1c(C)cc(C(C)=O)c(O)c1CC=C(C)CCC(=O)O
|
[C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][C][=C][N][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][Ring1][O][C][Ring2][Ring1][C]
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CC(=O)N1CCCC(Cc2cnc(-n3ccnc3)cn2)C1
|
[C][N][C][C][C][Branch2][Ring1][S][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2]
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CN1CCC(c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CC1
|
[O][=C][Branch2][Ring1][O][C][N+1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Ring1][N][C][C][C][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
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O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)N1c2ccccc2Sc2ccccc21
|
[O][=C][Branch2][Ring1][#Branch2][O][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]
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O=C(OCCCN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][N][C][C][Ring1][S]
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CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(N)CC2
|
[C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
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CCC(C)(C)NC(=O)Cn1nc(C)nc1-c1ccccc1
|
[C][C][=C][C][=C][C][Branch2][Ring2][N][C][=Branch1][C][=O][N][C][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P][C][=Branch1][C][=O][O][=C][Ring2][Ring1][#C][Cl]
|
Cc1cccc(C(=O)NC(Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)c1Cl
|
[C][C][C][Branch1][C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]
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CCC(C)(C)n1nnnc1C(c1cccs1)N1CCc2ccccc2C1
|
[C][O][C][=C][N][=C][Branch2][=Branch1][=C][C][=C][C][=C][Branch2][=Branch1][C][C][N][C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][Branch1][#Branch2][S][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][=O][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch2][N][=C][Ring2][Ring2][S]
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COc1cnc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCC5Cc6ccccc6N5C(C)=O)ccc43)cc2)nc1
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch1][C][Branch1][C][C][C][O][C][C][Branch1][C][C][C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][Ring2][Ring1][=C]
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Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C(C)CO)CC(C)C(CN(C)C(=O)Nc1ccc3c(c1)OCO3)O2
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=Branch2][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][O][=C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][=Branch2]
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COC(=O)c1ccc(C(NC(=O)OCc2ccccc2)C(=CC(C)C(=O)NCc2ccc(OC)c(O)c2)c2cccnc2)cc1
|
[N][C][=Branch1][C][=O][C][=C][N][Branch1][P][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
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NC(=O)c1cn(OC2OC(CO)C(O)C2O)c2ncnc(N)c12
|
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][Ring2][Ring1][=Branch2]
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COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccc(F)cc3)CC1)C2
|
[C][N][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][#N][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
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CNC(=O)N(CCC#N)CCCN(C(=O)N(C)C)c1ccccc1
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[C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=Ring2][Ring1][C][Ring2][Ring1][Branch1]
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CC(C)(C)n1ncc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)cnc21
|
[N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][S+1][Branch1][C][O-1][C][C][Ring1][=C][O]
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Nc1c2c(nc3ccccc13)C[S+]([O-])CC2O
|
[C][C][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][=O][C][C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][Ring1][=N][C][Ring2][Ring1][Branch2]
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CCc1cc2c(c3c1CCCC3=O)CC1(Cc3ccc(C(=O)OC)cc3C1)C2
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=C][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2]
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COc1cccc(-c2cc(-c3ccc(NC(C)=O)cc3)c(C#N)c(=O)[nH]2)c1
|
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]
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Cc1nn(C)c(C)c1NC(=O)CNc1cccc(CC(F)(F)F)c1
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[C][C][Branch1][C][C][C][Branch1][Ring1][C][O][N][C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][Branch1][F]
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CC(C)C(CO)NCc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1F
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[F][C][=C][C][=C][C][Branch2][Ring1][O][C][=C][Branch1][C][Cl][C][=N][C][NH1][C][Branch1][=Branch2][C][C][C][C][N][C][Ring1][=Branch1][=C][C][Ring1][S][=Ring1][O][=N][Ring2][Ring1][=Branch1]
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Fc1cccc(-c2c(Cl)cnc3[nH]c(C4CCCNC4)cc23)n1
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[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][C][C][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O][N][Ring2][Ring1][=N][C][C][=C][Ring2][Ring2][#Branch1]
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COC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CCC(O)CC(O)CC(=O)O)n2C)cc1
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[C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][Ring1][P][C][Branch1][C][F][=C][Ring2][Ring2][Branch1]
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COc1ccc(-c2nn(C(C)(C)C)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(F)c1
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[C][N][C][C][N][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][N][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=N]
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CN1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc([N+](=O)[O-])cc43)cc2)CC1
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[N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P]
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Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1
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[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][#Branch1][N][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch2][C][=N][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C]
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Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)COc3cccc4cccnc34)c2C)c1
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[C][O][C][=C][C][=C][Branch2][Ring2][S][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring2][C]
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COc1ccc(C(CNC(=O)Nc2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1
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[C][O][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][N][Ring2][Ring1][C][C][=Branch1][C][=O][C][=C][NH1][C][=N][Ring1][Branch1]
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COCCC1CN(C(=O)c2cccc3ccccc23)CCN1C(=O)c1c[nH]cn1
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[C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][C][C][Ring1][#C]
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CC(CN1CCCC1)C(=O)N1CCC(c2nccn2CC2CC2)CC1
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[C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
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CN(CCc1ccccn1)c1cccc2c1nc(-c1cccnc1)n2CCNCc1ccccc1
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[C][C][N][C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][N][=C][Ring2][Ring1][C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
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CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1Cl
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[C][O][C][=C][C][=C][NH1][C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][Ring1][=C][=C][Ring2][Ring1][C]
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COc1ccc2[nH]c(C(=O)c3ccccc3F)cc2c1
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[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1]
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CCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1ccccn1
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[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][S][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=Branch2][N][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring2][Ring2]
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N=C(N)c1ccc(CNC(=O)C2CCCN2C(=O)C(NCCC(=O)O)C(c2ccccc2)c2ccccc2)s1
|
[C][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1]
|
Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)OCCO2
|
[C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][S][Ring1][=Branch2][=Branch1][C][=O][=O][C][=C][Ring1][P]
|
Cc1ccc(C2=CS(=O)(=O)CCCS2(=O)=O)cc1
|
[O][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][N][C][C][C][C][C][C][C][C][C][C][C][Ring1][=Branch1]
|
O=C1C(=O)c2ccccc2C(O)=C1CCCCCC1CCCCC1
|
[C][O][C][=C][C][=C][C][C][Branch1][O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][NH1][C][Ring1][P][=Ring1][=N]
|
COc1cccc2c(C=Cc3cccnc3)c[nH]c12
|
[C][C][C][N][Branch2][Ring1][#Branch1][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][NH1][Ring1][Branch2][C][C][N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2]
|
CC1CN(Cc2c[nH]nc2-c2nc(C(=N)N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1
|
[C][C][C][=N][N][=C][Branch1][#Branch2][N][=C][S][S][N][=C][Ring1][Branch1][Cl][S][Ring1][N]
|
CCc1nnc(N=c2ssnc2Cl)s1
|
[C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][Ring2][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CN1C(=O)NC(c2cccnc2)C(C(=O)c2cccs2)C1(O)C(F)(F)F
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][N][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][Ring2][Ring1][C][N][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][Ring2][Ring1][C]
|
O=S(=O)(NS(=O)(=O)N1CCc2ccc(C(F)(F)F)c(C(F)(F)F)c2C1)N1CCc2ccc(C(F)(F)F)c(C(F)(F)F)c2C1
|
[N][C][=C][N][N][=C][Branch2][Ring2][Ring1][C][=C][N][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][C][=C][C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][O]
|
Nc1cn2nc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2n1
|
[C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][Ring2][O]
|
CCc1cc(Cl)c(OC)c(C(=O)NCC2CCCN2CC)c1O
|
[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]
|
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(I)cc1
|
[C][S][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C]
|
CSCCC(NC(=O)NCc1ccc(N)cc1)C(=O)N1CCCC1c1ccccc1SC
|
[C][C][=N][O][C][Branch2][Ring2][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=N][C]
|
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc2)c1C
|
[C][C][Branch2][Ring2][Branch2][N][C][=C][C][Branch2][Ring1][O][N][C][=N][C][=C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=N][Ring1][#C][=C][C][=N][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CC(Nc1cc(Nc2nccc(-c3cccc(C(=O)O)c3)n2)ccn1)c1ccccc1
|
[C][C][Branch1][C][C][C][C][=N][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][S][=C][Branch1][C][O][C][Ring2][Ring1][=Branch1]
|
CC1(C)CC2=NCN(Cc3ccc4c(c3)OCO4)CC2=C(O)C1
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][C][C][N][C][C][C][C][Ring1][=Branch1][O]
|
O=c1c2ccccc2ncn1CCCC1NCCCC1O
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][N][C][=Branch1][C][=O][C][C][=N][NH1][C][=Ring1][Branch1][N][=C][Ring1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1]
|
COc1ccc(-n2cnn3c(=O)c4cn[nH]c4nc23)cc1
|
[O][=C][Branch2][Ring1][Branch1][N][N][C][=Branch1][C][=O][C][C][S][C][Ring1][#Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
O=C(NN1C(=O)CCSC1Cc1ccco1)c1ccncc1
|
[C][=Branch2][Ring2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][O][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
C(=Nc1ccc(CCc2ccc(N=Cc3ccccc3)cc2)cc1)c1ccccc1
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][Branch1][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][C][=C][Ring2][Ring1][C]
|
COc1ccc(CNc2c(C)nn(C(C)C)c2C)cc1
|
[C][C][=C][S][C][Branch2][Ring1][N][N][N][C][=Branch1][C][=O][C][NH1][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=N][Ring2][Ring1][=Branch1]
|
Cc1csc(NNC(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2N)n1
|
[C][C][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][Ring1][O]
|
CCCc1nc(-c2ccc(F)cc2)oc1C(=O)NC(C)CN1CCN(C(=O)OCC)CC1
|
[C][O][C][=C][C][=C][Branch1][#C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][C]
|
COc1cc2c(cc1OCc1ccccc1)CC(C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2
|
[C][C][O][C][C][C][N][=C][Branch1][C][N][N][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][O][Ring1][#Branch2][=C][S][Ring1][#C]
|
CCOCCCN=C(N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1
|
[C][C][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][O][C][C][=Branch2][Ring1][Ring2][=C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1]
|
CCCCC(CC)C(=O)OCC1(CO)CC(=Cc2cccc(C(F)(F)F)c2)C(=O)O1
|
[C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][C][C][N][Branch2][Ring1][Branch1][C][C][O][C][=C][C][=C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O][Ring2][Ring1][S]
|
CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc21
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1]
|
COc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1
|
[C][C][=C][C][=C][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch2]
|
Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3ccc(C(=O)NCc4ccccc4Cl)cc32)cc1
|
[C][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][=N][C][Branch1][C][Br][=C][Ring2][Ring1][O]
|
Cc1ccc(NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(Br)c1
|
[C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][P][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][F][Branch1][C][F][F][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][P]
|
CCCN1C(=O)C(NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=C(C2CC2)c2ccccc21
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
COc1cccc2c1CCCC2CN(C)CCc1ccc2nc(C)sc2c1
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][N][C][Ring2][Ring1][Branch2][=O]
|
CC1(C)Oc2ccc(C(=O)NNC(=O)Nc3ccccc3)cc2NC1=O
|
[F][C][Branch1][C][F][O][C][Branch1][C][F][Branch1][C][Cl][C][Branch1][C][F][Branch1][C][F][F]
|
FC(F)OC(F)(Cl)C(F)(F)F
|
[C][=C][C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][=C][C][C][Ring1][Ring1][C][O]
|
C=CCOc1nc(N)nc2c1ncn2C=C1CC1CO
|
[C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=S][N][Ring1][=Branch1][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][C][C][C][N][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][Ring1][=N][=S]
|
CC(C)CC1CNC(=S)N1CC(Cc1ccccc1)N(C)CCCCCN1CC(Cc2ccc(O)cc2)NC1=S
|
[C][C][N][N][=C][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O]
|
CCn1nc(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O
|
[C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][O][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1]
|
COCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1
|
[C][N][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][Ring1][#C]
|
CN1COc2ccc3ccc(=O)oc3c2C1
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2]
|
O=C(O)c1ccc(CCNC(=O)C2(c3ccccc3)CC2)cc1
|
[O][=C][Branch1][P][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][=C][NH1][N][=Ring1][Branch1]
|
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc[nH]n1
|
[C][C][C][=C][Branch1][Ring1][O][C][C][=C][C][=Branch1][Branch1][=C][Ring1][Branch2][O][C][=Branch1][C][=O][C][C][Branch1][Ring1][O][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring2][Ring1][C][Ring1][O][O]
|
CCc1c(OC)cc2c(c1O)C(=O)CC1(OC)OC(C(=O)OC)CC21O
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][C][=Branch1][C][=N][S][=C][Branch1][C][C][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
COc1ccc2c(c1)c(CC(=N)S)c(C)n2Cc1ccccc1
|
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=C][C][Branch1][C][C][=N][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Branch1][Ring1][C][C][N][=C][Ring2][Ring1][Ring2][Ring1][#C]
|
CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CC)nc12
|
[O][=C][Branch1][=C][C][C][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1]
|
O=C(CCC(=O)c1ccsc1)c1ccsc1
|
[C][C][C][C][N][C][=N][C][=C][Ring1][Branch1][N][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1]
|
CCCCn1cnc2c1ncn1cnnc21
|
[C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N]
|
C=C(c1ccccc1)c1ccccc1N
|
[C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][Branch1][C][C][C][O][S][C][=Ring1][=Branch2][Ring2][Ring1][=Branch2]
|
Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CCCO)sc21
|
[C][C][Branch1][C][C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F]
|
CC(C)(CC(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)NS(=O)(=O)c1cccc(F)c1F
|
[C][C][=C][C][=C][C][Branch2][Branch1][Ring1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring2][Ring1][C][C][C][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Branch1][C]
|
Cc1cccc(N2CCN(CCCNC(=O)c3cc(-c4ccccc4)n(CC4CCCCC4)c3C)CC2)c1C
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][#Branch2][=C][Ring1][Branch2][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][C][Ring1][O][O]
|
COc1cc(OC)c2c(c1NC(C)=O)C(=O)OC2O
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C]
|
COc1ccc(C=C(C#N)C(=O)NCc2cccnc2)cc1OC
|
[C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Ring1][N][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring1][Ring2][O][C][Branch1][C][C][=O][O][C][O][Ring2][Ring1][=Branch1]
|
CC(=O)OC1C=C2c3cc4c(c(O)c3C(=O)NC2C(OC(C)=O)C1OC(C)=O)OCO4
|
[C][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][#C][C][=C][N][=C][Branch1][Branch1][O][C][C][O][C][Branch1][C][I][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1]
|
CNc1ccc(C#Cc2cnc(OCCO)c(I)c2)cc1
|
[C][N][C][=Branch1][C][=O][C][NH1][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CNC(=O)c1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc(OC)cc1
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring1][#C][C][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C]
|
O=C(O)c1ccc(C2(NC(=O)c3cccc4c3Oc3ccc(C(F)(F)F)cc3CC4)CC2)cc1
|
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