SMILE
stringlengths 1
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stringlengths 3
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O=C(NC1(c2ccccn2)CC1)c1nn(-c2ccc(C(F)(F)F)cc2Cl)c2c1CCCCC2=Cc1ccc(Cl)s1 | [O][=C][Branch1][P][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=Branch2][C][=N][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][=C][Ring1][S][C][C][C][C][C][Ring1][#Branch1][=C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
CN(C)Cc1ccc2c(c1)CCC(N(C)C(=O)c1ccc(-c3ccc(Cl)cc3)cn1)C2 | [C][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][Ring1][=N][C][Ring2][Ring1][Branch2] |
Oc1c2nc3ccc(Br)cc3c-2ncn1CCCn1ccnc1 | [O][C][=C][N][=C][C][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=C][Ring1][#Branch2][N][=C][N][Ring1][=C][C][C][C][N][C][=C][N][=C][Ring1][Branch1] |
COc1cc(C=NN=C2C(=O)Nc3ccccc32)cc(OC)c1O | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O] |
Cc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 | [C][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P] |
O=c1nc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2c(=O)[nH]1 | [O][=C][N][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][P][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] |
CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2C)cc1F | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=S][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][#Branch2][F] |
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(-c2ccc(C(=O)OC)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=C][Branch1][S][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][C][Ring1][=C][C][=C][C][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][=C][Ring1][S] |
CCOC(=O)C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(C1CC(N2CCN(c3nccc4ccccc34)CC2)CN1)N1CCSC1 | [O][=C][Branch2][Ring2][Ring2][C][C][C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S][C][N][Ring2][Ring1][Branch1][N][C][C][S][C][Ring1][Branch1] |
Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)ccc21 | [C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][P][=C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring2][Ring2][Ring2][Ring2][#Branch2] |
CCC(C)(C)NC(=NO)c1ccc(C)nc1Oc1cccc(F)c1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][Ring1][=N][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
O=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCNCC3)c(F)cc2c1=O | [O][=C][Branch1][C][O][C][=C][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=N][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring1][=N][C][Ring2][Ring1][=Branch2][=O] |
Cc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] |
O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 | [O][=C][O][C][Branch2][Ring2][Ring2][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2][O][C][=C][Ring1][=N][C][=C][Branch1][C][I][C][Branch1][C][O][=C][Ring1][Branch2][I][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Ring2][Ring1][S] |
O=C(Nc1ccc(Br)nc1)c1cccc(F)c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
O=C(c1ccccc1)N1N=C2C(=Cc3ccc([N+](=O)[O-])cc3)CCCC2C1c1ccc([N+](=O)[O-])cc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][C][=Branch1][P][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][S][C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2ccc(C(F)(F)F)nc12 | [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][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][=C][Ring1][#Branch2] |
CC1(Nc2ncc(C(F)(F)F)cc2F)CCCC1N=C(O)c1ncccc1-n1nccn1 | [C][C][Branch2][Ring1][Branch1][N][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][F][C][C][C][C][Ring1][P][N][=C][Branch1][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][N][=C][C][=N][Ring1][Branch1] |
Cc1sc2ccccc2[n+]1CCC[n+]1c(C)sc2ccccc21 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Ring1][=Branch2][C][C][C][N+1][=C][Branch1][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CC(C)CCC(C)NC(=O)C(N)CC(=O)O | [C][C][Branch1][C][C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=Branch1][C][=O][O] |
O=C(O)COc1ccc(Cl)cc1C1c2sc(-c3ccccc3)nc2CCN1C(=O)OCc1ccccc1 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][Ring1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=[N+]([O-])c1ccc(C=NOC2OC(CO)C(O)C(O)C2O)cc1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][Ring2] |
Cc1ccc(OCc2ccc(CCC(=O)O)c(C(=O)NC(CC(C)C)c3cc(C)cc(C)c3)c2)cc1 | [C][C][=C][C][=C][Branch2][Branch1][Ring2][O][C][C][=C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][O][C][=C][Ring2][Ring2][Ring1] |
CC(C)(C)c1ccc(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)cc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch2] |
Cc1cccc(COC2CCCC2Nc2nc(Cl)nc3c2ncn3C2OC(CO)C(O)C2O)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][O][C][C][C][C][C][Ring1][Branch1][N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][=C][Ring2][Ring1][P] |
CCOP(=O)(OCC)C(OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCOC(=O)c1nc2ccccn2c1[N+](=O)[O-] | [C][C][O][C][=Branch1][C][=O][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][N+1][=Branch1][C][=O][O-1] |
CCC(CC)C(=O)Nc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)ccc1O | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][Ring1][O] |
CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C | [C][C][N][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CC(=O)NCC(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][N][C][Ring1][S] |
CC(=O)C(=NNc1ccccc1)Nc1cccc(Cl)c1 | [C][C][=Branch1][C][=O][C][=Branch1][O][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)O)o1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][Branch2] |
O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCc2ccccc2C1c1c[nH]c2ccccc12 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
COc1cc2c(NC3CCN(C4CC4)CC3)nc(N3CCS(=O)(=O)CC3)nc2cc1OCCCN1CCCC1 | [C][O][C][=C][C][=C][Branch1][P][N][C][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch2][N][=C][Branch1][#C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][N][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1] |
NC(CCNCc1ccccc1OCc1ccccc1)C(=O)N1CCCCC1 | [N][C][Branch2][Ring1][#Branch1][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] |
COc1ccccc1CCNCC(c1ccccc1OC)N1CCN(c2ccccc2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
Oc1cc(NCCCNCc2cc(Cl)cc(Cl)c2Cl)cc2ccccc12 | [O][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][=C][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][=Branch1] |
O=C(CC1C(=O)Nc2ccccc2N1CC(=O)N1CCCC1)Nc1ccc(Br)cc1 | [O][=C][Branch2][Ring1][#C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CC1(c2cc(N=C(O)c3ncc(Cl)cc3Cl)ccc2F)CS(=O)(=O)C2(CCOCC2)C(=N)N1 | [C][C][Branch2][Ring1][=C][C][=C][C][Branch2][Ring1][C][N][=C][Branch1][C][O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring1][P][F][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=N][N][Ring2][Ring1][S] |
COC(=O)C(C)Oc1ccc(C(=O)C=Cc2c[nH]c3ccccc23)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
COC(=O)CN1CCN(c2nc3c(s2)c(C)nn3C)C(C)C1=O | [C][O][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][C][Branch1][C][C][C][Ring1][P][=O] |
CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccco1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] |
COc1ccc2c(c1)c1c(n2C(=O)c2ccccc2)CCC(C(=O)O)C1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][S][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][C] |
COC(=O)c1c(C)nn(-c2ccc(F)c(Cl)c2)c1-c1cc(C)on1 | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] |
COc1cc(C2CCCN2C)ccc1O | [C][O][C][=C][C][Branch1][=Branch2][C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Ring1][N][O] |
O=C(NC(Cc1ccc(Br)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 | [O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
c1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccccc4)o3)o2)cc1 | [C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][C][=N][N][=C][Branch2][Ring1][N][C][C][C][C][C][C][C][C][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][O][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][C] |
C=C(CCC12OC(CN(C)C)C(O)(C(=O)O)C(C(=O)O)(O1)C(OC(=O)C=CC(C)CC(C)CC)C2O)C(OC(C)=O)C(C)Cc1ccccc1 | [C][=C][Branch2][Branch1][P][C][C][C][O][C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][Branch1][Ring2][O][Ring1][P][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][#C][O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C1c2ccccc2C(=O)c2c1cc(SCc1ccccc1)c1nsnc21 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][C][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][S][N][=C][Ring1][P][Ring1][Branch1] |
CCCCN(CCCC)C(=O)CN1CC(c2ccc3c(c2)OCCO3)C(C(=O)O)C1c1ccc(OC)cc1 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][N][C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(C(=O)OCC4C5(C)CCC(=O)OC(C)(C)C5CCC43C)C2C1 | [C][C][Branch1][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][C][Branch1][C][C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][C][C][C][Ring1][#C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][#C][C][Ring2][Ring2][Ring2] |
CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccccc3OC(F)(F)F)CCCCC2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O] |
O=C(c1ccc[nH]1)N1CCCC1c1nc(-c2ccccc2)n[nH]1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O] |
CC(=O)OCC(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1 | [C][C][=Branch1][C][=O][O][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCC(=O)n1nc(-c2ccc(Cl)cc2)nc1N | [C][C][C][=Branch1][C][=O][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][N][N] |
COc1ccccc1C=Cc1cc(O)ccc1O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O] |
Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc12 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=C][Ring2][Ring1][C][N][C][=N][C][=N][C][=C][N][=C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][N][=C][Ring2][Ring1][C][Ring1][=C] |
COc1cc(C=CC(=O)OCCCN(C)CCCOC(=O)C=Cc2ccc(-c3ccccc3)cc2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring2][O][C][=C][C][=Branch1][C][=O][O][C][C][C][N][Branch1][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch1][O][C] |
Nc1sccc1C(=O)c1cccc(F)c1 | [N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
COCCCC1(CO)CCCN(Cc2nccs2)C1 | [C][O][C][C][C][C][Branch1][Ring1][C][O][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][=C] |
CCc1nc2onc(-c3ccc(OC)c(OC)c3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1 | [C][C][C][=N][C][O][N][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N] |
O=C(COc1nncc2ccccc12)Nc1ccc(F)c(F)c1 | [O][=C][Branch1][P][C][O][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
CNc1nccc2c1nnn2Cc1ccccc1F | [C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
Cc1nnc(NS(=O)(=O)c2ccc(C3SC(=S)NC3=O)cc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][S][C][=Branch1][C][=S][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][S][Ring2][Ring1][=Branch1] |
CCOc1c(C(=O)NCCN2CCCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21 | [C][C][O][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][N][C][C][C][C][Ring1][Branch1][N][Branch1][C][C][C][=C][Ring1][S][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] |
CCCOc1ccc(N2C(=O)CC(N(Cc3ccc(OC)cc3)C(S)=Nc3ccccc3)C2=O)cc1 | [C][C][C][O][C][=C][C][=C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][C][Branch2][Ring1][=C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][S][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][S] |
CCn1cncc1CN1CCc2nc3sccc3c(=O)n2CC1 | [C][C][N][C][=N][C][=C][Ring1][Branch1][C][N][C][C][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][Ring1][#C] |
CCCC(C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C#N)cc1 | [C][C][C][C][Branch1][C][C][N][Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
CN1CCN(CCOc2ccc3oc(N4CCOCC4)nc(=O)c3c2)CC1 | [C][N][C][C][N][Branch2][Ring1][#C][C][C][O][C][=C][C][=C][O][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P][C][C][Ring2][Ring1][#Branch2] |
COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C(O)C2)cc1OC(C)C | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][O][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][O][C][Branch1][C][C][C] |
O=C1CNCC(=O)N1Cc1ccco1 | [O][=C][C][N][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][O][Ring1][Branch1] |
C=CC1=C(C(=O)Nc2cccc(C)c2)C(c2ccc(OC)cc2)OC1 | [C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][Ring2][Ring1][#Branch1] |
COc1ccc2c(c1)C(=O)N(CC1(C#Cc3ccc(C4(O)CCNCC4)cc3)NC(=O)NC1=O)C2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring2][Branch2][C][C][Branch2][Ring1][Branch2][C][#C][C][=C][C][=C][Branch1][N][C][Branch1][C][O][C][C][N][C][C][Ring1][#Branch1][C][=C][Ring1][=N][N][C][=Branch1][C][=O][N][C][Ring2][Ring1][Branch1][=O][C][Ring2][Ring1][=C] |
CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1ccc(CN2CCOCC2)o1)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CP(C)(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 | [C][P][Branch1][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] |
O=C1NC(CS)C(=O)N(Cc2ccc3ccccc3n2)C1Cc1ccc([N+](=O)[O-])cc1 | [O][=C][N][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc[nH]3)C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=Branch1][=Branch2][=C][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] |
COc1ccc(-n2nc(CC(C(=O)O)c3cccc(Cl)c3)cc2-c2ccc(Cl)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][N][N][=C][Branch2][Ring1][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C] |
Cc1cccc(NC(=O)CNC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][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][Ring2][Ring1][=N][C] |
OC(=Nc1ccc(C2CNCC2O)cc1)c1ccc(Cl)cc1 | [O][C][=Branch2][Ring1][Ring2][=N][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][C][Ring1][Branch1][O][C][=C][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CC1(C(=O)C=C(O)c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 | [C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2] |
COc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1 | [C][O][C][=C][C][=C][N][=C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][N][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
Cc1cccc(Cn2c(CNS(=O)(=O)c3ccc(Cl)s3)nc3cccnc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][N][C][Branch2][Ring1][Ring2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O] |
CN1CC2CN(c3ccc(-c4ccccc4)nn3)CC2C1COc1cccnc1 | [C][N][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][C][C][Ring1][P][C][Ring2][Ring1][Ring2][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CC(C)CC(NC(=O)C=Cc1ccc(OP(=O)(O)O)cc1)C(=O)N1CCCC1C(=O)NC(COCc1ccccc1)COC(N)=O | [C][C][Branch1][C][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][C][N][=O] |
CCN(CC)S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P] |
Cc1ccc2c(c1)Sc1cc3ccccc3nc1N2CCCCNC(=O)NCCCl | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][Ring1][#C][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][Cl] |
CCNc1nc(NCc2ccccc2)nc(Oc2ccc(O)nn2)n1 | [C][C][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][N][=N][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] |
CC(C)(C)[Si](C)(C)OC1CCCOC1CO | [C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][C][C][O][C][Ring1][=Branch1][C][O] |
O=C1CC(c2ccsc2)c2cnn(C3CCCC3)c2N1 | [O][=C][C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][C][=N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=Ring1][#Branch2][N][Ring2][Ring1][Ring1] |
COc1c2occc2c(OC)c2c(=O)cc(C(F)(F)F)oc12 | [C][O][C][=C][O][C][=C][C][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][Ring2][Ring1][Ring2][=Ring1][O] |
CCc1ncnc(N2CCC3(CC2)OCCCO3)c1C#Cc1ccc(N)nc1 | [C][C][C][=N][C][=N][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=C][Ring1][P][C][#C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1] |
Cc1ccc(Cc2cc(O)c(O)cc2-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][N] |
CC1(C)CC(NC(=S)Nc2ccccc2Cl)c2cc(Br)ccc2O1 | [C][C][Branch1][C][C][C][C][Branch1][S][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][Ring2][Ring1][#Branch1] |
CC(=CCO)C1CC2C(C)(C=CC(=O)C2(C)C)OO1 | [C][C][=Branch1][Ring2][=C][C][O][C][C][C][C][Branch1][C][C][Branch1][=C][C][=C][C][=Branch1][C][=O][C][Ring1][Branch2][Branch1][C][C][C][O][O][Ring1][=C] |
Oc1ccc2c3c1OC1c4c(c5cccc6c5n4CC6)CC4(O)C(C2)N(CC2CC2)CCC314 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Ring1][Branch1][C][C][Branch1][C][O][C][Branch1][Branch1][C][Ring2][Ring1][Branch1][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][Ring2][Ring1][N][Ring2][Ring1][=Branch2][Ring1][N] |
CCOc1ccc(N2CC(C(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2] |
COc1ccc(C(=O)NCCC2=CCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P][O][C] |
Cc1ccc(-n2nc3c(=O)n(CC(=O)NC4CCCCC4)nc(C)c3c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][N][=C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Branch1][C][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch1][C][C][=C][Ring2][Ring1][N] |
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