SMILE
stringlengths 1
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stringlengths 3
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CC(C)N(C(=O)c1cccc(-c2ccc3c(c2)OCO3)c1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][#C][C][Branch1][C][C][C] |
COc1ccc(CN(C(CC(C)C)C(N)=O)S(=O)(=O)c2cccc(C)c2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][Branch1][#C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2][F] |
CCOC(=O)C12CCCC=C1N(Cc1ccccc1)C(=O)C(CC(=O)NCc1ccc(OC)c(OC)c1)C2 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][P] |
NC(=O)c1ccc(Oc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring1] |
CC1CCC2C13CCC1(C)OC2(C)C(NCCCCN(C)CCCN(C)C)C1C3 | [C][C][C][C][C][C][Ring1][Branch1][C][C][C][Branch1][C][C][O][C][Ring1][Branch2][Branch1][C][C][C][Branch2][Ring1][C][N][C][C][C][C][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2] |
CCCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(C3CCN(S(C)(=O)=O)CC3)nc2c(=O)[nH]1 | [C][C][C][C][O][C][=N][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][P][C][=N][C][=C][Branch1][Ring1][C][C][N][Branch2][Ring1][Ring1][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][N][=C][Ring1][P][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] |
Cc1ccc(C(=O)N2CC(C)SC2=Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][S][C][Ring1][=Branch1][=N][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][O] |
CCCNC(=O)c1ccc(S(=O)(=O)NC2(COC)CCCC2)cc1 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][Ring2][C][O][C][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C] |
COc1ccc(OC)c(NC(=O)CC(C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][=N] |
NC(=O)C1CCCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C1 | [N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch1] |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C | [C][C][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C][C][C][C][Branch1][C][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][=Branch2][Branch1][C][C][C][Ring1][=C][=C][C][C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][C] |
COc1ccc(-c2cn3cc(C)ccc3n2)cc1Br | [C][O][C][=C][C][=C][Branch1][P][C][=C][N][C][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S][Br] |
CC=C1C(O)CC2C3CCC4CC(NCc5ccc(C#N)cc5)CCC4(C)C3CCC12C | [C][C][=C][C][Branch1][C][O][C][C][C][C][C][C][C][C][Branch1][#C][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][C][Ring1][S][Branch1][C][C][C][Ring2][Ring1][Branch1][C][C][C][Ring2][Ring1][=N][Ring2][Ring1][=Branch2][C] |
OCC1OC(n2ccc3c(-c4cc5ccccc5[nH]4)ncnc32)C(O)C1O | [O][C][C][O][C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C][Branch1][C][O][C][Ring2][Ring1][Branch2][O] |
CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 | [C][C][C][N][C][C][C][Branch2][Ring1][#Branch2][C][O][C][=N][C][=C][Branch1][C][I][C][=C][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][Ring1][#C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1] |
COc1ccc(CNC(=O)CSc2[nH]nc(C)c2[N+](=O)[O-])cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][S][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Branch1] |
Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)C1CCCN1CC2 | [C][N][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2][C][C][C][C][N][Ring1][Branch1][C][C][Ring2][Ring1][=C] |
Nc1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)n1 | [N][C][C][=C][N][Branch2][Ring1][#Branch1][C][C][C][Branch1][C][O][C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][O][Ring1][N][C][=Branch1][C][=O][N][=Ring2][Ring1][Ring1] |
COc1cccc(-c2[nH]nc3c2C(c2ccsc2)C(C#N)=C(N)O3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][NH1][N][=C][C][=Ring1][Branch1][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][Ring1][=C][=C][Ring2][Ring1][#Branch1] |
CCOC(=O)c1nn(Cc2ccccc2)nc1O | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][O] |
COc1cc(C(O)=NCCCO)ccc1N=C(O)c1cnn2cccnc12 | [C][O][C][=C][C][Branch1][#Branch2][C][Branch1][C][O][=N][C][C][C][O][=C][C][=C][Ring1][=N][N][=C][Branch1][C][O][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1] |
Cc1cc2nc(N3CC(C)CC(C)C3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C | [C][C][=C][C][N][=C][Branch1][#C][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][N][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][C][=Ring2][Ring1][#C][C][=C][Ring2][Ring2][Ring1][C] |
CCCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][N][O][C] |
COC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(O)CC(C)C)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CCC(C)C1NCCOc2ccccc2C=CCNC(=O)C(Cc2cccc(OC)c2)NC(=O)C2(CCCC2)NC1=O | [C][C][C][Branch1][C][C][C][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][N][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][N][C][Ring2][Ring2][Branch1][=O] |
Cc1nn2c(SCC(=O)Nc3ccc(C4C5CC6CC(C5)CC4C6)cc3)nc3ccccc3c2nc1=O | [C][C][=N][N][C][Branch2][Ring2][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][C][=C][Ring1][S][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#C][=N][C][Ring2][Ring2][Ring1][=O] |
Oc1ccc(C=Cn2cc(C=Cc3ccc(O)c(O)c3)nn2)cc1 | [O][C][=C][C][=C][Branch2][Ring1][N][C][=C][N][C][=C][Branch1][P][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][=N][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] |
CC(=O)CC(=O)Nc1ccc(OS(N)(=O)=O)cc1 | [C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][O] |
COc1ccc(P(=S)(S)OC(C)C)cc1 | [C][O][C][=C][C][=C][Branch1][=C][P][=Branch1][C][=S][Branch1][C][S][O][C][Branch1][C][C][C][C][=C][Ring1][=N] |
CC12CCC3C(C)(CCC4(C)C5(CCC34C)OCCO5)C1(C)Cc1nc3c(nc1C2)CC1(C)C(C)(CCC2C1(C)CCC1(C)C4(CCC21C)OCCO4)C3 | [C][C][C][C][C][C][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C][Branch1][C][C][C][Branch1][=Branch2][C][C][C][Ring1][O][Ring1][=Branch1][C][O][C][C][O][Ring1][=Branch2][C][Ring2][Ring1][Ring2][Branch1][C][C][C][C][=N][C][=C][Branch1][=Branch2][N][=C][Ring1][=Branch1][C][Ring2][Ring1][=N][C][C][Branch1][C][C][C][Branch1][C][C][Branch2][Ring1][P][C][C][C][C][Ring1][Branch2][Branch1][C][C][C][C][C][Branch1][C][C][C][Branch1][=Branch2][C][C][C][Ring1][O][Ring1][=Branch1][C][O][C][C][O][Ring1][=Branch2][C][Ring2][Ring1][=N] |
CS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(O)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][=C][C][=C][O][N][=C][Branch1][C][N][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CC(C)NC(=O)c1cccc(-c2[nH]nc3ccnc(OC4CCOCC4)c23)c1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][NH1][N][=C][C][=C][N][=C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][S][Ring1][=N][=C][Ring2][Ring1][=Branch1] |
CCCCC1CN(C(Cc2ccc(O)cc2)CN2CCCC2CN2C(=O)C(=O)NCC2Cc2ccc3ccccc3c2)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 | [C][C][C][C][C][C][N][Branch2][Branch1][=Branch1][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Ring1][Branch2][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring2][Ring2][O][C][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
CCN1CC(C(=O)O)C(=O)c2cc(F)c(N3CCNCC3)cc21 | [C][C][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N][Ring2][Ring1][Branch1] |
N#Cc1sc(=N)n2c1N(Cc1ccc(Cl)nc1)CC2 | [N][#C][C][S][C][=Branch1][C][=N][N][C][=Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][C][Ring1][=N] |
Cc1nc(-c2ccc(C(=O)N3CC(c4ccc(Cl)cc4)C(C)(COc4ccc(Cl)cn4)C3)cc2)no1 | [C][C][=N][C][Branch2][Branch1][Branch2][C][=C][C][=C][Branch2][Ring2][N][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C][=N][O][Ring2][Ring2][Ring1] |
CC(=O)NCCNC(=O)CN1CCOC(Cn2cc(C)cn2)C1 | [C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][N][C][C][O][C][Branch1][N][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring1][=N] |
CC(C)CC(NC(=O)C1CCCN1)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(N)=O | [C][C][Branch1][C][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
O=C(NC(Cc1cc(F)cc(F)c1)C(O)C1CC(OCc2ccccc2)CN1)C1CC(=O)N(Cc2cccs2)C1 | [O][=C][Branch2][Ring2][O][N][C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][C][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=N][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][N] |
COc1ccc(N2CCN(Cn3nc(Cc4ccc(SC)cc4)oc3=S)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][N][N][=C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][O][C][Ring1][=C][=S][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
O=C(C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1)N1CCN(c2ccccn2)CC1 | [O][=C][Branch2][Ring2][C][C][Branch2][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][S][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] |
CN1CCC(n2[nH]c3cccc(C(N)=O)c3c2=O)CC1 | [C][N][C][C][C][Branch2][Ring1][=Branch1][N][NH1][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][Ring1][N][=O][C][C][Ring2][Ring1][Ring1] |
O=C1C=C(C2C=CCCC2)C(=O)c2ccccc21 | [O][=C][C][=C][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] |
CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(NC(=O)C(CC(C)C)NC(=O)CN)C(O)C(C)O2)C1)C(=O)c1c(O)cccc1C3=O | [C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][=C][Branch1][C][O][C][=C][Branch2][Branch1][Branch2][C][Branch1][C][O][=C][Ring1][Branch2][C][Branch2][Ring2][=Branch2][O][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][O][C][Branch1][C][C][O][Ring2][Ring1][Branch1][C][Ring2][Ring2][Ring1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Ring2][Ring2][#Branch1][=O] |
CC12C(=NO)C3C4CC5C3C(=NO)C1C5C42 | [C][C][C][=Branch1][Ring1][=N][O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][Ring1][=N][O][C][Ring1][=N][C][Ring1][#Branch1][C][Ring1][#Branch2][Ring1][#C] |
Oc1cccc(-c2cn3c(n2)sc2ccccc23)c1 | [O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][C] |
CCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CCCNC3)c21 | [C][C][N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][C][=C][N][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][N][C][Ring1][=Branch1][=C][Ring1][#C][Ring2][Ring1][Branch2] |
CC(c1ccccc1)N1CCn2c(nc3cc(NC(=O)c4cccs4)ccc32)C1 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][=Branch2][Ring1][#Branch2][=N][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][Ring1][P][C][Ring2][Ring1][Branch1] |
Cc1nn2c(N3CCOCC3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 | [C][C][=N][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][C][Ring1][S][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2cnccc12 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
COCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc21 | [C][O][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][N][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Ring1][=C][Ring2][Ring1][=Branch2] |
COc1ccc(-c2ccc(S(=O)(=O)N3CCCC3C(=O)NC(C#N)CC(N)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
O=C(COC(=O)c1ccc(Cl)nc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl | [O][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Cl] |
CCCCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2ccccc21 | [C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] |
O=S1(=O)CCOCCCN1Cc1ccccc1F | [O][=S][=Branch1][C][=O][C][C][O][C][C][C][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CC(NC(=O)C(C)(F)F)C(Oc1ccc2c(cnn2-c2cccc(C(=O)NC3CCOC3)c2)c1)c1ccc2c(c1)OCCO2 | [C][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][F][F][C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][O][C][Ring1][Branch1][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] |
COc1c(C(=O)N2CCN(CCCNC(=O)c3cc(O)c(O)c(O)c3)CC2)nc(Cc2ccc(F)cc2)n(C)c1=O | [C][O][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Branch1][N][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring2][=Branch1][=O] |
CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)O)O1 | [C][C][C][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][Branch1][C][O][C][C][Ring1][P][Branch1][C][C][C][Ring2][Ring1][Branch1][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring2][Ring1][O] |
COc1ccc(OCC(=O)NCCNC(=O)c2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] |
CSc1ccc(CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring2][C][C][N][C][C][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][N][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] |
CS(=O)(=O)c1ccc(-n2cnc(Br)c2-c2ccc(F)cc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] |
CCOCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1 | [C][C][O][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][S][Ring1][P] |
COc1ccc(C=CC2=Nc3ccccc3NC(C)(C)C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][O][C] |
CSCN1c2ncccc2C(=O)N(C)c2cccnc21 | [C][S][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][P] |
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=S)S | [C][C][C][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][C][C][Ring2][Ring1][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][N][Ring1][=C][C][=Branch1][C][=S][S] |
Cc1cc(Nc2c(F)cc(F)cc2F)n2ncnc2n1 | [C][C][C][=C][Branch1][P][N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][N][N][=C][N][=C][Ring1][Branch1][N][=Ring2][Ring1][Ring1] |
CC1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1C(C)c1ccc(I)cc1 | [C][C][C][N][Branch2][Ring1][=C][C][Branch1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][P][C][C][N][Ring2][Ring1][#Branch1][C][Branch1][C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1] |
CC1CN(c2sc(S(C)(=O)=O)nc2S(=O)(=O)c2ccc(Cl)cc2)CC(C)O1 | [C][C][C][N][Branch2][Ring2][Ring2][C][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch2] |
NC(CS)CC(C(=O)O)C(=O)O | [N][C][Branch1][Ring1][C][S][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CNC(=O)c1ccc(C(=O)N2CCCC2c2c(C)nn(C)c2C)cn1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=N][Ring2][Ring1][Branch1] |
O=C(C=Cc1ccnc2ccccc12)C=Cc1ccnc2ccccc12 | [O][=C][Branch1][P][C][=C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
COc1ccccc1Cn1c(C)c(C(=O)NCc2cccc(C)c2)sc1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][C][Ring1][P][=O] |
[C-]#[N+]c1ccc(NC(c2nnc(-c3ccc(OC(=O)CCC)c(Cl)c3)o2)C(C)OC(=O)CCC)c(C)c1Cl | [C-1][#N+1][C][=C][C][=C][Branch2][Branch1][C][N][C][Branch2][Ring1][P][C][=N][N][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C][Branch1][C][Cl][=C][Ring1][=N][O][Ring2][Ring1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=C][Ring2][Ring2][Ring1][Cl] |
O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nc(Cl)ncc2Br)CC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][N][C][C][N][Branch1][=N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][Br][C][C][Ring1][=C] |
CC(c1ccccn1)N(CCCCN)Cc1ncccc1N | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][=Branch1][C][C][C][C][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][N] |
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCCCCC1 | [O][=C][Branch2][Ring1][N][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] |
NC(=S)NN=Cc1cnccn1 | [N][C][=Branch1][C][=S][N][N][=C][C][=C][N][=C][C][=N][Ring1][=Branch1] |
CCn1cc(-c2cc3c(-c4cccc(N5CCNCC(O)C5)n4)n[nH]c3cn2)cn1 | [C][C][N][C][=C][Branch2][Ring2][=Branch2][C][=C][C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][N][C][C][N][C][C][Branch1][C][O][C][Ring1][Branch2][=N][Ring1][=C][=N][NH1][C][=Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][#Branch1][C][=N][Ring2][Ring1][N] |
O=c1cc(Cl)sn1-c1ccc(Cl)cc1 | [O][=C][C][=C][Branch1][C][Cl][S][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
C=Cc1cn(COCCO)c(=O)[nH]c1=O | [C][=C][C][=C][N][Branch1][=Branch1][C][O][C][C][O][C][=Branch1][C][=O][NH1][C][Ring1][N][=O] |
COc1ccccc1CCC(=O)Nc1ccc(C)cc1Cl | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl] |
CC(NC1=NCCO1)c1ccsc1 | [C][C][Branch1][=Branch2][N][C][=N][C][C][O][Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1] |
CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=Cc2cnc3ccccc3c2)CC(C)C2=NCCN3C(=O)OC1(C)C3C2C | [C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][C][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch2][O][C][Branch1][C][C][Branch2][Ring1][Ring1][O][C][C][=C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Branch1][C][C][C][=N][C][C][N][C][=Branch1][C][=O][O][C][Ring2][Branch1][Ring1][Branch1][C][C][C][Ring1][#Branch1][C][Ring1][N][C] |
COc1cccc2c1cc1c3ccccc3nc-1n2C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=Branch2][N][Ring1][=N][C] |
CC(=O)NC(C)c1ccc(OC2CCN(c3cccc(N4CCC5(CC5)C4)n3)C2)cc1 | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][N][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][#Branch1][=N][Ring1][=N][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] |
Cc1ncoc1C(=O)N1CCCC(CCC(=O)NCc2ccccc2F)C1 | [C][C][N][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Ring1] |
Cc1noc(C)c1CN(C)CCc1nc(-c2cccc(Cl)c2)no1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][O][Ring1][N] |
CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCOCC2)cc1Cl | [C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][#C][C][=Branch1][C][=O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][P][Cl] |
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)NC2=O | [C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Ring1][C][=O] |
Cc1oc(-c2ccco2)nc1CC(=O)N1CCC(CCO)C1 | [C][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][C][O][C][Ring1][Branch2] |
CC(C)N=C(S)NCCCc1c[nH]cn1 | [C][C][Branch1][C][C][N][=C][Branch1][C][S][N][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1] |
CC1=CC(C)C(C)N(CCNC(=O)Nc2ccccc2)c2ccccc21 | [C][C][=C][C][Branch1][C][C][C][Branch1][C][C][N][Branch1][P][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2] |
O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2cccc(F)c2)cc1)Cc1ccccn1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CN=C(O)CC1COc2cc(Br)ccc2N1C(=O)c1ccc2c(c1)N=C(O)CO2 | [C][N][=C][Branch1][C][O][C][C][C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][O][C][O][Ring1][Branch2] |
O=C(c1ccc[nH]1)N1CC2(CCN(c3nccs3)C2)C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][Branch1][S][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][#Branch2][C][Ring1][=N] |
CC(C)(C)NCC(O)COc1cccc2c1CCN(C=O)C2 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][Ring1][C][=O][C][Ring1][Branch2] |
Cc1nc(N)ncc1CNC(=O)Cn1c(C)cnc(NCCc2ccc3c(c2)CCO3)c1=O | [C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] |
CNC1CCN(c2cc(N)nc(NCC(C)C)c2)C1 | [C][N][C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][C][N][=N][C][Branch1][Branch2][N][C][C][Branch1][C][C][C][=C][Ring1][N][C][Ring1][P] |
CCCC1c2ccccc2C=NN1C(=O)C=Cc1cc(Cc2cnc(N)nc2N)cc(OCc2ccc(F)cc2)c1OC | [C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2][O][C] |
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