smiles stringlengths 6 131 |
|---|
CNc1cnccc1C(=O)N[C@H]1CCN(C(=O)c2cc3n(n2)CCCC3)[C@H]1C |
O=C(C=CC=C(Cl)Cl)N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)c(F)c1 |
O=C(CN1CCCCCC1)NC12CC(NC(=O)[C@@H]3CO[C@H]4COC[C@@H]4O3)(C1)C2 |
CC[C@@H](C(=O)OC)N(C)C(=O)[C@@H]1[C@H]2CN([C@H](CC)C(=O)N(C)C)C[C@H]21 |
C#CCOCCC(=O)N1CC2(CC)CC1(CNC(=O)C(F)=CC1CC1)C2 |
Cc1c(CO)cccc1NC(=O)[C@H]1CN(C(=O)CCCCC(C)(C)C)C(C)(C)C1 |
CC(C)C[C@@H](CNC(=O)C1(F)CCC1)C(=O)NCC[C@H](C)N1CCCC1 |
Cc1csc2c(C(=O)NC3([C@H]4CCCN4C(=O)CCC[N+](=O)[O-])CC3)ncnc12 |
Cn1cnc2ncc(NC[C@@H]3C[C@@H](CO)CO3)nc21 |
CC1CCC(CC(=O)NC[C@H](O)CC(=O)NCCC(=O)N(C)C)CC1 |
CC(F)(F)[C@H](F)C(=O)N1C[C@@H](O)C[C@]1(C)C(=O)Nc1cccc(Cl)c1O |
Cc1ccnc(C(=O)NC[C@@H](NC(=O)[C@H](O)C2CCC2)C2CCCCC2)n1 |
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 |
CCN(C(=O)C1(C2(O)CCOCC2)CC1)[C@H](C)CNC(=O)c1cccc(F)c1C |
CC[C@@H](C(=O)NC[C@H](O)CCNC(=O)c1[nH]ccc1C1CC1)n1cccn1 |
CCC[C@H](CNC(=O)C1=C(C)CCC1)C(=O)N[C@H](CF)c1ccccc1 |
CCCC[C@](C)(CO)NC(=O)C1CCN(C(=O)CN=[N+]=[N-])CC1 |
C#C[C@@]1(NC(=O)CN2CCN(C(=O)[C@H]3C[C@@H]3C(F)(F)F)CC2)CCC(C)(C)C1 |
O=C(Cn1cccc1)NC[C@@H]1C[C@@H](O)CN1C(=O)c1nc2ccccn2c1F |
CN(CC(=O)NC[C@H]1N(C(=O)Cn2cnnc2)CCC1(C)C)C(N)=O |
CCN(C(=O)CCCF)C1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2OC)CC1 |
CN1CCOC[C@]1(CO)CNCc1cccc(C(=O)OC(C)(C)C)c1 |
C=CCCCNS(=O)(=O)c1cccc(=N[C@H](CC)c2cc(OC)cc(OC)c2)[nH]1 |
C[C@H](CNC(=O)CCCNC(=O)[C@@H]1CC=CCC1)NC(=O)c1ncc(C(F)F)s1 |
CCOC(=O)Cc1cn(C[C@H]2N(C(=O)[C@H]3CCCCC(F)(F)C3)CC2(C)C)nn1 |
COC1CC2(C1)CN(C(=O)[C@H]1Cc3cc(F)cc(F)c3O1)C2 |
CC[C@H](C)OCC(=O)N1CCC[C@H]1[C@@H]1CCN(C(=O)CSC(F)F)C1 |
N#Cc1ccc(F)c(S(=O)(=O)N2Cc3[nH]nc(C(=O)N=c4cncc[nH]4)c3C2)c1 |
COCCOCC(=O)N1C[C@@H](NS(=O)(=O)c2cccc(F)c2)C[C@@H](F)C1 |
O=C(CN1CC=CC1)NC1CN(C(=O)C23CC(CCC(F)(F)F)(C2)C3)C1 |
CNC(=O)C1(C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)[C@H](C)C2)CCC1 |
C[C@@H](CN[C@H](c1ccc(Br)c(F)c1)c1nnnn1CC(F)F)CN1CCCC1=O |
CN1CCN(CCCCN[C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 |
C=CCSCC(=O)N(CC1CCN(C(=O)C(=O)NC(C)C)CC1)C1CC1 |
C#CC12CCC(C(=O)N3C[C@@H]4CCN(C(=O)CC(C)C)[C@@H]4C3)(CC1)CC2 |
CCc1c[nH]cc1C(=O)N[C@H]1CC[C@@H]1NC(=O)[C@@H](C)c1ccc(F)cc1 |
C[C@H](O)CCCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCN(C)c3ccccc32)C[C@@H]1F |
C#CCCC[C@H](C)C(=O)NC1(C(=O)NC[C@@H]2CCCN2C(C)=O)CCC1 |
COc1cc(CO)ccc1C(=O)Nc1cc(C)cc(C)n1 |
CN(C(=O)Cc1nncn1C)[C@@H]1CCCN(C(=O)C(C)(C)C(F)F)CC1 |
Cc1nc(-c2ccccc2)oc1C(=O)NCC1(F)CN(C(=O)[C@@]2(C)CC2(C)C)C1 |
O=C([C@@H]1CCCC12CC2)N1CC[C@@](O)(C(=O)O)[C@H](O)C1 |
Cc1ccc2c(c1)S[C@@H](C(=O)N1CCN(C(=O)C3(C4CCC4)CC3)[C@@H](C)C1)C2 |
CS[C@@H](C)CC(=O)NC1CC2(CCCN(C(=O)C(=O)NCC3CC3)C2)C1 |
CC[C@H](OC)C(=O)N1CC[C@@H](NC(=O)C23CC(C(F)F)(CO2)C3)[C@H](CO)C1 |
C[C@H](NC(=O)C[C@H]1CCC[C@@H](NC(=O)CCc2ccc[nH]2)C1)c1ccco1 |
C[C@@H]1CCN(C(=O)CCC2CCC2)C[C@@H]1CC(=O)NCCN(C)CCCF |
CC(C)N(CCN(C)C(=O)CN=S(C)(C)=O)C(=O)[C@@H](C)Cn1cccn1 |
Cc1csc(CNC(=O)[C@@H]2CN(C(=O)c3ccnc(O)c3F)C[C@H](C)O2)n1 |
CNc1ccc(C(=O)N(C)CCC2CCN(C(=O)[C@@H]3CC34CC4)CC2)nc1 |
COc1cc(C(=O)N2CC[C@@]3(CC(C(=O)N4CCS(=O)CC4)=NO3)C2)nn1C |
C=CCCSCCNC(=O)CC[C@H]1CCCN1C(=O)CCC1CCCC1 |
O=C(COC[C@@H]1CCCO1)NC[C@@]12CC[C@@](NC(=O)C3=CSCS3)(CO1)C2 |
Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C(=O)C2CCCC2)ncc1Cl |
C#CCOCCC(=O)N1CC2(C[C@H](NC(=O)CCCCC(F)(F)F)CO2)C1 |
Nc1ccnn1CC(=O)N[C@H]1CC[C@H](NC(=O)Cn2nccn2)CC1 |
CCC[C@H](C)C(=O)N1CCC(CN(CC)C(=O)c2cc(C(=O)OC)ccn2)CC1 |
CC1CC(C(=O)N[C@H](CNC(=O)c2cnnc3ccccc23)CC(F)(F)F)C1 |
CC1(C)CC(=O)NC[C@H]1C(=O)Nc1cnncn1 |
COc1nn(C)cc1NC(=O)[C@H]1C[C@@](C)(NC(=O)CC2CSC2)C1 |
C[C@@H](CC1CC1)C(=O)N[C@@H]1CC(C(=O)N(C)C[C@@H]2CCCC2(C)C)=C[C@@H]1O |
CC(=O)N1CC[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](C)C1 |
C=C(C)[C@H](CC(=O)N1C[C@@H]2CN(C(=O)c3c(C)cc(F)cc3C)CC[C@@H]21)OCC |
C#CCOCCOCC(=O)N[C@@H](Cc1ccoc1)C(=O)N[C@@H]1CCCCC12CC2 |
CC1(C)[C@H](NC(=O)CCc2ccncn2)[C@@H]1C(=O)N1CC2CCC1CC2 |
C[C@H](NC(=O)c1ccc(Br)o1)C(=O)NCCCNC(=O)c1ccn(C)c1 |
O=C(NC1CN(C(=O)c2cn3ccnc3cn2)C1)c1ccc2ccc(O)nc2n1 |
NS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H]3[C@@H](C[C@H]3NC(=O)c3cccc(CF)c3)C2)c1 |
CC[C@H](CC(F)(F)F)C(=O)N[C@@H]1CCC[C@@]1(C)CNC(=O)CCOCC(C)C |
C=C[C@H](O)C(=O)NC[C@@H]1CCC[C@H]2CN(C(=O)c3oc(C4CC4)nc3C)C[C@@H]12 |
COc1ncc(C)cc1CNC(=O)N[C@H](C)C(=O)NCCF |
CCCC[C@@H](NC(=O)CC1CC(=O)C1)C(=O)N1CCC[C@@H](C(C)C)C1 |
C#C[C@]1(O)C[C@@H](C(=O)NC2CC(CCNC(=O)c3ccc(CN(C)C)nc3)C2)C1 |
CCC[C@H](C)C[C@H](C(=O)N[C@@H]1CCOC1)N1Cc2ccnn2C[C@@H]1C |
CS(=O)(=O)NCC(=O)Nc1cncc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 |
C[C@H](OC1CCCC1)C(=O)N(C)Cc1ccccc1CNC(=O)Cn1cnnc1 |
COCC1(CC(=O)NC[C@H](C)C2CCN(C(=O)c3cnc4n3CCC4)CC2)CC1 |
C[C@@H](CCOc1ccccc1)C(=O)N1CC[C@H]2[C@@H](C1)CN2C(=O)CN(C)C(N)=O |
O=C(N[C@H]1CO[C@H]1Cc1ccccc1)NC1(c2cccc(F)c2F)CCCC1 |
O=C(Nc1ccc(F)c(Br)c1O)[C@@H]1C[C@]12CCN(C(=O)c1nc(Br)cs1)C2 |
O=C(CCn1ccnn1)N[C@@H]1CC12CC(NC(=O)c1cnccc1C(F)F)C2 |
C[C@@H](CCNC(=O)CN(C)C)NC(=O)[C@@H](C)OCC1CC1 |
O=C(Nc1nc(Cl)cc(C(F)(F)F)n1)[C@@H]1C[C@@H]2C[C@H]2N1Cc1cnc(Cl)s1 |
CCC=C(CCC)C(=O)NC[C@H](C(=O)NC[C@](C)(OC)C1CC1)C(C)(C)C |
CCc1cc(C(=O)N2C[C@@H]3C[C@H](C2)CN(C(=O)c2cc(COC)cs2)C3)ncn1 |
O=C(NC12CCC(C(=O)N3CC[C@]4(C3)CC4(F)F)(CC1)C2)[C@@H]1CCCCO1 |
C=CC[C@@]1(NC(=O)Cc2nccn2C)CCCN(C(=O)C(F)=CC)C1 |
Cc1nc(C(=O)NCCN(C)C(=O)c2sccc2-n2ccnn2)co1 |
Cc1cc(CNC(=O)C23CC(CN(C(=O)CN4CCC(=O)CC4)C2)C3)sn1 |
C[C@@H](C(=O)N(CC1CCOCC1)c1ccc(Br)cn1)n1ccnc1 |
Cc1cc(F)cc(C(=O)N(C)CCN(C(=O)CCCF)C(C)C)c1O |
CC(C)(C)Oc1ccc(C(=O)N[C@@H]2[C@@H]3CN(C(=O)CCCC(F)(F)F)C[C@@H]32)cc1 |
CCc1ccsc1[C@H](C(=O)NCC(F)F)N1CCc2ccc(OC)cc21 |
C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)CC(=O)N[C@@H](CO)C(C)(C)C |
CN(Cc1ncnn1C)c1nc(NCc2cn(C)[nH]c2=N)c2ncsc2n1 |
CCO[C@@H](C)c1nc(C(=O)NCCC(C)(C)NC(=O)[C@@H](CC)N(CC)CC)cs1 |
O=C(COc1ccc(O)cc1)N1CC(CNC(=O)C23CC(CO2)C3)C1 |
CCCCSCC(=O)N1CCC[C@@H]1[C@H](C)NC(=O)CCN1CC[C@@H](F)C1 |
CCc1cc(C(=O)NC[C@@H](O)CCNC(=O)[C@H]2CCC(F)(F)C2)ccc1Cl |
COc1c[nH]nc1C(=O)N[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(Cl)c(F)c2)C1 |
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