smiles stringlengths 4 254 |
|---|
Nc1cc(O)cc(C(=O)O)c1 |
COC(=O)[C@H]1CCCNC1 |
NC(=O)N1CCCCCC1 |
C[C@H]1[C@@H](O)C2CCN1CC2 |
C[C@@H](CO)CN(C)C |
N[C@@H](CCO)c1cccc(O)c1 |
C1CC1CN1C[C@H]2C[C@@H]1CN2 |
C[C@@H]1CCC[C@]2(C1)NC(=O)NC2=O |
NC1CCN([C@H]2CCCC[C@@H]2O)CC1 |
CC(C)(C)[C@H]1NCC(=O)N1 |
COC(=O)c1ccc(F)c(NN)c1 |
CCNC(=O)Cn1ccnc1 |
C1CO[C@H](C2CC2)CN1 |
CN1C[C@@]2(CCCNC2)OC1=O |
C1C[C@]2(CCO2)CN1 |
O=C1OCCCCO1 |
COC(=O)CCc1cnn(C)c1 |
O=C(O)c1ccncc1-n1cccn1 |
C[C@H](C(N)=O)C(=O)c1ccncc1 |
CCOC(=O)[C@@H]1[C@H]2CC(=O)C[C@H]21 |
C=CC(=O)NCC[C@@H](O)C(F)(F)F |
CC(F)(F)CCCS(N)(=O)=O |
CC(C)[C@@H](N)[C@]1(O)CCOC1(C)C |
N[C@@H](CCC(F)(F)F)C1(O)COC1 |
C[C@@]1(C(F)F)CNC(=O)C1 |
O=C(O)c1cc2cccn2c(O)n1 |
FC(F)C1=NO[C@H]2CNC[C@@H]12 |
CNC(=O)c1cccc(N)c1 |
O=C1CCCCN1C1CCNCC1 |
CCOC(=O)[C@H]1CCC(=O)C1 |
C[C@H](Nc1ncccn1)C(=O)O |
NCCCNc1ccccn1 |
c1cc([C@@H]2CCCNC2)[nH]n1 |
Nc1noc(-c2cccnc2)n1 |
CCn1cc([C@H](C)O)cn1 |
CCOC(=O)N1CCC[C@@H](CO)C1 |
Cc1cc(CC(=O)O)nn1C |
CC[C@H](N)c1ccn(C)n1 |
O=C1CC(c2cccs2)=NN1 |
CC1(C)CCNCC[S@]1=O |
C/C=C/CC(=O)N1CCO[C@@H](CN)C1 |
CC(C)(C)[C@@H](N)C1(O)CCNCC1 |
O=C(O)C[C@@H]1CNC2(CCOCC2)C1 |
O=C1CCCC[C@@H](O)CNCC1 |
Cc1cc(=O)n2ccc(N)c(O)c2n1 |
C[C@H](O)C(F)(F)F |
CC(=O)CC(C)(C)NC(=S)NN |
CNC(=O)NCc1ccncc1 |
CCc1nc(CCN)no1 |
CNC[C@H](C)CN1CCCC1 |
c1ccc([C@@H]2CNCCO2)nc1 |
O=C(O)CNCc1ccccn1 |
N[C@H]1CN(Cc2ccccc2)C[C@@H]1N |
COc1cc(C=O)cnc1OC |
Nc1cccn2ccnc12 |
C[C@@H]1C[C@H]1N |
COc1ccnc(C(=N)N)c1 |
Cc1c[nH]nc1[C@H]1CNCCO1 |
CCOC(=O)c1nn2c(c1C)OCC2 |
COC(=O)[C@@]12CC[C@@H](N1)C(F)(F)C2 |
O=C(O)[C@H]1C[C@H](F)C1 |
Cc1cc(F)cnc1N1CCNCC1 |
NC[C@@H]1CO[C@H](C(F)(F)F)C1 |
FC1(F)[C@@H]2CCNC[C@@]21F |
NC[C@@H]1COC2(CCC2)CO1 |
O=C(O)[C@@H]1CCCC[C@H]1C(=O)O |
CCOC(=O)COC |
O=C(O)[C@H]1CCCC[C@H]1O |
Cc1c(C)n(O)[n+]([O-])c1C |
CC[C@H](CO)NC(C)C |
CN1C(=O)COc2ccc(N)cc21 |
Cc1ccc([S@](=O)NN)cc1 |
CCN1N=C(C)CC1=O |
O=C(O)CNCc1ccco1 |
COC(=O)c1cnc(OC)nc1OC |
Cc1cc(N)c(=O)[nH]c1C |
COc1ncncc1N |
OCCOc1ncc(Cl)cc1O |
CC1(C)CCN[C@@H]1C(=O)O |
Nc1ncccc1CCO |
O[C@@H]1CC[C@H]2CNC[C@H]2C1 |
CCOCC1(N)CC1 |
CN(C)[C@@H]1CC[C@@H]2CNC[C@@H]21 |
N[C@@H]1CC[C@H]1CC(=O)O |
C[C@H](F)CCN1C(=O)CN(C)C1=O |
C1OC[C@@H]2[C@@H]1[C@@H]1CNC[C@@H]21 |
CC1(C)COC[C@@H](CC(=O)O)O1 |
NCCn1cc([C@@H]2CCOC2)cn1 |
C=CC(=O)N[C@H](C)c1cnnn1C |
O=C1C=C[C@@]2(CC[C@@]23C=CC(=O)O3)O1 |
N[C@H](CCO)C1CC1 |
O=c1cc(O)[nH]c(C(F)(F)F)n1 |
Nc1cc[nH]c(=S)n1 |
CC[C@H](O)CC(=O)O |
CCNC[C@@H]1CCN(C)C1 |
CCC[C@@H]1SC(N)=NC1=O |
COc1nc(Cl)ncc1N |
NC[C@H]1CC1(F)F |
CNC(C)(C)C[C@H](C)O |
O=C1C[C@@H](c2ccoc2)CN1 |
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