smiles stringlengths 6 131 |
|---|
CC[C@H]1C[C@H]1C(=O)N(C)CC(C)(C)NC(=O)C(C)=C1CCC1 |
CCCC1CC(C(=O)N2[C@H]3CC[C@H](C(=O)N[C@]4(CO)C[C@H](OC)C4)[C@H]2CC3)C1 |
Cc1cc(CN[C@@H]2C[C@H]2C(=O)Nc2ccnc(-c3ccco3)c2)ccn1 |
O=C1CC[C@@H](C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)c2cc3c(s2)CCCCCC3)C1 |
CSc1cnn(C)c1C(=O)NC1CCCN(C(=O)[C@H](C)n2cc(C)cn2)CCC1 |
CCN(C[C@H](C)NC(=O)C(F)(F)c1cccc(OC)c1)C(=O)C12CCC(C1)C2 |
C[C@@H](NC(=O)c1ccc2cc[nH]c2n1)[C@H]1CCCN(C(=O)c2cnncc2O)C1 |
Cc1cc2c(c(C(=O)N[C@@H]3CC[C@H](CNC(=O)C#CC(C)(C)C)C3)c1)OCC2 |
CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@](C)(NC(=O)Cc2cncn2C)C1 |
CC1CC(CCC(=O)N2CCOC[C@@H]2CNC(=O)c2cc3c(=O)[nH]ccn3n2)C1 |
Cn1nc(CC(=O)NCC2CC3(C2)CC(NC(=O)CC[S@@](C)=O)C3)cc1Cl |
O=C(N=[S@]1(=O)CCC2(C1)OCCO2)[C@H]1CCC(=O)N1CCC(F)(F)F |
C=CCC1(NC(=O)c2cc(C)c(Cl)s2)CN(C(=O)[C@H](C2CC2)N2CCCC2)C1 |
Cc1cnn([C@H](C)C(=O)N2CC[C@@H]3CN(C(=O)c4cnccc4Br)CC[C@H]32)c1 |
Cc1cnn(C)c1CC(=O)NCC[C@H](C)NC(=O)C=Cc1cnn(C)c1C |
Cc1cc(Br)ccc1NC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1 |
COC[C@@H](NC(=O)C=CC(=O)NCc1cccnc1)C(C)C |
COCCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCn3ccnc3)C2)CCN(C)CC1 |
CN(C)C[C@@H](NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCCS2)C12CC2)C(C)(C)C |
C=CCOCC(=O)NCCN(C(=O)c1ccc([C@]2(C)CC2(F)F)cc1)C(C)C |
CCc1ccc(C)c(C(=O)NC2CN(C(=O)c3ccn(CC#N)n3)C2)c1 |
CCC[C@@H](C(=O)NCC[C@H]1CN(C(=O)Cc2ccc(C)s2)CCS1(=O)=O)N(C)C |
CC[C@H](O)C(=O)N[C@@]12CC[C@@](CNC(=O)c3cncc(-n4ccnc4)n3)(C1)OC2 |
CCC[C@H](CCCO)C(=O)NCC[C@H](C)NC(=O)c1cc(C)n(CC2CC2)c1C |
Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CCn2nc(C)c(I)c2C1 |
CC(C)C[C@H](CNC(=O)Cc1cccc(F)c1F)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 |
CN(C[C@@H]1CCCN1C(=O)CC[C@H]1C[C@@H]1CC1CC1)C(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 |
CC[C@H](CNC(=O)Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2C=CC[C@@H](C2)C1 |
Cc1cc(C)n2ccc(C(=O)N(C)[C@@H](C)CCNC(=O)[C@H](C)C3CC3)c2n1 |
Cc1noc([C@@H](C)NC(=O)[C@H]2C[C@@](C)(NC(=O)c3cc(C)c(C)nn3)C2)n1 |
CO[C@@H](C)CN(C)C(=O)CCC1(C)CN(C(=O)C2=NOCC2)C1 |
CCn1cc(CC(=O)N2C[C@H]3[C@@H](NC(=O)c4cn(C)c(C)cc4=O)C[C@H]3C2)cn1 |
CN(C)C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)CCCc1cccnc1 |
CC[C@@H](C)[C@@H](O)CC(=O)N1CC2(C(=O)NOCC(=O)N(C)C)CCC1CC2 |
Cc1cc(C)nc(C(=O)NC[C@@H]2N(C(=O)c3cc(Cl)cn3C)CCCC2(C)C)c1 |
Cc1cc(CC(=O)NCC2=CCN(C(=O)c3nccc(C)n3)CC2)ccn1 |
C=CC=CCC(=O)N(CC(C)C)C1CCN(C(=O)C(C)(C)CC(=O)OC)CC1 |
COCc1cccc(C(=O)NC23CC(CNC(=O)c4cncc(OC)c4)(C2)C3)c1 |
CC(C)c1c[nH]nc1C(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)C1(C)C[C@@H]3C[C@H]3C1)C2 |
Cc1ncc(C(=O)N2CC[C@@H](C(=O)N(C)Cc3cc(=O)cc[nH]3)C2)cn1 |
CO[C@H]1C[C@@H](C)CN(c2cc(NCCc3nnc4ccccn34)ncn2)C1 |
CCOCC(=O)NC[C@]1(CNC(=O)C(F)(F)c2cnc(Cl)c(C)c2)CC12CCC2 |
CN(CCC(=O)O)C(=O)C(=O)N1CC[C@H](CCF)C1 |
CC(C)Cc1ccc(CN[C@@H](c2nnnn2C2(C)CC2)C2(C)COC2)cc1 |
CN=c1[nH]c(C(=O)NCC[C@@H](C)NC(=O)c2cnn3ccncc23)cs1 |
Cc1nc(CC(F)(F)F)sc1C(=O)NC(C)(C)C1CCN(C(=O)C(C)(F)F)CC1 |
Cc1sccc1C(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1C |
C=C(C(=O)N1C[C@H](CN2CCC(N3C(=O)CSC3=O)CC2)CC1=O)C(F)(F)F |
CC(=CC(=O)NCC(C)(C)C[C@@H](C)O)CNC(=O)C[C@@H]1CC2(CC2)CO1 |
C#CC[C@@]1(C(=O)N2C[C@H](N(C)C(=O)c3cnccc3Cl)C(C)(C)C2)CCCO1 |
CC(C)[C@@H]1CCC[C@@H](N=c2[nH]c(=NCCCNS(C)(=O)=O)[nH]c3c2CCC3)CC1 |
CO[C@H](CC1CCC1)C(=O)N1CC2(CCC2)C[C@H]1C(=O)NC[C@H]1CC1(Cl)Cl |
CSc1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCC[C@@H]2CC(C)C)o1 |
Cc1cc[nH]c(=NCCCCCCN(C)C(=O)c2c(C)cccc2[N+](=O)[O-])n1 |
CCC(CC)(CO)C(=O)N1CCN(C(=O)c2ccnn2CC#N)CC1 |
CN(C)C(=O)C(=O)N1C[C@H](C(=O)N2CC(n3ccnn3)C2)C(F)(F)C1 |
CCN(CCN(C)C)Cc1cc(-c2cc(Cl)c(O)cc2C)cs1 |
CC(C)=CCCC(=O)N1CC[C@](F)(C(=O)N[C@@H](C#N)c2ccccc2)C1 |
CCc1ccc(NNC(=O)C(CC)(CC)c2ccc(Cl)cc2)cc1 |
COC[C@@H]1CCCN1NC(=O)CCNC(=O)[C@@H]1C[C@H]1C |
O=C(Nc1ccoc1)NC1(Cc2cccc(Cl)n2)CCC1 |
Cc1nccc(C(=O)N(C)[C@@H]2C[C@H]3C[C@@H]2N(C(=O)[C@H]2CCCC24CC4)C3)c1C |
N#C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1NC(=O)CSc1ncccn1 |
COC[C@@H](Nc1cc(OC)ccc1F)[C@@H]1CCCN1C(=O)OC(C)(C)C |
O=C(NC1CN(C(=O)C23CCCC2CCC3)C1)[C@@H]1CCC[C@@H]1c1ccccc1 |
O=C(CCn1cccc1)NC12CCCC(NC(=O)c3ccccc3Br)(C1)C2 |
CC(C)CC(=O)N1CC[C@H](NC(=O)c2cccc3[nH]c(=N)oc23)C1 |
Cc1ncc(Br)cc1C(=O)N[C@]12CCN(C(=O)C3=NOC(C)(C)C3)C[C@H]1C2 |
N#CC1(C(=O)Nc2cccc(CNC(=O)CC[C@H]3CNC(=O)N3)c2)CCSCC1 |
CCCCSCC(=O)NC1CC(CCNC(=O)[C@H](O)CCCC)C1 |
CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2C)C[C@@H]1C(C)(C)C |
CCc1nnsc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)C1CC(F)(F)C1 |
Cc1ccc(CCCC(=O)N(C)C[C@@H]2CN(C(=O)Cn3ccc(=N)[nH]3)CCO2)s1 |
CCC(F)(F)C(=O)NC[C@@]1(O)CCCN(C(=O)c2nn(C)nc2C)C1 |
C[C@H](NC(=O)CCCC(F)(F)C(F)(F)F)[C@@H]1CCCCN1C(=O)CCC(C)(C)F |
CCc1noc(C(=O)NCCC2CCN(C(=O)[C@@H]3C[C@@H]4C[C@H]4C[C@H]3C)CC2)n1 |
C#CCN(CCC(=O)N1Cc2cccnc2C1)C(=O)[C@@H]1CC[C@H]1C#N |
C=CCC1(C(=O)N2C[C@@H](NC(=O)C3=CCCC3)C(C)(C)C2)CCOCC1 |
CC[C@@H](C)[C@@H](O)C(=O)NC[C@@H](NC(=O)c1cc[nH]c2nccc1-2)C(C)C |
CN(C)C1(CC(=O)N2C[C@H]3C[C@@H](NC(=O)c4cn[nH]c4)C[C@H]2C3)CCCC1 |
C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)C[C@@H]1NC(=O)Cc1ccc(Cl)cn1 |
CC/C=C/CC(=O)N[C@H]1[C@@H]2CN(C(=O)Cc3csc4cccc(F)c34)C[C@@H]21 |
Cc1cc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)n(CCC#N)n1 |
O=C(C[C@@H]1CCCO1)NCC[C@H]1CCCCN1C(=O)c1cc2cc(F)ccc2[nH]1 |
C[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)Cc2ncccc2F)CC1(F)F |
CCN1CCC(C(=O)N2CC[C@](CF)(C(=O)N3CC(NC(=O)C4CC4)C3)C2)CC1 |
COC(=O)CC(=O)N1CCC(CCN2CCN(C(=O)c3coc(Cl)n3)CC2)CC1 |
C[C@@H]1CCC=C1C(=O)N1C[C@@H](NC(=O)C[C@H]2C[C@H]3CC[C@@H]2O3)C2(CCCC2)C1 |
CCCSCCC(=O)NCCCCn1cc(-c2cc(F)ccc2C)nn1 |
CC[C@@](C)(O)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CN2CCCNS2(=O)=O)C1 |
CCC[C@@H]1CCC[C@@H]1C(=O)NC[C@]1(C2CC2)CCN(C(=O)CNC(C)=O)C1 |
CS[C@H](C)CCC(=O)NCCCC1CCN(C(=O)[C@H](C)Cn2ccnc2)CC1 |
CCOCCCC(=O)N1CC[C@@H]([C@@H](F)C(=O)NC2CCC(C)(C)CC2)C1 |
O=C(N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)COc1ccc(Cl)nc1)C2)c1ccon1 |
CC[C@H](C)[C@@H](O)CC(=O)NCC1(C(=O)NC[C@@](C)(O)CN(C)C)CC=CC1 |
CC(C)(Oc1ccc2ccccc2c1)c1nc(-c2ccc(S(N)(=O)=O)cc2)no1 |
C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1C(C)(C)C1(F)F)C1CCCC1 |
Cc1cc(C(=O)N2CC[C@](CNC(=O)CCCc3cnn[nH]3)(C(F)F)C2)n(C)n1 |
CC[C@H](CN(C)C)C(=O)N1[C@H](C2CC2)CC[C@@H]1C(=O)NC[C@@]1(O)C[C@H]2C=C[C@@H]1C2 |
COc1cccc(Cl)c1CC(=O)NC1CN(C(=O)c2cc(SC)oc2C)C1 |
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