smiles stringlengths 6 131 |
|---|
Cc1cccc(C)c1[C@H](O)C(=O)N[C@H](CO)[C@H](C)NC(=O)C=CCO |
CCN(CCCNC(=O)C1=CCC(C)(C)CC1)C(=O)CC1(COC)CC1 |
C[C@@H](CNC(=O)CCC1CCC(=O)N1)CNC(=O)C(C)(C)C |
C[C@H](C(=O)N(C)c1ccccc1)N1CC[C@@H](N(C)C(=O)C2CC3(CCC3)C2)C1 |
CO[C@@H]1CCC[C@H](Oc2ccnc(NCc3nc(C)ccc3F)n2)C1 |
CC(C)C[C@@H](O)[C@@H](C)C(=O)NCC(C)(C)CNC(=O)CC1CCC=CCC1 |
NC(=O)c1cc(C(=O)NC[C@H]2C[C@H](NC(=O)CCc3nccs3)C2)on1 |
C#CCC1(C(=O)NC[C@@H](C(=O)N(C)CC2CN(C)C2)N(C)C)CCCC1 |
C=CCCOCC(=O)NC(C)(C)[C@@H](C)NC(=O)c1ccc(C2CC2)o1 |
O=C(NCc1cccc(OC(F)F)c1)[C@H]1CCN1Cc1ccc(O)nc1 |
CS(=O)(=O)C1(C(=O)NCCN(C(=O)[C@H]2CCCC2(F)F)C2CCCCCC2)CC1 |
Cc1c(NCC[C@@H](C)c2cn[nH]c2)nc[nH]c1=NCCc1cnn[nH]1 |
C[C@@H](C(=O)N1CC[C@]2(CCCN2C(=O)C2C3(CC3)C23CC3)C1)c1cccc(F)c1 |
COCCN(CCNC(=O)[C@@H](O)C(F)F)C(=O)c1ccc([N+](=O)[O-])c(C)n1 |
COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCCNC(=O)Nc1ccccc1)CCO2 |
Cc1nn[nH]c1C(=O)N1CC(C(=O)NCc2ccoc2)C1 |
O=C1CCc2ccc(OCCCC(=O)OCc3cnc4ccccc4c3)cc2N1 |
CCC1(C(=O)N2CCN3C(=O)[C@@H](NC(=O)CCCCC(C)(C)C)C[C@@H]3C2)CC1 |
CCCN(C(=O)C=Cc1cncs1)[C@@H]1CCN(C(=O)[C@H](C)Cc2ccnn2C)C1 |
CN(C)Cc1ccsc1C(=O)N1CCC(=CCNC(=O)[C@@H]2C[C@H]2F)CC1 |
C#CC1(C(=O)N(CC)Cc2ccccc2)CN(C(=O)c2cccn3nccc23)C1 |
Cc1ccc(CN2CCN(c3nccc(C(C)C)n3)CC2)cc1I |
COc1cc(C(=O)NCC(C)(C)NC(=O)/C=C/c2cccc(Br)c2)ncn1 |
C[C@@H]1CC[C@@H](NC(=O)C2(CC(F)F)CC2)CN1C(=O)c1c[nH]nc1C1CC1 |
CNC(=O)C1(C(=O)NCCCCCCC(=O)N2CC[C@@](O)(C(C)C)C2)CCC1 |
C=CC[C@H](CNC(=O)c1cc2ccc(Cl)cc2o1)NC(=O)[C@@]1(C)CCCN1C |
Cc1cccc2c(CN(C)C[C@@H]3CCCN(C(=O)CCC4CCCC4)C3)c[nH]c12 |
CC(C)(O)[C@@H](F)C(=O)N1CCC[C@@H](CN2CCN(C(=O)C(=O)NC3CC3)CC2)C1 |
CC(=CC(=O)NCC12CC(CN1C(=O)[C@@H](C)CC1CC1)C2)c1ccccc1C |
CN(Cc1cc(Cl)cc(Br)c1)[C@H]1CC[C@H](O)CC1 |
CCN(C[C@H](C)NC(=O)c1cc(O)nc(C)n1)C(=O)C[C@@H]1COC[C@H]1O |
CCC[C@H](C)C(=O)N1CC2(CC(NC(=O)[C@H]3C[C@H]4C=C[C@H]3N(C(=O)OC)C4)C2)C1 |
CN1CCCC[C@H]1C(=O)N(C[C@@H]1CCCN1C(=O)CC1OCCCO1)C1CC1 |
C[C@H](CCc1ccc(Cl)cc1)NC(C)(C)Cc1cccc(Br)c1 |
Cc1c[nH]cc1C(=O)N(C)CC1CCN(C(=O)c2cc(C(F)(F)F)cn2C)CC1 |
COc1cn(C)c(C(=O)N2CC[C@H](C)[C@@H](NC(=O)c3nncn3C)C2)cc1=O |
O=C(NC[C@]1(F)C[C@H](NC(=O)[C@]2(F)CC=CCC2)C1)c1cc2c(Cl)cccc2[nH]1 |
CC[C@@]1(C(=O)NCC23CC(NC(=O)c4nccn4C)(C2)C(C)(C)O3)CCNC1=O |
CCCSCC(=O)N[C@@]12CC[C@@H](C1)N(C(=O)c1ncc(Br)cc1O)C2 |
C=C1CC(COC)(C(=O)N2CC[C@H](CN(C)C(=O)COC3(C)CCCC3)C2)C1 |
CC(C)Cc1ccc(CC(=O)Oc2cccc(-n3cccn3)c2)cc1 |
CC1(C)[C@@H](CC(=O)N2CCC(N3CCC3)CC2)C[C@H]1NC(=O)c1ccsc1 |
CN1CCC[C@](O)(CC(=O)N2CCC[C@H]2C2(NC(=O)CC3OCCCO3)CC2)C1 |
C[C@H]1OCC[C@@]1(NCC1CC(C)(C)CC(C)(C)C1)c1nnnn1CCC1CC1 |
CC(C)=C(Br)C(=O)N[C@H](C)C1(O)CN(C(=O)c2cnn(C)c2N)C1 |
CCc1ccc(NC(=O)C[C@H]2C[C@H]2CNC(=O)C2(C(C)=O)CC2)cc1 |
CCCc1cc(C(=O)NCC[C@H]2C[C@@H](NC(=O)c3cccc(CF)c3)C2)n[nH]1 |
C[C@@]1(c2ccccc2)CN(C(=O)C[C@H](Cc2ccccc2)C(=O)O)CCO1 |
CC(C)=C(Br)C(=O)N[C@H]1CN(C(=O)c2cccc(O)c2C)Cc2nccn2C1 |
CCC[C@H](C(=O)N1CCCO[C@H](CNC(=O)c2cc(N)c(F)cc2F)C1)C(C)C |
COC(=O)c1ccc(F)c(C(=O)N(C)Cc2ccncc2)c1 |
CCCCC[C@H](CC)C(=O)N1CCC[C@@H](CNC(=O)c2oc(C)nc2C)C1 |
Cc1nc(C(=O)NC2CN(C(=O)CNS(=O)(=O)c3ccccc3F)C2)nn1C |
O=C(NCCC1(C(=O)N[C@H]2CCOC[C@@H]2F)CCC1)c1ccon1 |
COCCC1(C(=O)N2C[C@H](F)[C@H](NC(=O)CC3C[C@@H]4C[C@H]4C3)C2)CC1 |
CCOC[C@@H](C)CNC(=O)[C@@H]1CCCN(C(=O)C2(OC)CCCC2)C1 |
Cc1cnc(CN[C@H]2CC[C@H](CC(=O)N3C[C@@H](F)[C@H](F)C3)CC2)cn1 |
C[C@H](NC(=O)[C@H]([C@@H](C)C1CC1)N1C[C@H]2C[C@@H]3CCCN3[C@H]2C1)c1ccccc1 |
C#CCOCCC(=O)N[C@@H](C)[C@H](C)C(=O)NCc1cc(F)cc(F)c1 |
CC(C)(CCCO)CNC(=O)[C@@H](CNC(=O)C1CCSCC1)CC1CCCC1 |
O=S(=O)(N=S1(=O)CCCC1)N1CCOC(CN2CCOCC2)C1 |
CC1(C)CCC=C(C(=O)N2CCO[C@H]3CCN(C(=O)C4=C(Cl)CCC4)C[C@H]32)C1 |
C[C@@H](C(=O)N1CCN(C(=O)c2cnc3cnccc3c2)C[C@H]1C)c1ccccc1 |
CSCC1(C(=O)N2CC[C@H](C(=O)N[C@@H](C)CC(C)(C)O)O2)CC1 |
Cc1onc(CC(=O)N[C@@H]2C[C@@H]2CNC(=O)c2nnn(C)c2C)c1C#N |
CC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@H]2C(=O)Nc2c[nH]c3ccc(Br)cc23)n1 |
Cc1ncc(CN(C)c2ccc(S(=O)(=O)NC3[C@H](C)[C@H]3C)cc2Br)s1 |
CN(CC(C)(C)C(=O)N1CC(CC(C)(C)C)C1)C(=O)CCN1CCCC1=O |
Cc1cc(C(=O)NC[C@@H](C)C(=O)N[C@@H](CO)c2ccccc2)sn1 |
COc1nccc(C(=O)NC[C@H](NC(=O)c2csc(NC(C)=O)n2)C(C)(C)C)n1 |
O=C(NC1CCC2(CCN(C(=O)C=CC3CC3)CC2)C1)C1=CC=CC2=C1NN=C2 |
CN1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccncc2)CC1 |
CCOCCC1(CNC(=O)C23CCC(NC(=O)c4cnnc(C)c4)(CC2)C3)CC1 |
C[C@H](C#N)CCC(=O)Nc1cccc(NC(=O)CNC(=O)NCC2CCCC2)c1 |
CCC[C@H]1CN(C(=O)c2cc(OC)ccc2N)CCN1C(=O)c1cc(C)[nH]n1 |
O=C(NC[C@H](O)c1ccccn1)C1=C(F)CN(C(=O)C=CCO)CC1 |
Cn1nnc2cc(C(=O)N3CC(NC(=O)C4C[C@H]5COC[C@@H](C4)C5=O)C3)cnc21 |
CNC(=O)NCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C(=O)NCC(F)F |
CCc1cc(N)ccc1C(=O)N[C@H]1C[C@H]2C[C@H](NC(=O)C3CN(C)C3)C[C@@H]12 |
C[C@H](F)CC(=O)NCCCNC(=O)[C@@H](Cc1ccccc1F)N(C)C |
CN=c1cc(C(=O)N2CCN([C@@H]3CCCN(C(=O)C=CSC)C3)C(=O)C2)cc[nH]1 |
COCc1ncc(C(=O)NCc2cc(Cl)c[nH]c2=N)c(O)n1 |
CCc1nc(CNC(=O)[C@H]2CCN(C(=O)c3ncc[nH]3)C(C)(C)C2)cs1 |
CC(C)c1nccn1CC(=O)NC1(CCNC(=O)[C@@H](C)N2CCOCC2)CCC1 |
O=C(C[C@@H]1CCCC[C@H]1O)N[C@@H]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COc2ccccc21 |
C=CC(=O)NCC[C@H]1CCCCN1C(=O)[C@@H](C)Cn1ccc(C)n1 |
C[C@H](CNC(=O)C[C@@H]1CCCO1)NC(=O)C[C@@H]1CCCCC1(C)C |
CC(C)N1CCC(N=c2[nH]c(N3CCC[C@@](C)(CO)C3)nc3c2CCCC3)CC1 |
CC[C@H](C(=O)N(C)[C@@H](CNC(=O)c1c(C)cc[nH]c1=N)C1CC1)C1CCOCC1 |
C=C(C)[C@](C)(O)C(=O)N[C@@H](CNC(=O)c1cc[nH]n1)CC(F)(F)F |
[N-]=[N+]=N[C@H]1CCCC[C@H]1C(=O)NC[C@@]1(NC(=O)c2cnc(S)nc2)CCOC1 |
CC1(C)CCO[C@@H]1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](F)C1CCCC1 |
CNC(=O)C1CCN(C(=O)[C@H](O)CCCNC(=O)c2ccc3[nH]ccc3n2)CC1 |
CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C(=O)c2cscn2)[C@H](CC)C1 |
C=CC[C@@]1(C(=O)NC2(c3ncccn3)CC2)CCCN1C(=O)CCOCC1CC1 |
O=C(N[C@H]1COCCN(C(=O)[C@@H]2CCOC2)C1)c1cc2cc(F)ccc2[nH]1 |
CCc1cnsc1C(=O)N1C[C@H]2CCC[C@@]2(CNC(=O)CC[C@@H](CC)OC)C1 |
C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(O)nc(Cl)c1)C2 |
CO[C@@H](C(C)C)[C@@H](O)C(=O)NCCN(C(=O)[C@H]1[C@H]2CCC(F)(F)[C@@H]12)C(C)C |
CSC(C)(C)/C=C/C(=O)N[C@@](C)(CNC(=O)C12CC(C(C)C)(CO1)C2)C(C)C |
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