smiles stringlengths 6 131 |
|---|
C#CCN1C(=O)c2ccc(C(=O)N3CC[C@](CC#C)(C(=O)OC)C3)cc2S1(=O)=O |
CC(C)c1occ(C(F)(F)F)c1C(=O)N[C@H]1CCCOC1 |
Cc1nc(Cl)ccc1NC(=O)[C@@H]1CCN(Cc2nn(C)c3ccccc23)C[C@@H]1O |
O=C(CCc1ccc[nH]1)N[C@@H]1CCC[C@H](C(=O)NCCn2ccnn2)CC1 |
CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Oc2cccc(C)c2)C1 |
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC(CNC(=O)c2c(C)ccc3nsnc23)C1 |
Cc1nscc1C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2csc(-c3ccccn3)n2)C1 |
CC(C)C[C@@H](C(=O)N1CCC(N(C)C(=O)C(C)(C)C(F)F)CC1)N(C)C |
Cc1cnn([C@@H](C)C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)C2CCOCC2)c1 |
CCCC(CCC)CC(=O)NCCc1n[nH]cc1C(=O)N[C@H]1CO[C@H](C(C)C)C1 |
O=C(CN1CCN(C(=O)[C@H](F)C2CCC2)CC1)NC[C@H](F)c1ccccc1 |
CC[C@@H](CNC(=O)c1cccc(NS(=O)(=O)C2CC2)c1)NC(=O)[C@H](C)OC |
COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3c(F)cccc32)nc1 |
C=CCC1(C(=O)N2C[C@H]3C[C@H](NC(=O)C4(C5CCC5)CC4)[C@H]2C3)CC=CC1 |
CCN1CCc2cc(CNc3cc(N[C@H]4COC[C@H]4C)nc(C)n3)ccc21 |
CS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)NCCC1=CCN(c2cc(O)nc(O)n2)CC1 |
CC[C@]1(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCCN3CCC(C)C)C2)CCNC1=O |
CC1(C)O[C@@H]2[C@H](O1)[C@H]1CC[C@]2(NS(=O)(=O)c2ccc(NCCC3CC3)c(Br)c2)C1 |
C[C@H]1CCC=C1C(=O)NC1CCC(NC(=O)c2ccc3nn(C)cc3c2)CC1 |
CCC(=Cc1ccccc1)C(=O)N1CCC(C)(CNC(=O)C=CC(N)=O)CC1 |
CCc1ccc(C)c(C(=O)NC[C@@H](C)NC(=O)C[S@](=O)C(F)(F)F)c1 |
COc1ccc(OC=CC(=O)N[C@H]2CCN(C(=O)[C@H](C)CC3CC3)C[C@@H]2O)cc1 |
c1cc2ncc(-c3nc([C@H]4CCCO4)nn3-c3ccc4c(c3)CCO4)cc2[nH]1 |
C[C@@H]1CCCCN1CC(=O)NCc1cc(C(=O)N(C)[C@H](C)C(N)=O)ccn1 |
CC1(OCC(=O)NC2CC(CCNC(=O)c3ccn(C4CC4)n3)C2)CCOCC1 |
Cc1cc(C(=O)N2CCC[C@](CO)(NC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)C2)no1 |
Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N[C@H](C(F)F)C1CC1 |
Cc1cc(C(=O)N[C@H]2COC[C@H]2n2cc([C@@](C)(O)CCO)nn2)c(C)s1 |
COc1ncnc(C)c1C(=O)N1CCC([C@@](C)(O)CNC(=O)CNC=O)CC1 |
CCCC[C@H](CC)C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H](OC)C2)[C@H](C(F)F)C1 |
C[C@@H]1CCCC[C@H]1C(=O)NCc1ocnc1C(=O)N1CC[C@H](C(C)(C)O)C1 |
CCCC[C@H](O)CC(=O)N1CC(CN2CCN(C(=O)CC[C@@H](C)N(C)C)CC2)C1 |
CCNC(=O)[C@H]([C@@H]1CC[C@H](C)C1)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 |
O=C(N[C@H]1C[C@H](F)CN(C(=O)[C@@H](F)C2CCC2)C1)[C@H]1CCc2nnc(O)n2C1 |
C#CC[C@H](NC(=O)C[C@@H]1CCC[C@H]1O)C(=O)N1CC[S@@](=O)C[C@@H]1C |
C[C@@H]1CC[C@H](CCC(=O)NCC(C)(C)S(C)(=O)=O)C(=O)N1 |
C#CCOC(=O)CNC(=O)[C@H]1CN(C(=O)c2cn(C)nc2CC)C[C@@H]1C(C)C |
CC(C)SCC(=O)N1CCN(C(=O)Cn2ncc(C#N)c2N)[C@@H]2C[C@@H]21 |
Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)C2(C)CC2)C1 |
CCC[C@H](CCCNC(=O)c1cnco1)NC(=O)[C@@H](O)c1ccccc1Cl |
CC[C@@H](CN(C)C(=O)c1cn2cc(Cl)cnc2n1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 |
CN(C)C[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 |
FCCCn1nnnc1[C@@H](NC1Cc2cscc2C1)c1cccc(F)c1Br |
CC(C)CNC(=O)C(=O)N(Cc1ncc(C(F)(F)F)cc1F)[C@H]1C[C@H]2CN[C@H]1C2 |
Cc1cc(Cl)c(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)C2(O)CCCC2)cc1F |
Cc1ccsc1-c1ccc(C(=O)NC(C)(C)CCCNC(=O)[C@H]2CCCCO2)s1 |
CC(C)C1CC(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(N3CCCC3)nn2)C1 |
CC(C)(C)n1nccc1C(=O)NC[C@H]1[C@@H]2CN(C(=O)CCn3cnc(=N)[nH]3)C[C@H]12 |
CC(C)(C(=O)NC[C@@H]1C[C@H]1CNC(=O)CC[C@@H]1CC1(Cl)Cl)c1cccnc1 |
COc1ncccc1C(=O)NC1(CCNC(=O)[C@@H](C)C2CCCC2)CCCC1 |
C[C@H]1CCc2nc(C(=O)N(C)CCN(C)C(=O)C[C@H]3COC(C)(C)CO3)cn2C1 |
O=C(NC[C@H]1CCCC2(CCC2)[C@@H]1O)c1cccc(F)c1C(F)F |
CC[C@H](CC(=O)N1CCC(C)(C)[C@@H]1CNC(=O)c1cc(Cl)cs1)C1CC1 |
CC[C@H](CC(=O)N[C@@H]1CC[C@H](O)C1)c1ccc(OC)cc1 |
CCC1=NO[C@H](C(=O)N2CCC[C@@]23CCCN(C(=O)c2cn(C)c(=O)cn2)C3)C1 |
O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C(F)(F)F)C[C@H]1CO |
CC(C)(C)[C@H](CNC(=O)c1cccc2c1OCCO2)NC(=O)[C@]1(C)CCCOC1 |
COC[C@@H](CCNC(=O)[C@H]1CCc2cccc(F)c21)OC |
COC(=O)CCC(=O)Nc1sc2c(c1C(=O)N=c1cc(CCO)[nH][nH]1)CCCC2 |
Cc1ccc(C(=O)N(C)[C@H](CNC(=O)[C@H](C)c2ccccc2)C2CC2)[nH]1 |
C[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CCN2C(=O)C1=NOCC1)C(C)(F)F |
CC1=C[C@@H](C(=O)NCc2cn(CC(=O)N3CC(S(N)(=O)=O)C3)nn2)SC1 |
C=CC[C@@H](CNC(=O)c1ncc(F)cn1)NC(=O)c1cccn1CC=C |
CCCCOCC(=O)N[C@H](C)[C@@H](CO)NC(=O)/C=C/c1nnn(C)n1 |
C[C@@H](NC(=O)C=C[S@](C)=O)C(C)(C)NC(=O)c1cccc2oc(=N)[nH]c12 |
CO[C@H]1C[C@H](C(=O)NC[C@H]2CN(C(=O)C[C@@H]3CNC(=O)C3)CCN2C)C1 |
CN(C[C@H]1CCN(C(=O)CC2(C)CC2)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 |
CC[C@@](C)(OC)C(=O)N1CCC[C@](C)(NC(=O)CCNC(N)=O)C1 |
CO[C@@H](C(=O)NCCCN1CCN(C(=O)[C@@]2(O)CCCC(C)(C)C2)CC1)C1CC1 |
C=CC1(CNC(=O)C[C@H]2CN(C(=O)c3cnc(=N)[nH]c3)C(C)(C)C2)CCOCC1 |
Cc1nc(C(=O)NC[C@H](C)N(C)C(=O)c2cn(CCO)nn2)c(C)s1 |
CCC(=O)NCC(=O)N1CCC[C@@](C)(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)C1 |
C#CC[C@]1(O)C[C@@H](C(=O)N[C@H](C)[C@H]2CCN(C(=O)CCCNS(C)(=O)=O)C2)C1 |
C=Cn1nccc1C(=O)NCC[C@@H](NC(=O)c1c(C)nc(O)nc1SC)C(C)C |
CN(C)C[C@H](O)C(=O)NCC(C)(C)C#CC(=O)NC1(C)CC(C)(C)C1 |
C[C@@H](CNC(=O)c1c(Br)nc2n1CCCC2)CN(C)C(=O)[C@H](C)CF |
C=CCCCC(=O)N1CC[C@@H](CNC(=O)CCc2cn(C)nc2C)C(F)(F)C1 |
CC(C)C(F)C(=O)N[C@H](C)[C@@H](CO)NC(=O)CC1=CSC=N1 |
CSC1(C(=O)NCCN(C(=O)c2nc(=N)cc[nH]2)C2CC2)CC1 |
Cc1cc(C(=O)NC[C@@H]2C[C@H](C)N(C(=O)[C@H]3CCO[C@H]3C)C2)cc2c1NCCC2 |
CC[C@H](C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CCOCCC(C)C)C2)C1CCC(C)CC1 |
Cc1conc1C(=O)N(C)[C@@H](C)CNC(=O)[C@@H](CO)C(F)(F)F |
CC[C@@H](CN(CC)C(=O)c1cc2c(cn1)NC(=O)CO2)NC(=O)C1C[C@@H]2C[C@H]2C1 |
COCCC(=O)N1CCC[C@H]1[C@H]1CCCN1C(=O)c1cncc2ccc(F)cc12 |
CC12COC(C(=O)NCC[C@@H]3CN(C(=O)C[C@@H]4COC(=O)C4)CCO3)(C1)C2 |
CSc1nc(O)c(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)[C@H](C)CC2CCC2)cc1C#N |
Cc1cc(CCC(=O)NCC2CCN(C(=O)c3c(C)ccn3C)CC2)c(C)s1 |
CC(C)C(C)(C)C(=O)NC[C@](F)(C(=O)NC[C@@H]1CCOC(C)(C)C1)C(C)C |
CCC=CC=CC(=O)N1CCC[C@@H]1[C@H]1CCN(C(=O)C2(F)CCCC2)C1 |
CCC(CC)(CO)C(=O)N1CCCCC[C@@H](NC(=O)c2c(O)cccc2OC)C1 |
Cc1cc([C@@H](C(=O)NCC2CN(C(=O)[C@@H](O)C(C)(C)C)C2)C(C)(C)C)ccc1F |
CC=C(F)C(=O)N1CC[C@@H](NC(=O)c2cc(C)n(NC(N)=O)c2C)[C@@H](O)C1 |
Cc1cc(CC(=O)NC[C@@H](NC(=O)C[C@H]2COCC2(C)C)C(C)(C)C)ccc1F |
Cn1cncc(C(=O)N[C@]23CCCN(C(=O)c4cnccn4)C[C@H]2C3)c1=O |
CC#CC[C@H](NC(=O)[C@@H](O)[C@@H](OC)C(C)C)C(=O)NCCC1(O)CCC1 |
CCc1ncc(C(=O)N[C@@H]2CCN(C(=O)CCc3cnc(C)o3)C[C@@H]2O)[nH]1 |
Cc1noc(CNC(=O)COC2CN(C(=O)c3ncccc3Cl)C2)n1 |
CC[C@]1(C(C)C)C[C@@H]1C(=O)NCC1(F)CCN(C(=O)CC(C)(C)C#N)CC1 |
CCn1cc(C(=O)N2C[C@@H](F)C[C@H](NC(=O)c3cnn(CCF)c3)C2)c(C)n1 |
CN(C)CCONC(=O)[C@H](NC(=O)c1cncn1C)[C@@H]1CCOC1 |
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