smiles stringlengths 6 131 |
|---|
O=C(CCn1ccnc1)NC[C@@H](O)CCNC(=O)[C@H]1CCC2(CC2)C1 |
CNC(=O)C1(C(=O)N2CC3CC2(CNC(=O)Cn2cc(Br)cn2)C3)CC1 |
COc1c(C(=O)N[C@@H](CNC(=O)c2cnc(Cl)[nH]2)CC(C)C)occc1=O |
C[C@@H](C(=O)N[C@H]1CO[C@@H]2[C@@H](NC(=O)C=Cc3cccc(Cl)c3)CO[C@H]12)C(F)(F)F |
CS(=O)(=O)c1ncccc1CNC(=O)CCCCC1CCCC1 |
CCCN(CCNC(=O)C1=CCc2ccccc21)C(=O)c1occc1Cl |
COc1ccc(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)O3)C(C)(C)C2)c(F)n1 |
COC1(CC(=O)O[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCCC1 |
C[C@H](Cc1ccnn1C)C(=O)N[C@H]1C[C@H](NC(=O)CN2CCOC2=O)C1 |
CO[C@]1(C)CCCN(C(=O)[C@H]2CCOC[C@H]2NC(=O)Cn2ccnc2)C1 |
Cc1n[nH]c(C)c1SCC(=O)N[C@@H]1CCC[C@H](NC(=O)C=Cc2cc[nH]c2)CC1 |
CC(=O)N(C)CCCC(=O)N1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)[C@@H](CF)C1 |
CN(C)[C@@H]1CCC[C@@H]1CNC(=O)C1=CC[C@H](NC(=O)[C@H]2COC(=O)N2C)C1 |
CCN(C(=O)[C@H](C)CC1CCC1)[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 |
CON=CC(=O)NCc1ccoc1C(=O)N[C@H](C)[C@H](C)O |
C[C@]1(CNC(=O)C[C@H]2CCCS2(=O)=O)CCCN1C(=O)CCCCCC#N |
NC(=O)NC(=O)CNc1ccc(C(F)(F)F)c(I)c1 |
CC(=O)O[C@H]1C[C@@H]1C(=O)N1[C@H](C(=O)N(C)[C@@H](C)c2ccccn2)C[C@@H]2C[C@@H]21 |
O=C(CCc1cnco1)NC1(C2CN(C(=O)c3cc(O)ccc3Cl)C2)CC1 |
C#CC1(OCC(=O)N[C@H](CCC2CCC2)C(=O)N[C@H]2C=CC(C)(C)CC2)COC1 |
C[C@H](CC(F)(F)F)C(=O)NC(C)(C)CCNC(=O)c1ccc(F)cn1 |
CCOc1sccc1C(=O)N1C[C@@H](CNC(=O)c2coc(Cl)n2)CC(C)(C)C1 |
O=S(=O)(C1CC(C(F)(F)F)C1)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 |
CC1(C)[C@H](C(=O)NC[C@]2(C)CC(F)(F)CN2C(=O)CCOCC(F)F)C1(F)F |
CC(C)(C)[C@@H](CNC(=O)CC1(C2CC2)CC1)NC(=O)[C@H]1Cc2ccccc21 |
CN1CCC[C@H]1C=CC(=O)N[C@@H]1CC[C@H](CCC(=O)NC[C@@H](CO)C(F)(F)F)C1 |
CO[C@H](C)[C@@H](C(=O)N1CC(CNC(=O)CCc2nncn2C)(C(N)=O)C1)N(C)C |
Cc1nc2cncc(C(=O)N3CC[C@H](CNC(=O)[C@@H](C)N4CCC4)C3(C)C)c2[nH]1 |
CN1CC(C(=O)N[C@H]2C[C@@H]2NC(=O)c2cnc3cc(Br)ccn23)C1 |
C[C@@](O)(CNC(=O)[C@@H]1CCCS1)C1CCN(C(=O)/C(Cl)=C/Cl)CC1 |
CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@]1(CO)CCN(C(=O)/C(Cl)=C/Cl)C1 |
COCC1(NC(=O)C[C@@]2(C)C[C@]2(F)Cl)CCN(C(=O)Cc2cnc(C)s2)CC1 |
C[C@H]1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)[C@@H](C)[C@H]1NC(=O)c1coc(O)n1 |
CCC(CC)OCC(=O)N1CC[C@](CC)(C(=O)N2CCCC2)C1 |
O=C(CC12CCC(CC1)C2)NCC[C@@H]1CC[C@@H](NC(=O)c2cc(O)nc(Cl)c2)C1 |
CCOC(=O)CCC(=O)NC[C@]12CCCC[C@@H]1CN(C(=O)COCCN(C)C)C2 |
Cc1cccc(F)c1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[C@H](N(C)C)C2)C1 |
CO[C@H](C)CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@H]1CCCCO1 |
CC[C@H](OC)C(=O)N1CCN(C(=O)c2ccn(CC(F)F)n2)[C@@H](CO)C1 |
CSc1cc(C(=O)NC[C@@H]2COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)ccc1F |
CSc1cccnc1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cc2nc(C)sc2[nH]1 |
CC1=C(C(=O)NCCCCC(=O)NC2(C)CCC3(CC3)CC2)CC1 |
O=C([C@H](O)C1CCOCC1)N1CCN(C(=O)c2cc[nH]n2)[C@H](CC(F)F)C1 |
CC(C)(C)c1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)CO)s1 |
COCCNC(=O)CNC(=O)[C@@H]1CC[C@H](O)CN1C(=O)[C@@H]1C[C@H]2CC(=O)[C@H]1O2 |
CCCC=C(CC)C(=O)N[C@@H](C)/C=C/C(=O)N1CCCC[C@@H]1CC(C)C |
O=C(N[C@@H]1CCN(C(=O)c2cnc(C3CC3)s2)C12CCC2)C1=CCCC1 |
CCC[C@@](C)(O)C(=O)N(C)CC1(O)CN(C(=O)C[C@@H](O)CC(C)(C)C)C1 |
CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(N(C)CCOCCO)c(Br)c1 |
CSCCCCCC(=O)N[C@@H]1CN(C(=O)c2cocn2)CCc2ccccc21 |
CN(C)CCCC(=O)N1[C@H](C(=O)N(C)Cc2cnn[nH]2)C[C@@H]2C[C@@H]21 |
CC(C)(C[C@@H](F)C(=O)N1C[C@@H](O)CO1)NC(=O)COc1ccsn1 |
CC(=O)N[C@H](C)CNC(=O)C1=C2C(=CC=C1)OCC(=O)N2C |
C=C(C)CC(=O)N[C@H]1CCCN(C(=O)CN(C(=O)OC(C)(C)C)C2CCC2)[C@@H]1C |
C=C[C@@H](CC)CC(=O)N[C@H](C(=O)N1C[C@@H]2[C@H](C1)C2(F)F)C(C)(C)O |
C#CCCC[C@H](C)C(=O)NC(C)(C)CCCCNC(=O)Cn1cncn1 |
C[C@H](NS(=O)(=O)c1ccc(N2CCC[C@@H](CC(F)F)C2)c(Br)c1)c1ccn(C)n1 |
C=C(C)CCCC(=O)NCCCC(C)(C)NC(=O)[C@@H]1CC[C@H](c2cc[nH]n2)O1 |
Cc1cc(=O)c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)c4ccc(O)cn4)C[C@H]32)c[nH]1 |
CSc1cccc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)C3(O)CCCC3)C2)n1 |
COc1nc(C(=O)N[C@]23C[C@H]2CN(C(=O)c2cc4c(nc2O)CCCC4)C3)co1 |
COC(=O)c1c[nH][nH]c1=NC(=O)[C@H]1COCCN1C(=O)C[C@@H]1CCCCO1 |
C[C@@H](CC1CCN(C(=O)[C@H]2CC=CCC2)CC1)NC(=O)C1(CC(F)F)CC1 |
CO[C@H](C(=O)N[C@@H](Cn1cncn1)C(=O)NCCc1ccc(F)cc1)C1CC1 |
COCCN1CCN(C(=O)[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)/C=C/c2ccoc2)CC1 |
CCC(CC)(CNC(=O)C1CCC(=C(F)F)CC1)NC(=O)[C@H]1C[C@H]1c1cccs1 |
CN=c1cc(C(=O)NCC[C@H]2CC[C@@H](NC(=O)c3cc(C(C)C)no3)C2)cc[nH]1 |
COc1ccc(-c2cc[nH]c(=NCC=CCNC(=O)C(C)(C)C3CC3)n2)cc1 |
CC(C)(C)NC(=O)[C@H](c1ccc(-n2cncn2)cc1)N1CCC[C@](C)(F)C1 |
C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[C@@H](NC(=O)CCc2nccs2)C3)C[C@H]2CC[C@@H]1O2 |
C=C=C[C@@H](C)C(=O)N1CCC(C(C)(C)NC(=O)c2cc(C(F)F)ccc2C)CC1 |
CCc1ccc(-c2cc(C(=O)O[C@@H](C)c3ccc(Br)cc3C(F)(F)F)no2)cc1 |
O=C(CCC(F)F)NC[C@@H]1C=CCN1C(=O)COc1ccc(Cl)cc1F |
CCOc1ccccc1C(=O)NCCCN(C(=O)[C@H]1CC[C@H](C)C1)C1CC1 |
Cc1cc(C#N)cc(C(=O)NC[C@@H]2C[C@@H](O)CN2C(=O)[C@H](F)n2cccn2)n1 |
Cc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1ccc(F)cc1C(C)C |
CCN1CC[C@H](C(=O)N2CCC[C@@H](CN(CC)C(=O)c3cc(F)ccc3Cl)C2)C1 |
CCC(CC)C[C@@H](F)C(=O)N(C)C1(C(=O)N[C@H]2CCCC(C)(C)C2)CC1 |
C[C@@H](CCNC(=O)c1coc2cc(F)ccc12)N(C)C(=O)c1cccc(N)c1 |
Cc1ncc(NC(=O)[C@@H]2C[C@H](C)CN2C(=O)c2cccc(F)c2C)cc1F |
Cc1ccc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2cnc3n2CCCC3)s1 |
C[C@@H](O)CCCNCc1ccc(N(C)C)s1 |
C#C[C@H](NC(=O)[C@H]1C=CCCN1C(=O)CC=C=C)C(C)(C)C |
COc1cccc2c1[C@H](C(=O)NC1CN(C(=O)c3sccc3S(N)(=O)=O)C1)CC2 |
C[C@H]1CN(C)CCN(c2ccnc(NC[C@H]3CC34CCC4)n2)C1 |
CS[C@@H](C(=O)N1C[C@H]2[C@H](CN(C)C(=O)[C@H](CO)NC(=O)C(C)C)[C@H]2C1)C1CC1 |
CC(C)[C@](C)(CNc1[nH]c(=O)n(C)c(=O)c1C#N)NC(=O)[C@H]1CCCS(=O)(=O)C1 |
CSc1ccc(CNC(=O)C(=O)N2C[C@H](C(F)F)C3(CC3)C2)cc1C#N |
CC(C)n1ncc(C(=O)N[C@H]2CCC23CN(C(=O)OC(C)(C)C)C3)c1Br |
C=CC[C@H](C)C(=O)NCC(F)=C1CN(C(=O)C(F)(F)C(F)(F)F)C1 |
CCCC[C@@H](CNC(=O)CC1CCC(OC)CC1)NC(=O)CC[S@@](C)=O |
CC(C)COc1ncncc1N[C@]1(c2nnnn2CC2CC2)CCCC[C@H]1C |
C=CC[C@H](C)N=c1[nH]c(=NC[C@H]2C[C@H]3C=C[C@@H]2O3)c2ccccc2[nH]1 |
CC(C)CCCC(=O)NCCOCC(=O)N[C@@H](C)C(F)(F)F |
CCC[C@H]1CCC[C@H]1C(=O)N[C@H](C)CNc1cncc(Cl)n1 |
CCN(CC)C[C@@H](F)C(=O)N[C@H](C)CCN(C)C(=O)C1(c2cncs2)CC1 |
COc1ccc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)C(C)(C)C(C)C)nc1N |
Cc1nscc1C(=O)N1C[C@H](C)[C@H](CNC(=O)c2cc(C3CC3)cnc2Cl)C1 |
C[C@@H](CNC(=O)c1cccc2cnccc12)CNC(=O)[C@@]1(C)C=CCCC1 |
C[C@@H]1CN2CCN1C[C@@H]2C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1cnn(C)c1 |
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