smiles stringlengths 6 131 |
|---|
C[C@H](CCN(C)C(=O)C[C@H]1CC1(C)C)NC(=O)CCN1CCCC1 |
C#CCCCC(=O)N1CC(F)(F)C[C@@]1(C)CNC(=O)c1cccc(C(=O)NC)n1 |
Cc1ccc(=O)n(CC(=O)N[C@H]2C[C@H]3CN(C(=O)C4CCCC4)CCN3C2=O)c1 |
C[C@@]1(CNC(=O)C2(NC(=O)C3C[C@H]4CC[C@H](C3)C4)CSC2)CCC[C@H]1O |
CCc1nc(Cl)[nH]c(=N[C@H]2C[C@@H](NC(=O)c3ccc(C4CC4)nc3O)C2)c1Cl |
C[C@@H]1COCC[C@H]1NC(=O)[C@H]1CC(C)(C)CN1C(=O)[C@@H]1CC1(F)F |
CCC[C@](C)(CC)C(=O)N1C[C@H]2CC(NC(=O)c3cc4cnn(C)c4s3)C[C@@H]2C1 |
Cc1ccc(O)cc1C(=O)N1CC[C@@H]1C(=O)NCC1(CO)COC1 |
C[C@@H]1COC[C@@H](CC(=O)N(C)C2(C(=O)NCCCCF)CC2)O1 |
CN(C)[C@](C)(C(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)C1)c1ccccc1 |
C[C@@H](CCNC(=O)c1cccc(-c2ncon2)c1)NC(=O)[C@@]12CC[C@@H](F)[C@@H]1CC2 |
CCc1conc1CC(=O)NC[C@H](O)C(=O)NC[C@H]1CC(F)(F)CO1 |
Cc1cc(C(=O)N[C@@H]2[C@@H](C)CCN(C(=O)CNC(=O)c3ccccn3)[C@H]2C)c[nH]1 |
CN1CC[C@](C)(C(=O)NC[C@](C)(F)CNC(=O)[C@@H]2CCC3(CCCC3)C2)C1=O |
COCc1cc(CNc2cc(Br)ccc2S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)no1 |
CC[C@@](C)(CO)C(=O)N[C@@H](CC(=O)NCc1ccc(F)cc1F)C(F)(F)F |
COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc(NC(=O)OC(C)(C)C)cs1 |
COCCC(=O)N[C@H]1CCO[C@H](C(=O)N2CC(O)(CO)C2)C1 |
O=C(NC[C@H]1C[C@@H](C(=O)N[C@@H](CO)C2CCCC2)C1)c1sccc1F |
CC(C)n1cc(C(=O)NCC2(C(N)=O)CN(C(=O)[C@H]3CCCO3)C2)cn1 |
COc1c(C)csc1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CNC(=O)C1 |
C=CCCC[C@H](NC(=O)c1ccnc(O)c1F)C(=O)Nc1ccc(OC)c(F)c1 |
CC(C)CCN=C(NCCC1CCN(C)CC1)NCc1ncc(C(C)(C)C)o1 |
CCc1c[nH]nc1CNC(=O)C12CCC(NC(=O)c3ccn(CC)c3C)(CC1)C2 |
C[C@@H]1CN(C)C[C@@H](C(=O)N[C@@H]2CCN(c3nc4cccc(F)c4o3)CC2(C)C)O1 |
CC(C)C(=O)N1CC(F)(CN=C(NC2CC2)N[C@H]2CCC23CCCCC3)C1 |
O=C(NC[C@@H](NC(=O)c1cc(F)cc(Cl)c1)C1CC1)c1ccc2nc(S)oc2c1 |
COC1(C(=O)N[C@H]2C[C@@H](CCNC(=O)CSc3n[nH]c(O)n3)C2)CCOCC1 |
CCOc1n[nH]cc1C(=O)NC[C@@H]1C[C@@H](NC(=O)C2CCCCC2)C1(C)C |
O=C(Nc1cccc2c1CCN(CC(F)(F)F)C2)[C@@H]1COC[C@]2(CCNC2)O1 |
CCCc1cc(C(=O)N2C[C@H]3C[C@]3(CNC(=O)[C@@H]3CC[C@H]4CC[C@H]3O4)C2)n(C)n1 |
C=CC[C@@]1(C(=O)NC2CC3(C2)CN(C(=O)[C@H](C)c2ccsc2)C3)CCOC1 |
CCN(CCNC(=O)c1ccncc1C1CC1)C(=O)C[C@H](O)CCSC |
O=C(CCc1ccccn1)NC[C@@H]1C[C@H]1NC(=O)c1cccnc1SC(F)F |
Cc1c(F)cncc1C(=O)N1CC=CC[C@H]1C(=O)N1CC(OCCO)C1 |
Cc1cc(CCC(=O)N2CCCC[C@@H]2CCC(=O)N2CC[C@]3(CCCO3)C2)n[nH]1 |
C[C@@H](CF)NC(=O)[C@]1(O)CCN(C(=O)[C@H]2CCc3ccccc3C2)C1 |
CCc1cc(CNC(=O)/C=C/[C@@H]2CCCN2C(=O)c2occ3c2CCC3)on1 |
Cc1ncc(C(=O)N2[C@H](CNC(=O)[C@H]3CCCS3)C[C@@H]3CCC[C@@H]32)o1 |
CCOC(=O)CCCC(=O)N1C[C@H](C)[C@@](C)(C(=O)NCCN2C(=O)CNC2=O)C1 |
COc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2NC(=O)c2sccc2OC)c(F)cn1 |
CN1CCN(C(=O)C2=CS(=O)(=O)CCC2)[C@@H](CNC(=O)c2c[nH]nc2F)C1 |
O=C(N[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1C(F)F)c1cccnn1 |
Cc1c(N)cc(O)cc1C(=O)N1CCC(C)(CNC(=O)[C@H]2SCC[C@@H]2C)CC1 |
CNC(=O)C[C@H]1CN(C(=O)C[C@H](C)c2ccco2)CCN1C(=O)[C@H]1C[C@@H](SC)C1 |
CO[C@H](CC1CCCCC1)C(=O)N[C@H]1[C@@H]2CN(C(=O)c3c[nH]c(=N)s3)C[C@@H]21 |
Cc1nn(CC(=O)N2C[C@@H](C(=O)NC[C@H]3COC(C)(C)C3)C3(CC3)C2)c(=O)o1 |
N#CCCCCCC(=O)N1CCC[C@]2(NC(=O)c3c[nH]nc3C3CC3)C[C@H]2C1 |
COC[C@]1(C(=O)NCC[C@@H](C)N(C)C(=O)c2cc(C)cc(OC)c2C)CCCO1 |
O=[N+]([O-])C1=CC=C(F)C=C1CSCC1=CC(O)=CC=C1 |
CCc1cc(C(=O)N[C@@H]2CCC[C@H](CC(=O)NC[C@H]3C[C@@H]3[N+](=O)[O-])C2)ns1 |
C[C@@H](CNC(=O)[C@@H]1CCC(=O)c2cccn21)N(C)C(=O)c1cncn(C)c1=O |
CC#CCCC(=O)N(C)[C@@H](CC)CC(=O)NC[C@@H]1COCCO1 |
CCc1ncsc1C(=O)NCC[C@H](C)CCNC(=O)[C@@]1(CC(C)C)CCNC1=O |
CC(C)[C@@H](C(=O)N(CCO)CCCNC(=O)[C@@H]1CC12CCC2)n1ccnc1 |
Cc1nn(C2CC2)cc1NC(=O)N1CCC[C@H]1c1cc(F)cc(F)c1F |
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1[C@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cccnc1O |
CC1=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)c4ccnc(-n5ccnc5)c4)[C@H]3C2)CCC1 |
CC[C@H](C1CC1)N(C)C(=O)C1CC2(CCN(C(=O)[C@@H]3SCC=C3C)C2)C1 |
COC(=O)c1cccc(C(=O)NC[C@H](CCC(=O)O)OC)c1C |
CCN(CC)C[C@@H](F)C(=O)NC[C@@H](C)NC(=O)c1csc(C(F)(F)F)c1 |
O=C(Nc1ccc2c(c1)CCCS2)N1CCC([C@H](O)C(F)F)CC1 |
O=C(COC[C@H]1CCOC1)N[C@@H]1CCN(Cc2cn(CCCCCCO)nn2)C1 |
CC[C@H](C)[C@H](O)[C@H](C)C(=O)N1CC[C@H](C(C)(C)C(=O)N2CC(CC(C)(C)C)C2)C1 |
O=C([C@@H]1CCCS1(=O)=O)N1CCCN(C(=O)C2CC3(CCC3)C2)[C@H](CO)C1 |
CC(C)C(CNC(=O)NCc1cc(F)c(F)c(F)c1)C(C)C |
CCO[C@H](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)C(C)(C)c1ccc(Cl)s1)C(C)C |
CCC[C@@H]1CN(C(=O)Cc2ccccc2COC)CCN1C(=O)C1=CCCS1 |
Cc1cccc(S(=O)(=O)N2CCSC[C@H]2C(=O)NCc2cc(Cl)ccc2Cl)c1 |
COCC(COC)C(=O)NC[C@@H]1CN(C(=O)c2cnn3c2C[C@H](C)CC3)C[C@H]1O |
C[C@H](NC(=O)C=Cc1ccsc1)[C@H]1CN(C(=O)[C@@H](F)CC(C)(C)C)CCO1 |
CCN(CCC(=O)N[C@@H]1CCc2cccnc21)C(=O)Cn1cnc(C#N)n1 |
COc1cc(C)sc1C(=O)N[C@H]1CCCCN(C(=O)c2cnccn2)CC1 |
C[C@H](C(=O)N1CC=C(C(=O)NC[C@H]2CCOC[C@H]2C)C1)C1CCCCC1 |
Cc1cc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)c2ccn(C(C)(C)C)n2)c(C)n1C |
COC(=O)[C@@H](Cc1cc(Br)sc1Br)NC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br |
CC[C@H](C(=O)N1CCC(N(CC)C(=O)c2cc(Cl)c(OC)cc2Cl)CC1)C(C)C |
CC(=O)NC1(C(=O)N2C[C@]3(C)CN(C(=O)C4(C(C)(F)F)CC4)C[C@]3(C)C2)CCC1 |
CCN(C[C@H](C)O)S(=O)(=O)c1cc(C)cnc1NC[C@@H](OC)C1CCCC1 |
C=C(C)CC(=O)N[C@@H]1CN(C(=O)c2cc(OCC(F)F)ccn2)C(C)(C)C1 |
CC[C@@H](C)CCC(=O)NC[C@H](C(F)F)N1CCN(C(=O)CCSCC(N)=O)CC1 |
CCSCC(=O)N1C[C@@H](NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)C2(CC2)C1 |
CC[C@@H](O)C(=O)N(CC(C)C)C1CCN(C(=O)c2ccc3c(c2)CNC3=O)CC1 |
Cc1nscc1CN(C)C(=O)C1(NC(=O)[C@@H]2COCCN2C)CCC1 |
Cc1ccc2nc(C(=O)N(CCNC(=O)[C@H](F)[C@H](C)C(F)(F)F)C3CC3)cn2c1 |
O=C(NCCCCCNC(=O)[C@H](F)C1CC1)c1cc2n(n1)C[C@H](F)C2 |
CN(C)CCC(=O)N[C@H]1CN(C(=O)c2ccnc(F)c2F)C[C@@H]1F |
CC[C@H]1CCCN1C(=O)C(=O)N[C@@](C)(CNC(=O)Cc1cnccc1C)C1CC1 |
CCc1c(C(=O)N[C@H]2C[C@@H](CCC(=O)N[C@H]3CC[C@H](O)CC3)C2)cnn1C |
CCc1nc(C(=O)N2CC[C@@]3(CC(C(=O)N(CC)CC(F)(F)F)=NO3)C2)co1 |
CO[C@@H](CNc1ccc(S(=O)(=O)N2CCOC3(CC3)C2)cn1)C1CC1 |
C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]21 |
CCOc1cncc(C(=O)N2CC[C@H](NC(=O)c3cc4n(c3)CCCC4)[C@H]2C)c1 |
CC[C@H](C)n1ccc(=NC(=O)CC2(N(C)C(=O)[C@H]3CC[C@@H](C4CC4)C3)CC2)[nH]1 |
CC(C)(CCNC(=O)c1ccc(N2CCCC2)cc1)NC(=O)C12CC(F)(C1)C2 |
C[C@](O)(CNC(=O)c1cc2n(c1)CCOC2)[C@H]1CCCN(C(=O)c2cnn[nH]2)C1 |
CC1(C)C(C(=O)N2C[C@H](NC(=O)Cn3cncn3)[C@H]3C[C@@H]32)C1(C)C |
Cc1cnc(NC2(CCNC(=O)C=C(C3CC3)C3CC3)CCC2)nc1S(C)(=O)=O |
Cc1cc(C(=O)NC2(C/C=C/C(=O)NC[C@H]3C[C@]34CCOC4)CCC2)c(C)n1C |
CO[C@@H](CN=c1cc(C)c(S(=O)(=O)N2CCCOCC2)c[nH]1)c1ccccc1F |
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