smiles stringlengths 6 131 |
|---|
CSC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2nc(C3CC3)ncc2Cl)C[C@H]1O |
CC(C)[C@H](C(=O)N(C)CCCCNC(=O)[C@@H](C)NC(N)=O)N1CCCC1=O |
CC(C)[C@@H](CO)NC(=O)c1cc(Cl)ncc1NCc1c(I)ccnc1F |
C[C@H]1CN(C(=O)C2CCN(c3ncccn3)CC2)C[C@@H]1n1cc(CNC=O)nn1 |
CC1(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)COc2ccc(C(F)(F)F)cn2)COC1 |
C=C1C[C@@H]1C(=O)N[C@H]1CN(C(=O)CCCc2ccccc2)CCC12CCOCC2 |
CC(C)c1cc(NC(=O)c2cc(N)c(Br)c(F)c2)cc(C(F)(F)F)c1 |
Cc1sccc1CC(=O)N[C@H]1CCCCN(C(=O)Cn2cnc(C(F)(F)F)n2)C1 |
COC(C)(C)CCCCC(=O)N1CC[C@](C)(CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 |
O=C(NC[C@H]1C[C@@H]1CNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)[C@H]1C[C@@H]1C(F)(F)F |
COc1cc(C)c(C(=O)N2CC[C@H]3CN(C(=O)/C=C/C(C)C)C[C@@H]3C2)cc1OC |
C[C@H]1CC[C@@H](CCC(=O)N2C[C@@]3(C)CN(C(=O)C4(C)CCOCC4)C[C@@]3(C)C2)O1 |
C[C@@H]1CN(C(=O)C23CC(CN2C(=O)c2cscn2)C3)CC[C@@H]1CO |
CCOc1cc(C(=O)N2CCN(C(=O)C3CC3)C[C@H]2c2ccccc2)oc(=O)c1 |
C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3F)C[C@@H]21 |
CC(C)C[C@](C)(CNC(=O)C[C@@H](C)P(C)(C)=O)NC(=O)c1cnc2occc2c1 |
[N-]=[N+]=NC[C@H](NC(=O)C=Cc1cc[nH]c1)C(=O)Nc1cccc(CO)c1 |
CN1CC2CC1(CNC(=O)[C@H]1CCCCN1C(=O)CCN1CCCC1=O)C2 |
COC(=O)C(C)(C)N(CC(C)C)C(=O)[C@@]12C[C@@H](n3cc(CS(C)(=O)=O)nn3)[C@@H]1C2 |
CCOC(=O)c1cnc(N2CC[C@@H](O)[C@@H](C(=O)Nc3nc(C)cs3)C2)nc1C |
CC(C)[C@H](CO)C(=O)N[C@H]1COC2(C1)CN(C(=O)C1CCC3(CC1)N=N3)C2 |
C=CC/C=C/CCC(=O)N[C@H](CC(=O)N1CCN(C)C[C@@H](C)C1)[C@@H](C)OC |
CC[C@H](C)C(=O)C(=O)N1CC[C@H](F)C[C@@H]1C(=O)N1CCC[C@@H](CCF)C1 |
O=C(NCCN(C(=O)COc1cc(F)cc(F)c1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] |
CC1(C)CCC[C@@](O)(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2cnnc(O)c2)CC1 |
CO[C@]1(C(=O)N[C@@H]2CC[C@H]3CC[C@H]32)CCN(C(=O)c2cnn(C)n2)C1 |
Cc1ccc(CNC(=O)N[C@]2(CO)CCOC(C)(C)C2)nc1C |
CC(=CC(=O)N1CC[C@@](N=[N+]=[N-])(C(=O)N2CC(O)C2)C1)C(C)C |
Cc1cc(C(=O)N2C[C@H](NC(=O)/C=C/C(C)C)CC23CCC3)c(O)c(C)n1 |
CCCC(=O)NCC(=O)NC1CC([C@H](C)NC(=O)CC(C)(C)O)C1 |
O=C(CSC(F)F)N[C@H]1C[C@@H](NC(=O)c2ncoc2Br)C12CCC2 |
NC(=O)c1ccc(NC(=O)CC2CN(C(=O)Cc3ccccn3)C2)cc1Cl |
C=CC[C@H](CC(=O)NOC1CC1)NC(=O)CC1CC=CC1 |
C[S@@](=O)CCC(=O)N[C@@]12CCC[C@@H](CN(C(=O)C3=COCCC3)C1)C2 |
CCSCC(=O)N[C@H]1C[C@H](CCNC(=O)C(=O)Nc2cccc(C)c2)C1 |
O=C(C=C1CCN(C(=O)c2ccc(Cl)nc2F)CC1)NCCN(CCO)CCO |
O=C(N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3[C@@H]2C(=O)NOC[C@H]1CCOC1)c1cccnn1 |
C[C@@H](NCCC(F)(F)Cl)[C@@H]1COc2ccccc2O1 |
COc1cc(C)c(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)[C@@H]3C[C@H]32)cc1C |
CC(C)NC(=O)CCCC(=O)N1C[C@@H]2C[C@H](C1)CN(C(=O)CC1(C(F)F)CC1)C2 |
CNC(=O)CCC(=O)N[C@H](CO)CCCCNC(=O)C=Cc1csc(C)n1 |
CC1CC(C)(C(=O)NCC[C@@H]2CCN(c3nc(-c4ccccc4)ns3)C2)C1 |
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](CNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)S(C)(=O)=O |
CCCCCCC[C@@H](C)CNS(=O)(=O)c1cnc(N(C)CCF)cc1C |
CN1CC[C@H]2CN(C(=O)C3(N(C(=O)c4cc(Cl)ns4)C4CC4)CCC3)C[C@H]2C1 |
COC1(C(=O)NCCC2CC(NC(=O)C#C[C@@H]3CCCOC3)C2)CCCCCC1 |
Cc1ocnc1CN=c1ccc(Br)c(S(=O)(=O)N2CCC3(CCC3)[C@@H](CO)C2)[nH]1 |
CCOC(=O)CCCC(=O)N1C[C@@H](NC(=O)Cc2cc(F)ccc2C)C[C@@H](C)C1 |
CN(CC(C)(C)N=c1[nH]nc(C(F)(F)F)s1)C(=O)[C@@H]1C[C@H]2CCCCN2C1 |
C#Cc1ccc(C(=O)NCCC[C@H](O)C(=O)N[C@H](C(=O)OC)C2CCC2)cn1 |
CC[C@H](C(=O)NC1(CNC(=O)C2(COC)CC2)CCC(F)(F)CC1)[C@@H](C)O |
CCC[C@@H](C)N(C)CCC(=O)N[C@@H]1CN(C(=O)c2oc(C)cc2C)CC1(C)C |
Cc1cccc2[nH]cc(C(=O)NC[C@@H]3C[C@H]4CC[C@H]3N4C(=O)c3cc(Cl)cs3)c12 |
CCc1ncc(Cl)c(C(=O)N[C@H](Cc2ccnc([N+](=O)[O-])c2)C(=O)O)n1 |
CCOCCOCCCC(=O)N1C[C@@H](C)[C@@H](CN=c2ccnc(C3CCC3)[nH]2)C1 |
COCc1nsc(CNc2[nH]c(=NC[C@@]3(C)C[C@@H]3Br)nc3scnc23)n1 |
Cc1cc(C(=O)N2CC(O)([C@H](F)C(=O)NC3(c4ccsc4)CC3)C2)c(C)nn1 |
CC(F)(F)c1csc(CNC(=O)NCc2cc(Cl)cc(Br)c2)n1 |
Cc1ccc(C=CC(=O)N[C@@H]2C=C[C@H](CNC(=O)[C@]3(C)CCCCC3(F)F)C2)o1 |
CCC[C@H](O)C(=O)N1CC[C@@H](C)[C@H](CNC(=O)CNC(=O)c2ccoc2C)C1 |
CNC(=O)C(C)(C)C(=O)N1CC(O)(CN(C)C(=O)[C@H]2OCC2(C)C)C1 |
C[C@@H](NC(=O)[C@@H]1C[C@@]12CCN(C(=O)Cc1ccc(O)cc1)C2)c1ccc(Cl)cc1 |
O=C(Cc1sccc1Cl)N1CC(C2CN(C(=O)[C@H](O)c3cccnc3)C2)C1 |
C=CCO[C@@H](C)C(=O)NCC1(NC(=O)C=C2CCCC2)CCCC1 |
O=C(C=C1CC1)N[C@H]1CCCN(C(=O)C2([C@H]3CCCCO3)CCOCC2)C1 |
CC(=O)N[C@H](C)C(=O)N[C@H](C)CN1CCN(C(=O)[C@H]2Cc3nnc(C)n3C2)CC1 |
C[C@@H](CCc1cccn1C)NC(=O)C(=O)NCC1CC(C2CCC2)C1 |
O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2(F)CCCC2)C1)[C@H](CO)C(F)(F)F |
CC=C[C@H](O)C(=O)N[C@H]1C[C@H](F)CN(C(=O)[C@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 |
CC(C)[C@H](CNC(=O)CC1(CO)CCC1)NC(=O)c1ccc(C2(C)CC2)cc1 |
O=C(NC1CC(F)C1)[C@H]1C[C@H]2C[C@@H]2N1Cc1ccc(O)c(O)c1O |
O[C@@H]1CCCc2ccc(NCC3CCC(F)CC3)cc21 |
N#Cc1cc(=N[C@@H]2CCN(c3cccc(Br)c3)C2)c2ccccc2[nH]1 |
CCc1n[nH]c(CC)c1CC(=O)NC[C@]1(NC(=O)C2C3CCC2CC3)CCOC1 |
CC[C@@H](CCC(=O)N[C@H](CCOC)COC)NC(=O)COCCN(C)C |
CC1=C(C)C[C@](C)(C(=O)NC[C@@H](O)CCNC(=O)C2(CCF)CCOCC2)CC1 |
CN1C(=O)OC[C@@H]1C(=O)N1CCC[C@](O)(CNC(=O)C2=C(Cl)CCOC2)CC1 |
CCNC(=O)C(=O)N[C@@H](CNC(=O)c1cnc2scc(C)n12)c1ccc(C)cc1 |
COCCCOCC(=O)N1CC[C@@H]2[C@@H](NC(=O)Cc3ccc(OC)cc3)[C@@H]21 |
Cc1ccc(F)c(O)c1C(=O)N(C)CCNC(=O)[C@@H]1Cc2ccccc2S1(=O)=O |
C=C[C@H]1CCN(C(=O)[C@@H]2[C@H](CC)CCCN2C(=O)CC(F)(F)CC)C1 |
C=CC[C@@](C)(O)C(=O)NC[C@@H](CC(=O)NC[C@@H]1CCC(=O)N1)OC |
Cc1sccc1CNC(=O)COC(C)(C)CNC(=O)[C@H]1CCC(=O)N(C)C1 |
CN1C[C@H](C(=O)NC23CC(C(=O)NCCC45CC(CO4)C5)(C2)C3)CCC1=O |
CC(=O)c1c[nH]c(C(=O)N2CCO[C@@H](CNC(=O)C3[C@H](C)[C@H]3C)C2)c1 |
COc1ccc2cc(C(=O)N3C[C@H]4CCC[C@@](CO)(C3)C4(F)F)n(C)c2c1 |
CCn1cc(Cl)cc1C(=O)NCCOCCN(C)C(=O)c1ccc(OC)cc1 |
CCCn1nccc1C(=O)NC[C@H]1CN(C(=O)[C@@H](O)C(F)F)CCC12CCC2 |
COCc1nsc(N2CCN(C(=O)c3ccc(F)c4cccnc34)C[C@H](O)C2)n1 |
CCNC(=O)N1CCC(C(=O)N2CC[C@H](NC(=O)C3(O)COC3)C[C@@H]2C)CC1 |
CC(C)c1conc1C(=O)NCCCCNC(=O)c1cccn1C1CC1 |
COC(=O)[C@@H](OC)C(=O)NCCC[C@@H](CO)NC(=O)CC(C)(C)C(F)F |
CCc1nnsc1C(=O)N1CCO[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 |
Cc1nc(C(=O)N2CCC3(C2)CN(C(=O)C2CCc4ccccc4CC2)C3)co1 |
CC(C)Oc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@@H](O)CC2CC2)C1 |
CN(C)CC=CC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)CO |
CN(C)[C@@H](CN=c1[nH]c(=NCCC[S@](C)=O)c2cccc(F)c2[nH]1)c1ccsc1 |
CCCC[C@H](CC(=O)NC[C@H](O)C(F)F)NC(=O)C1CC2(CC[C@@H]2O)C1 |
CC(C)(C)c1ccc([C@H](C(=O)N[C@@H]2CCOC2)N2CC[S@](=N)(=O)C(C)(C)C2)cc1 |
Cc1cccc(CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)C3(CC3)C2)c1Cl |
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