smiles stringlengths 6 131 |
|---|
C=CC=CCC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)c2[nH]c(=N)sc2CC)C1 |
O=C(c1cccc2c1OCO2)N1C[C@H]2C[C@@]2(C(=O)N=c2cccn[nH]2)C1 |
CCc1ccc(C(=O)NCC2(C(=O)N[C@@H]3CCC(=O)N(C)C3=O)CC2)cn1 |
CCSCc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)[C@H]3C[C@H]23)cc1 |
C[C@H](Cn1cccn1)C(=O)N1C[C@@H]2C(CNC(=O)Cn3cc(Cl)cn3)[C@H]2C1 |
COC1(CCNC(=O)[C@@H](O)C(C)(C)C)CN(C(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)C1 |
CN1CCC[C@H](N(C)S(=O)(=O)c2cccc(N(C)Cc3ccsc3)n2)C1 |
C=CC[C@@H](CC)C(=O)NC1(CNC(=O)c2cc(O)nn2C)CCC(C)(C)CC1 |
CCc1ncc(C(=O)NCc2ccc(C(=O)N[C@H](C)C[C@H]3CCCO3)cc2)o1 |
COCC[C@H]1COCCN1N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2 |
C#CCCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H](CC)C(F)(F)F)CC1 |
CCn1ccc(C(=O)N2C[C@H](N=[N+]=[N-])C[C@@H]2C(=O)NCCN(C)C(C)C)c1C |
COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC(CNC(=O)Cc3ccsc3)C2)C1 |
Cc1cocc1C(=O)NC[C@H]1CC(F)(F)CN1C(=O)[C@@H]1CCCc2c1ncn2C |
Cc1c(C(=O)N[C@H](CC(F)F)C(=O)N[C@H](C)CCO)c[nH]c1C#N |
CC[C@@H](CNC(=O)[C@@H](O)CC1CCOCC1)NC(=O)c1cc2sccc2s1 |
N=C(N)SCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)o1 |
CCc1cnn(CC(=O)N2CC[C@@H](CCNC(=O)c3ccc(C(C)C)nc3)C2)c1 |
Nc1ccnc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(CO)s3)C2)c1 |
COCc1ccc(-c2nc(C(=O)N3CCO[C@H](C(F)(F)F)C3)c(C)s2)s1 |
Cc1ccc(C(=O)NC[C@@]2(C(=O)NC[C@H](O)c3ccccc3)CC23CCC3)s1 |
CN=c1[nH]cc(C(=O)N2CC[C@@H](NC(=O)c3ccn(C(C)(C)C)n3)[C@H](CO)C2)s1 |
CC[C@H](OC)C(=O)NC[C@@H](O)C(=O)Nc1ccc(CCO)cc1 |
COCc1cnc(NC(=O)N2CCC[C@H]2c2c(OC)cc(OC)cc2OC)s1 |
COCC(C)(C)C(=O)N1CC[C@@H]1C(=O)N1CC[C@@H](SC)C1 |
Cc1nc(Cl)nc(N2CC[C@H]3CCN(C(=O)CCCCNC(N)=O)C[C@@H]3C2)c1Cl |
C=CCCC(=O)N[C@H]1C[C@]2(CCCCN2C(=O)[C@H]2CCC[C@@H]2S(C)(=O)=O)C1 |
Cc1ccn(CCC(=O)N[C@@]2(C)CCCN(C(=O)[C@@H]3CNC(=O)N3C)C2)n1 |
CCCC[C@@H](CC)C(=O)N1C[C@H](C(=O)NCCc2nnc(O)o2)CC(C)(C)C1 |
O=C(N[C@@]1(C2CC2)CCN(C(=O)[C@H](O)C(F)(F)F)C1)c1ccnc(C(F)F)c1 |
CC(C)CCCCCCNS(=O)(=O)c1ccccc1[C@H]1CC1(F)F |
COC[C@@H]1CN(C(=O)c2ccc(O)nc2)CCN1C(=O)C[C@H]1CCC(=O)NC1 |
C#CC[C@](C)(NC(=O)[C@@H](C)C(C)(C)C)C(=O)N(C)Cc1cc(C)no1 |
CC(C)OCCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Sc2ccccn2)C1 |
NC(=O)c1ccc(C(=O)NC2CC(CNC(=O)C=Cc3ccccc3)C2)o1 |
C[C@@H](NC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC12CC2)c1ccns1 |
CCCN(CCNC(=O)[C@@H](F)C1CCOCC1)C(=O)C=Cc1nc(C)c(C)[nH]1 |
COC(=O)[C@H](C)CC(=O)N1CC(C2CN(C(=O)c3sc4cncn4c3C)C2)C1 |
CC(C)C[C@H](C)CNC(=O)C1(CNC(=O)Cc2cnns2)CC2(CC2)C1 |
CC[C@@H](C)Cc1nc(-c2ccnc(C(C)(F)F)c2)n(C2CCS(=O)(=O)CC2)n1 |
Cn1nnc(C(=O)N2CC[C@H](NC(=O)COC3CCCC3)[C@H](CO)CC2)n1 |
CCCCCCN(C)CC(=O)N(C)CCCCNC(=O)C1(c2n[nH]cc2C)CC1 |
COC(=O)C(C)(C)CCC(=O)N1CCC[C@]2(CCCN2C(=O)C(C)=CC2CC2)C1 |
CC[C@@H](CSC)N(C)C(=O)[C@]12CO[C@H](C1)[C@H](NC(=O)C[C@@H]1C[C@H]3C=C[C@H]1C3)C2 |
Cn1cc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3COCC(C)(C)O3)CC2)c(Br)n1 |
CC(C)[C@@](F)(CNC(=O)c1ncccc1O)C(=O)NCC1=NOCC1 |
Cc1cccnc1C=CC(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 |
O=C(c1cc2ccccn2n1)N1CCO[C@H](C(=O)N2C[C@H]3CSC[C@H]3C2)CC1 |
CC1(CCN2CC(S(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 |
C=CC[C@H](CNC(=O)c1cccc2c[nH]nc12)NC(=O)C1(C2CCC2)CC1 |
C=C[C@H]1CCN1C(=O)[C@H]1CC=C[C@H](NC(=O)C(=O)C(C)C)C1 |
O=C(c1ccc(Cl)c(Cl)c1O)N1C[C@H]2[C@H](CNC(=O)[C@]3(F)CCOC3)[C@H]2C1 |
CCO[C@@H](C)C(=O)NCC1(F)CCN(C(=O)CCC2CCN(C)CC2)CC1 |
CC(C)[C@@]1(C(=O)NC2CC3(CC[C@@H](CNC(=O)c4ccc[nH]4)OC3)C2)CCCO1 |
O=C1[C@H]2CCCC[C@H]2CN1CN1CCO[C@]2(CCc3ccccc32)C1 |
Cc1cc(C)c(NC(=O)[C@H]2C[C@H]3OCC[C@H]3N(C(=O)CC#N)C2)cn1 |
Cc1cc(C(=O)NC[C@]2(F)C[C@H](NC(=O)c3csc(-c4ccc(C)o4)n3)C2)on1 |
COC[C@H](C)NC(=O)[C@@H]1CCC[C@]12CCN(Cc1cccc(OC(C)=O)c1)C2 |
CC[C@H](C)[C@H](NC(=O)c1cncc(CO)c1)C(=O)N1CC(C#N)(COC)C1 |
CC[C@H](C)[C@@H](O)CC(=O)NC[C@]1(C(=O)NCCCSC)CC12CCC2 |
CCCS(=O)(=O)N[C@@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(Cl)cc2)C1 |
CCCc1n[nH]c(=N[C@H]2C[C@H](NC(=O)c3ccnc(OC(C)C)c3)C2)s1 |
C[C@H](NC[C@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1O |
CCCSCC(=O)N1C[C@@H](NC(=O)Cc2cccc3c2OC(C)(C)C3)C[C@@H](F)C1 |
Cn1ccnc(N2CCC[C@@H](NC(=O)NC[C@H](F)c3ccc(Br)cc3Cl)C2)c1=O |
CS[C@H](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](N(C)C)CC2)C[C@@H]1n1cccn1 |
CC[C@H](CNC(=O)Cc1ccc(C)o1)NC(=O)[C@H]1CC[C@H](CC)CC1 |
CCOC(=O)[C@@H]1NCC[C@H]1NCc1nc(C(C)(C)C)n[nH]1 |
CO[C@H](C(C)C)[C@@H](O)C(=O)NC[C@H]1C[C@@H](C(=O)N2CCc3nc(C)[nH]c3C2)CO1 |
Cc1ccnc(C)c1C(=O)NCC1(CNC(=O)[C@@H]2C[C@]2(C)C(F)F)CC1 |
C=CC(C)(C)CC(=O)N[C@H]1C[C@@H]1CNC(=O)C1(COC(C)C)CC1 |
CCCC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cnn(C(C)C)c3)CCO2)C1 |
CCOCCOCCC(=O)N(C)CC1(NC(=O)C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 |
CC(=O)OCCCC(=O)N1CC[C@@H](C(=O)NCCc2cc(C)n(C)n2)[C@H]1C |
CC[C@H](C(=O)NC[C@@]1(CNC(=O)COC2CCOCC2)CC1(F)F)C(=O)OC |
C=C(C)[C@H](CC(=O)N[C@H](CC)CNC(=O)c1ccc(C2CC2)cc1OC)OCC |
CN=c1[nH]cc(C(=O)NCc2cc[nH]c2C(=O)NOCCCN(C)C)o1 |
CN(C(=O)C1=CCC1)[C@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C[C@H]1F |
O=C(c1cn2cccnc2n1)N1CCC[C@H](CNCc2cccc(O)c2F)C1 |
COc1cccc(NC(=O)/C=C/[C@H]2CCCN2C(=O)c2cc(O)ccc2F)c1 |
Cc1nc([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)C2)no1 |
C[C@@H]1CN(C(=O)c2cccc3ncccc23)[C@H](C)CN1C(=O)c1cccc(N)n1 |
C[C@@H](NC(=NC[C@@H]1CCCO1)NCC(C)(C)C#N)C1CC1 |
CCOC[C@H](C)CNC(=O)[C@@H](C)[C@H]1CCCN(C(=O)C2(F)CCOCC2)C1 |
CC[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 |
CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CS(=O)(=O)CCC1 |
NC(=O)C[C@@H](O)C(=O)NC12CCC(NC(=O)Cn3cccc3)(CC1)C2 |
CSc1nc(C)cc(N(C(=O)c2ccc(F)nc2F)[C@@H]2CCNC2)n1 |
CCOC(=O)c1c(NCCCN(C)C(=O)[C@@H](F)CC2CCCC2)nnc(C)c1C |
C[C@@H]1[C@H](NC(=O)Cc2nccs2)CCCN1C(=O)CCN1[C@H](C)CCC[C@H]1C |
CCc1ccc(C(=O)NC[C@H](O)CC(=O)N2CCN3C[C@H](C)C[C@H]3C2)nc1 |
CC[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@H]1c1noc(C)n1 |
CCOC(=O)[C@H](OC)C(=O)N1CC(C[C@H](C)NC(=O)C2=C(Cl)CCOC2)C1 |
CN(C[C@H]1[C@@H]2CN(C(=O)CSC(F)F)C[C@H]12)C(=O)C=Cc1cnccn1 |
C[C@H]1CCC[C@@H](C(=O)NCc2ccccc2CNC(=O)C(F)=CC2CC2)C1 |
COC[C@]1(C(=O)N2CC[C@@H]3OCCN(C(=O)Cc4csc(C)c4)[C@@H]3C2)CCCO1 |
CC[C@H](C)CCCC(=O)N1CC[C@@](CF)(C(=O)Nc2ccc3ncnn3c2)C1 |
COCC[C@H](CNC(=O)c1cc2sccc2[nH]1)NC(=O)CCCc1ccccc1 |
C[C@H](O)CCNC(=O)CCCC(C)(C)NC(=O)C[C@H]1CCOC1(C)C |
CCCCOc1ccc(C)cc1-c1cnc2[nH]c(C(=O)NC(CO)CO)cc2c1 |
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