smiles
stringlengths 2
148
|
|---|
C[C@H](NC(=O)c1ccnc(OC2CCC2)c1)[C@@H](C)[NH+]1CCOCC1 |
CC[C@H](CO)[NH+]1CCN(C[C@H](O)COCc2ccccc2F)CC1 |
O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1OCc1ccc(Cl)cc1 |
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NC3CCCC3)cc2)CC1 |
CCCNC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)NCc1ccc(C)cc1 |
C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C)COC |
CCOC(=O)c1ccccc1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 |
CCC(CC)(CCO)C[NH2+]Cc1cnn(-c2ccccc2)n1 |
COc1ccc(C)cc1NC(=O)CSc1nc2cc(C)ccc2cc1C#N |
N#Cc1cn[nH]c1NC(=O)C1CCCCC1 |
CCN1CCN(CCNC(=O)CSc2ccccc2F)CC1 |
CCC[NH2+]CC[NH+](C)C[C@H]1COc2ccccc21 |
COc1ccc([C@H](NC(=O)c2cccc(OC)c2OC)c2ccccc2)cc1 |
Cc1cc(CNC(=O)C[C@]2(Cc3ccccc3)C(=O)N(C)c3ccccc32)ccn1 |
O=C(C[NH+]1CCOC[C@@H]1C1CC1)Nc1ccc(Br)cc1F |
C[C@@](O)(CNS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 |
O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 |
CC(C)NC(=O)CN(C)Cc1cccc(NC(=O)OC(C)(C)C)c1 |
CCN(CC(C)(C)O)C(=O)c1cnc2ccc(C)cn12 |
CCCCCOc1c(Cl)cc(/C([O-])=N/c2nnc(SC/C=C/c3ccccc3)s2)cc1Cl |
Cc1cc([C@H](C)NC(=O)N(Cc2ccc[nH+]c2)C[C@@H]2CCCO2)c(C)s1 |
CC(C)[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(N)=O)C1 |
C[C@@H](c1ccc(F)c(F)c1)N1CCc2nn(C)c(=O)cc2C1 |
OCCOc1ccccc1C[NH+]1CCc2nc[nH]c2[C@H]1c1ccncc1 |
CC[C@H]1COCCN1Cc1ccccc1N1C[C@H](C)O[C@H](C)C1 |
O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCC[C@H]2CCC[C@@H]21 |
CN(C)C(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)ccc1F |
O=C(Nc1cccc2ccccc12)c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl |
O=C(CS(=O)(=O)c1nc2ccccc2[nH]1)NC[C@@H]1CCCO1 |
Cn1ccnc1CN1CCN(C[C@H](O)COCc2ccccc2)CC1 |
C[NH+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 |
CCCCCNC(=O)[C@@H](C)S(=O)(=O)c1nncn1-c1ccccc1C |
COCc1cccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1 |
CCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OC |
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cnn(C)c1-n1cccc1 |
C[C@H]1CCc2c(sc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)c2C#N)C1 |
CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cccc(Cl)c1Cl |
C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](CO)C1)c1ccc(F)cc1 |
CC[C@@H](C[NH2+][C@@H](C)c1cnc(C)s1)Oc1ccccc1F |
O=C(NCc1cc2ccccc2o1)c1c[nH]c2cccc(F)c12 |
C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C[C@H]1O |
CC[C@H](NC(=O)[C@@H](C)Sc1ccccn1)c1ncc(-c2ccccc2)[nH]1 |
Nc1cccc(-n2ccnn2)c1 |
Cc1cnc([C@@H](C)NC(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)s1 |
C#CC[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C1CC1 |
Cc1nn(C)c(N(C)C)c1CN[C@@H]1CCN2CCCC[C@H]12 |
Cc1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n(C)n1 |
CN1CC[C@@H](C[NH+](C)C[C@@H]2CCC(C)(C)[C@@H]2[NH3+])C1 |
COC(=O)c1cc(Nc2ccc(C)cc2Cl)c2cc(F)ccc2n1 |
C=CCn1c(SCc2ncccc2C)nnc1-c1ccc(OC)cc1 |
CCc1nn(C)cc1NC(=O)c1csc(-c2ccc(OC)cc2)n1 |
COc1cccc([C@H](CNC(=O)C(C)(C)C)N2CCOCC2)c1 |
O[C@@H](C[C@H]1COCCN1Cc1cccc(-c2ccncc2)c1)c1ccco1 |
Brc1ccsc1CNCc1cc[nH]c1 |
CC[C@H](C)NC(=O)CCNC(=O)C1(c2ccc(C)c(OC)c2)CC1 |
C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)[nH+]c1 |
Cn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2 |
Clc1ccc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)cn1 |
COc1ccc(NC(=O)CNC(=O)c2cc3ccccc3o2)cc1OC |
O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)C(c1ccccc1)c1ccccc1 |
CCCC(O)(CCC)CNC(=O)Cc1c[nH]c2ccc(F)cc12 |
O=C(COC(=O)c1cccc(Br)c1)NCc1ccc(Cl)cc1 |
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1 |
CCCCn1c([S@@](=O)Cc2ccc(C(F)(F)F)cc2)n[nH]c1=O |
CCC[C@H](CCO)CNC(=O)Cc1csc(NC(=O)C(C)C)n1 |
CCc1nn(C)cc1NC(=O)N[C@H]1CCN(c2ccccc2)C1=O |
C/C(=C/C(=O)NCc1ncn[nH]1)c1ccccc1OC(F)F |
COc1ccc(-n2nc(C(=O)NC3CCCC3)cc2-c2cccnc2)cc1 |
COC[C@H](O)COc1ccc(C)nc1C[NH2+]C(C)C |
CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 |
Cc1cccc(-n2ccnc2SCC2(CO)COC2)c1C |
CNc1nc(C(C)(C)OC)[nH+]c(C)c1C |
CCCc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)[nH]n1 |
Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCCN(C(=O)c4cnc(C)cn4)C3)on2)cc1 |
Cc1nc(CCNC(=O)c2cccc(-c3ccoc3)c2)cs1 |
CCOCCN1CC[NH+](CCOc2ccc3c(c2)CCC(=O)N3)CC1 |
COC(=O)c1ccccc1CN1CCN(CCOC(C)C)CC1 |
CCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1cccs1 |
CS(=O)(=O)c1ccc(NC(=O)NCCCCn2ccnc2)cc1 |
COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3CCCCOc3cc(C)cc(C)c3)CC2=O)c1 |
CCCSc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 |
CN1CCN(CCn2cnc3c(F)cccc3c2=O)CC1 |
O=C(NCCNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1Cl |
CC(C)(C)C[C@@H](CO)NC(=O)Cc1ccc(F)cc1Cl |
CN(CCNC(=O)Nc1cccc(Cn2cccn2)c1)c1ccccc1 |
CCC[NH2+]Cc1cc(F)ccc1N(C)CCOCC1CC1 |
Nc1ccc(C[NH+]2CCCC[C@@H]2CCO)c2[nH+]cccc12 |
Cc1nc(C)c([C@@H](C)[NH+](C)Cc2c(C)nc3sccn23)s1 |
Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 |
COCCn1c(C)cc(CN2CCN(C)C(=O)C2(C)C)c1C |
COc1ccccc1N(CCO)CCO |
C[C@@](Nc1ccc(Cl)c(Br)c1)(C(N)=O)c1cnccn1 |
O=C(Nc1ccon1)c1cc2sccc2n1C1CCCC1 |
CCN(CC(C)(C)O)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)O |
Cc1cc(S(=O)(=O)[N-]c2cnc3[nH]nc(C)c3c2)c(C)s1 |
C[NH2+][C@H](C=C(C)C)[C@@H]1C[NH+](C)CCO1 |
CC[C@@H]1CCCCN1c1nc([O-])c2c(n1)NC(=O)[C@H](C#N)[C@@H]2c1ccc(OC)c(OC)c1OC |
COCc1ccc(C[NH3+])o1 |
CCNc1cccc(CN2CCN(C)C(=O)C2=O)n1 |
Cc1ccc(CNC(=O)N(C)Cc2ccccn2)c(OCC2CC2)c1 |