SMILES
stringlengths 5
260
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C[C@H]1C[C@@H]1C(=O)NCc2ccc3c(c2)OCO3 |
C[C@@H]1C[C@@H]1C(=O)NCc2ccc3c(c2)OCO3 |
Cc1ccc(cc1F)NC(=O)COC(=O)C |
Cc1c2ccccc2oc1C(=O)OCC(=O)NC |
Cc1ccsc1C(=O)OCC(=O)NC(C)C |
Cc1ccsc1C(=O)O[C@H]2CCOC2=O |
Cc1ccsc1C(=O)O[C@@H]2CCOC2=O |
CC(=O)Nc1ccc(cc1)S(=O)(=O)C(F)F |
CC(C)CNC(=O)COC(=O)c1cccs1 |
CNC(=O)COC(=O)/C=C/c1cccc(c1)F |
CC(C)NC(=O)COC(=O)c1cccc(c1)F |
CCCNC(=O)COc1c2ccccc2ncn1 |
CCNC(=O)COc1c2ccccc2ncn1 |
CNC(=O)COC(=O)c1ccc(cc1Cl)F |
CCNC(=O)COC(=O)c1c(ccs1)C |
CCOCCC[NH2+]C[C@@H](c1ccccc1)O |
CCCNC(=O)COC(=O)/C=C/c1ccco1 |
CCc1nnc(s1)NC(=O)c2cccn2C |
Cc1ccc(c(c1)C)NNC(=S)NC |
Cc1ccccc1NC(=O)c2ccc(=O)n(n2)C |
CCCC[NH+](C)Cn1c(=S)n(cn1)C |
CC(C)NC(=O)COC(=O)/C=C/c1ccco1 |
c1cc(ccc1CCNC(=O)C[NH2+]C2CC2)F |
COc1ccc(cc1)CCNC(=O)C[NH2+]C2CC2 |
c1ccc2c(c1)CCCN2C(=O)C[NH2+]C3CC3 |
Cc1cc(c(o1)C)C(=O)OCC(=O)NC(C)C |
C[C@@H](CNc1c2ccsc2ncn1)O |
C[C@H](CNc1c2ccsc2ncn1)O |
c1cc(c(c(c1)Cl)CC(=O)OCC(=O)N)F |
CCCC(=O)OCC(=O)N1CCc2c1cccc2 |
C[NH+](C)CCNC(=O)c1cc(cc(c1)F)F |
CC(C)NC(=O)COC(=O)c1ccc(cc1)O |
c1cnn(c1)C[C@@H](c2ccc(cc2)N(=O)=O)O |
c1cnn(c1)C[C@H](c2ccc(cc2)N(=O)=O)O |
Cc1ccc(cc1)CNC(=O)COC(=O)C2CC2 |
CCCC(=O)OCC(=O)NCc1ccc(cc1)C |
CC[C@@H](CO)[NH2+]C[C@@H](c1ccccc1)O |
CC[C@H](CO)[NH2+]C[C@@H](c1ccccc1)O |
CC[C@@H](CO)[NH2+]C[C@H](c1ccccc1)O |
CC[C@H](CO)[NH2+]C[C@H](c1ccccc1)O |
Cc1cc(cc(c1)C(=O)OCC(=O)NC(C)C)C |
CCCNC(=O)COC(=O)c1c(ccs1)C |
CC(C)c1ccc(cc1)C(=O)OCC(=O)NC |
CNC(=O)COC(=O)c1c(cccc1Cl)F |
COCCC[NH2+]C[C@@H](c1ccccc1)O |
CCCNC(=O)COC(=O)c1cc(oc1C)C |
CC(C)NC(=O)COc1c2ccccc2ncn1 |
Cc1ccc(cc1)NC(=O)COC(=O)COC |
CCCNC(=O)COC(=O)c1cc(ccc1C)C |
CNC(=O)COC(=O)c1ccc2ccccc2n1 |
Cc1cnc(cn1)C(=O)NCc2ccc(cc2)F |
c1cc(oc1)C(=O)Nc2nn3cnnc3s2 |
c1csc2c1c(ncn2)N3CCOCC3 |
C[C@@H](CNC(=S)Nc1ccccc1OC)O |
C[C@H](CNC(=S)Nc1ccccc1OC)O |
c1ccn2c(c1)nnc2Sc3ncccn3 |
C[NH+](C)CCCNC(=O)c1ccc2c(c1)[nH]cn2 |
COC(=O)CCNC(=O)C1(CC1)c2ccccc2 |
C[C@@H](C(=O)Nc1ccc(cc1)C(=O)C)[NH+](C)C |
C[C@H](C(=O)Nc1ccc(cc1)C(=O)C)[NH+](C)C |
c1cc([nH]c1)C(=O)COC(=O)c2ccc(cc2)O |
CC(C)(C)NC(=O)NC(=O)C[NH+]1CCCCC1 |
Cc1ccc(n1C)CNC(=O)c2ccccn2 |
c1cc2c(cc1C(=O)N)NC(=O)CS2 |
c1cc(ccc1SCC(=O)NC(=O)N)Cl |
c1cnc2nc(cn2c1)C[NH+]3CCCC3 |
Cc1csc(n1)NC(=O)c2ccc(=O)[nH]c2 |
CC(=O)Nc1nnc(s1)SCC[NH+](C)C |
c1cc(c(cc1Cl)C(=O)OCC(=O)N)Cl |
C[NH+](CCC(=O)N)Cc1ccc(cc1)F |
c1ccc(cc1)SCCC[NH2+]CCC(=O)N |
CC(=O)c1cccc(c1)NC(=O)COC(=O)C |
COC(=O)c1ccc(cc1)OCC(=O)NC2CC2 |
Cc1ccc(cc1C)OCC(=O)Nn2cnnc2 |
Cc1ccccc1CSCC(=O)NC(=O)N |
C[C@@H](C(=O)N)OC(=O)c1c(cccc1Cl)F |
C[C@H](C(=O)N)OC(=O)c1c(cccc1Cl)F |
Cc1ccsc1C(=O)O[C@@H](C)C(=O)N |
Cc1ccsc1C(=O)O[C@H](C)C(=O)N |
Cc1ccc(s1)C(=O)OCC(=O)NC(C)C |
CCNC(=O)COC(=O)c1ccc(s1)C |
Cc1ccc(s1)C(=O)O[C@@H](C)C(=O)N |
Cc1ccc(s1)C(=O)O[C@H](C)C(=O)N |
c1ccc(c(c1)C(=O)OCC(=O)N)C(F)(F)F |
CCNC(=O)COC(=O)c1cccc(c1)Cl |
C[C@@H](C(=O)N)OC(=O)c1cccc(c1)Cl |
C[C@H](C(=O)N)OC(=O)c1cccc(c1)Cl |
c1cc(cc(c1)C(F)(F)F)C(=O)OCC(=O)N |
C[C@@H](C(=O)N)OC(=O)c1ccc(cc1)C(C)C |
C[C@H](C(=O)N)OC(=O)c1ccc(cc1)C(C)C |
CC(C)c1ccc(cc1)C(=O)OCC(=O)N |
Cc1ccc(cc1)C(=O)O[C@@H](C)C(=O)N |
Cc1ccc(cc1)C(=O)O[C@H](C)C(=O)N |
Cc1ccc(cc1)C(=O)OCC(=O)NC2CC2 |
C[C@@H](C(=O)N)OC(=O)c1ccc2ccccc2c1 |
C[C@H](C(=O)N)OC(=O)c1ccc2ccccc2c1 |
c1ccc2cc(ccc2c1)C(=O)OCC(=O)N |
COCCCNS(=O)(=O)c1ccccc1F |
CCNC(=O)COC(=O)/C=C/c1ccccc1 |
c1ccc(cc1)/C=C/C(=O)OCC(=O)NC2CC2 |
Subsets and Splits