smiles
stringlengths 5
260
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|---|
c1ccc(c(c1)C(=O)OCC[C@@H]2CCCC[NH2+]2)N |
Cc1ccccc1OC[C@@H](C[NH+]2CCC=CC2)O |
COc1cc(cc(c1OC)OC)/C=C/C(=O)N |
c1cc(=O)[nH]cc1C(=O)N2CCCCC2 |
c1cc(cnc1)[C@H]2n3ccc(c3CS2)C(=O)N |
CCn1c2ccccc2nc(c1=O)NC |
Cc1cc(c2c(c1)nc(o2)N3CC[NH2+]CC3)C |
c1ccc(cc1)CNc2[nH]c(=O)c3cn[nH]c3n2 |
c1cc(oc1)C(=O)N[C@@H]2C[NH+]3CCC2CC3 |
c1c(c(on1)C2CC2)C(=O)NC3CCC3 |
c1ccc(cc1)CCCC(=O)N2CCOCC2 |
CCOC(=O)c1ccc(nc1)N2CC[NH+](CC2)C |
C[NH+]1CCCN(CC1)c2ccc(cn2)C(=O)OC |
COc1ccc2c(c1)sc(n2)NC(=O)CO |
c1cc2c(c(c1)Cl)nc(s2)NC(=O)CO |
c1cc2c(nc1)n(c(=O)o2)CC[NH+]3CCCCC3 |
c1cc2c(cc1C(=O)N3CCC=CC3)non2 |
c1cc2c(cc1C(=O)N3CCC(CC3)F)non2 |
c1cc2c(cc1C(=O)N3CCSCC3)non2 |
c1cc2c(cc1C(=O)N3CCC(=O)CC3)non2 |
Cc1c(cc2c(n1)[nH]c(=O)[nH]2)c3ccncc3 |
C[NH+]1CCCN(CC1)c2nc3ccccc3o2 |
CC(C)(CNc1cc(nc(n1)N)Cl)CO |
c1cc(ccc1CO)C(=O)N2CCCCC2 |
CC(C)(CO)NC(=O)c1ccc(cc1F)F |
CC(C)(CO)NC(=O)c1ccc(cn1)Cl |
CCC(CC)Nc1c2c(ncn1)n(cn2)C |
CC[C@H](C)[C@@H](C(=O)Nc1ccncc1)[NH3+] |
CC(=O)Nc1cccc(c1)c2cn[nH]n2 |
Cc1cc(oc1C(=O)[O-])CSc2[nH]ncn2 |
CCSc1ccc(cc1)C(=O)NCC(=O)[O-] |
C1CCC2(CC1)CCC[NH+](C2)CC(=O)N |
CC(=O)N(C)[C@@H](c1ccccc1)C(=O)[O-] |
CC(=O)N(C)[C@H](c1ccccc1)C(=O)[O-] |
c1cc(cnc1)NC(=S)NCC2CC2 |
CC(C)(CO)NC(=S)Nc1cccc(c1)F |
CC(C)(CO)NC(=S)Nc1ccccc1F |
CC(C)(CO)NC(=S)NC1CCCCC1 |
CNC(=O)Nc1cccc2c1nccc2 |
c1cc(c(nc1)OCC(F)(F)F)C(=O)N |
CN(C)C(=O)c1ccc(nc1)OCC(F)(F)F |
Cc1c2cc(sc2n(n1)C)C(=O)OC |
C#Cc1cccc(c1)NC(=O)CCC(=O)[O-] |
C[C@H]1CCCN(C1)c2ccc3nncn3n2 |
C[C@@H]1CCCN(C1)c2ccc3nncn3n2 |
COC(=O)CSc1c(cccn1)C(=O)OC |
Cn1c(c(cn1)Cl)C(=O)Nc2cccnc2 |
c1cc(ncc1C(F)(F)F)SCC(=O)N |
Cc1csc2c1c(ncn2)N3CCOCC3 |
CCC(=O)Nc1ccsc1C(=O)OC |
c1ccc(c(c1)C(=O)N)NC(=O)c2ccoc2 |
C1CC1c2nnc(s2)NC(=O)C3CC3 |
CNC(=O)c1cc(ccc1Br)OC |
CNC(=S)Nc1ccc(cc1F)F |
c1cc(cc(c1)F)NC(=S)NCCC(=O)[O-] |
Cc1ccccc1Cn2c(=O)ccc(n2)C |
Cc1ccc(=O)n(n1)Cc2ccc(cc2)F |
Cc1ccc(cc1)Cn2c(=O)ccc(n2)C |
CN(C)C(=S)NCc1cccs1 |
CC(C)(C)NC(=S)N1CCSCC1 |
Cc1cc(no1)NC(=O)C[C@@H](C)CC(=O)[O-] |
Cc1cc(no1)NC(=O)C[C@H](C)CC(=O)[O-] |
COc1ccc(cc1)c2c(nco2)C(=O)N |
CCOC(=O)c1csc(n1)c2cnccn2 |
Cc1c(sc(n1)N2CCOCC2)C(=O)C |
Cc1cc2c(ncnc2s1)N(C)CCO |
Cc1cc(no1)NC(=O)c2c(noc2C)C |
c1ccc(cc1)n2cnc(n2)SCC(=O)[O-] |
Cc1nc(no1)c2ccc3c(c2)CCO3 |
CC(=O)CSc1nc([nH]n1)C(C)(C)C |
COC(=O)c1ccsc1NC(=O)C2CC2 |
COCC(=O)Nc1c(ccs1)C(=O)OC |
Cn1c(ccn1)NC(=O)c2ccccc2C(=O)[O-] |
Cn1c(ccn1)NC(=O)c2ccccc2 |
Cn1c(ccn1)NC(=O)CCc2ccccc2 |
c1cnc(nc1C(F)(F)F)N2CCOCC2 |
Cc1cc(no1)NC(=O)NCc2cccnc2 |
Cc1c2c(onc2c(=O)n(n1)c3ccccc3)C |
c1cc(cnc1)NC(=O)[C@H]2CCCS2 |
c1cc(cnc1)NC(=O)[C@@H]2CCCS2 |
COC(=O)c1c(=O)ccn(n1)c2ccc(cc2)F |
Cc1ccc(cc1C)C[C@H](C(=O)[O-])NC(=O)C |
Cc1cc(no1)C(=O)NCC[NH+]2CCCCC2 |
c1cc(ccc1n2c(c[nH]c2=O)[O-])Cl |
Cc1ccc(cc1)c2c(nco2)C(=O)N |
CC(C)(C)NC(=O)NCc1ccncc1 |
CNC(=O)NCc1c(cccc1Cl)F |
C1CCN(C1)C(=O)CCCC(=O)N2CCCC2 |
c1cc(sc1)C(=O)N2CCSCC2 |
Cc1c(cnn1c2ccc(cc2)Cl)C(=O)N |
c1ccc2c(c1)CC(C2)NC(=O)CCC(=O)[O-] |
Cc1ccsc1CNC(=O)CCC(=O)[O-] |
c1ccc(cc1)[C@@H](CNC(=O)c2ccco2)O |
c1ccc(cc1)[C@H](CNC(=O)c2ccco2)O |
CC(C)(CC(=O)Nc1ccnn1C)CC(=O)[O-] |
c1nc2nc3c(c(n2n1)N4CCCCC4)CCC3 |
c1ccc2c(c1)C(=O)N(S2(=O)=O)CC3CC3 |
c1ccc(cc1)CCn2cnc3c2ncnc3N |
CC(C)CNC(=O)[C@H]1CC(=NO1)c2ccccc2 |
CC(C)CNC(=O)[C@@H]1CC(=NO1)c2ccccc2 |
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