SMILES
stringlengths 5
260
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C[NH+](C)CCN(C)C(=O)c1cccc2c1[nH]cc2
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c1ccc(cc1)OCC[NH+]2CCC[C@H](C2)C(=O)[O-]
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CC(C)(C(=O)N)N(C)C(=O)c1ccccc1
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c1ccc(cc1)C[NH2+]C[C@@H]2CCS(=O)(=O)C2
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c1ccc(cc1)C[NH2+]C[C@H]2CCS(=O)(=O)C2
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CC(C)Nc1cc(n(c1O)Cc2ccccc2)O
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CNC(=O)NC12CC3CC(C1)CC(C3)C2
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COCCNC(=O)c1cc(on1)c2ccco2
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c1c(onc1C(=O)N2CCCC2)C3CC3
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CCCc1cc(no1)C(=O)NCc2cccnc2
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CC(C)CNC(=O)c1c2c(on1)CCCC2
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Cc1cccc(c1)CN=Nc2[nH]c(=O)c(nn2)C
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Cc1cccc(c1)CN=Nc2[nH]c(=O)c(nn2)C
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c1ccnc(c1)CN=Nc2cn[nH]c(=O)c2Cl
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c1ccnc(c1)CN=Nc2cn[nH]c(=O)c2Cl
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c1csc(n1)C[NH+]2CC[C@]3(C2)CCC[NH2+]C3
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C[NH+]1CC[C@]2(C1)CCCN(C2)C(=O)c3ccco3
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c1ccc2c(c1)CCN2S(=O)(=O)c3cnc[nH]3
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Cc1cc(no1)NC(=O)c2c(nco2)C
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CCOC(=O)c1c(c(c([nH]1)C)C(=O)N(C)C)C
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Cn1cc(c2c1cccc2)CC(=O)NCCOC
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Cc1c(ocn1)C(=O)Nc2ccccc2C(=O)N
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Cc1c(ocn1)C(=O)Nc2nccs2
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c1cc(ccc1/C=N\NC(=O)N)N2CCCC2
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c1cc(ccc1/C=N/NC(=O)N)N2CCCC2
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c1cc(ccc1C[NH+]2CCCCC2)c3n[n-]nn3
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COc1cc(c(c(c1)OC)N)C(=O)OC
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c1ccn(c1)CCC(=O)Nc2nccs2
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CCCNC(=O)c1c(c(c([nH]1)C)C(=O)C)C
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Cc1ccc(cc1)c2cc(n(c2O)C)O
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Cn1cccc1C(=O)Nc2nccs2
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c1cc2c(cc1NC(=O)C[NH+]3CCCC3)OCO2
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CCCNC(=O)NCCc1ccccn1
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CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)F
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CC[C@H](C(=O)[O-])NC(=O)c1ccc(cc1)F
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CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)Cl
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CC[C@H](C(=O)[O-])NC(=O)c1ccc(cc1)Cl
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CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)C
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CC[C@H](C(=O)[O-])NC(=O)c1ccc(cc1)C
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CC[C@@H](C(=O)[O-])NC(=O)c1ccccc1Cl
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CC[C@H](C(=O)[O-])NC(=O)c1ccccc1Cl
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CC[C@@H](C(=O)[O-])NC(=O)c1cccc(c1)Cl
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CC[C@H](C(=O)[O-])NC(=O)c1cccc(c1)Cl
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CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)OC
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CC[C@H](C(=O)[O-])NC(=O)c1ccc(cc1)OC
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CC[C@@H](C(=O)[O-])NC(=O)c1ccccc1F
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CC[C@H](C(=O)[O-])NC(=O)c1ccccc1F
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CC[C@@H](C(=O)[O-])NC(=O)c1cccs1
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CC[C@H](C(=O)[O-])NC(=O)c1cccs1
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c1cc(c(cc1NC(=O)C[NH3+])Cl)Cl
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Cc1ccc2c(c1)sc(n2)NC(=O)C[NH3+]
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c1ccc2c(c1)/C(=C/c3cnccn3)/C(=O)N2
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CCOc1ccc(cc1OC)c2n[n-]nn2
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Cc1nc2ccccc2c(n1)SCC(=O)NC
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CCOc1c(cccc1OC)CC(=O)[O-]
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c1ccc2c(c1)c(ncn2)NCCOCCO
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c1c(coc1C[NH+]2CCCCC2)C(=O)[O-]
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CCC[C@@H](C(=O)NCCc1ccccc1)[NH3+]
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CCC[C@H](C(=O)NCCc1ccccc1)[NH3+]
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Cc1nc2ccccc2c(n1)S[C@@H](C)C(=O)N
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Cc1nc2ccccc2c(n1)S[C@H](C)C(=O)N
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CNC(=O)COC(=O)c1ccc(s1)Cl
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C[C@@H](C(=O)N)OC(=O)c1ccc(s1)Cl
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C[C@H](C(=O)N)OC(=O)c1ccc(s1)Cl
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c1cc(sc1C(=O)OCC(=O)N)Cl
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Cc1ccc(cc1)n2c3c(cn2)c(=O)n(cn3)C
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CN(c1ccccc1)C(=O)C2=COCCO2
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CCC(=O)Nc1c(ccs1)C(=O)NC
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CC(C)C(=O)Nc1c(ccs1)C(=O)NC
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CCCC(=O)Nc1c(ccs1)C(=O)NC
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CC(=O)c1cc(ccc1OCC(=O)N)Cl
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c1ccc2c(c1)c(c[nH]2)CCC(=O)OCC(=O)N
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C[C@H](C(=O)[O-])NC(=O)Nc1ccccc1F
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C[C@H](C(=O)[O-])NC(=O)NCc1cccs1
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CCc1ccccc1NC(=O)N[C@H](C)C(=O)[O-]
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CSCCNC(=O)c1ccccc1N
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c1ccc2c(c1)CCN2C(=O)c3ccc(=O)[nH]n3
|
CS(=O)(=O)Cc1cc(cc2c1OCOC2)F
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COC(=O)CSc1c2c(ccs2)ncn1
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Cc1c(c([nH]c1C(=O)OCC(=O)C)C)C(=O)C
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CNC(=O)COC(=O)c1cc2ccccc2o1
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c1ccc2c(c1)cc(o2)C(=O)O[C@@H]3CCOC3=O
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c1ccc2c(c1)cc(o2)C(=O)O[C@H]3CCOC3=O
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Cc1ccc(cc1)COC(=O)C2=NNC(=O)CC2
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Cc1cccc(c1NC(=O)NCCCO)C
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CCS(=O)(=O)NCCc1c(nc(s1)C)C
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CC(C)C[C@H](C(=O)N)NC(=O)OC(C)(C)C
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CC[C@H](C)[C@@H](C(=O)NC)NC(=O)OC(C)(C)C
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c1ccc(c(c1)NNC(=O)CCC(=O)[O-])F
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Cc1cccc(c1)NNC(=O)CCC(=O)[O-]
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CC[NH2+]CC(=O)N1CCc2ccccc2C1
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CNC(=O)Nc1cnccc1C(F)(F)F
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C1CCC(CC1)COC(=O)C2=NNC(=O)CC2
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Cc1ccccc1COC(=O)C2=NNC(=O)CC2
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CC[C@@](C)(C(=O)[O-])NC(=O)c1ccccc1
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CC[C@](C)(C(=O)[O-])NC(=O)c1ccccc1
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Cc1ccc2c(cc(=O)oc2c1)C[NH+](C)CCO
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c1cc(cc(c1)F)NNC(=O)CCC(=O)[O-]
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c1cc(cc(c1)Cl)NNC(=O)CCC(=O)[O-]
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c1cc(nc(c1)Cl)NNC(=O)CCC(=O)[O-]
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