smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1cc(-c2ccccc2)n[nH]1 ZINC000150663560 1064277595 /nfs/dbraw/zinc/27/75/95/1064277595.db2.gz DTQMGTXMYTWHCX-ZVBGSRNCSA-N -1 0 614.210 4.421 20 30 KIEDRM C[C@@H]1CCCC[C@@H]1NC([S-])=C(C([O-])=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1ccc2c(c1)CCCC2 ZINC000728556250 1064285999 /nfs/dbraw/zinc/28/59/99/1064285999.db2.gz FYNWJKNRPFAQGL-JPYJTQIMSA-O -1 0 500.710 4.416 20 30 KIEDRM C[C@@H]1CCCC[C@H]1NC([S-])=C(C([O-])=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1ccc2c(c1)CCCC2 ZINC000728556251 1064286597 /nfs/dbraw/zinc/28/65/97/1064286597.db2.gz FYNWJKNRPFAQGL-WZONZLPQSA-O -1 0 500.710 4.416 20 30 KIEDRM