smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C(=O)C=C([O-])c2ccccc2)cc1 ZINC000100257856 519679282 /nfs/dbraw/zinc/67/92/82/519679282.db2.gz OXIODTCRDQAQHE-BOPFTXTBSA-N -2 0 388.401 1.775 10 30 GDEERL CN1C(C(=O)Nc2ncc(C(=O)[O-])s2)=C([O-])c2ccccc2S1(=O)=O ZINC000022054044 530571989 /nfs/dbraw/zinc/57/19/89/530571989.db2.gz MTQQFYLGAZXHTB-UHFFFAOYSA-N -2 0 381.391 1.990 10 30 world GDEERL