smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CC[P@@](=O)([O-])O)NO 28524874 169318347 /nfs/dbraw/zinc/31/83/47/169318347.db2.gz NJYNBLZKSCNAIK-UHFFFAOYSA-N -2 0 169.073 -0.940 1 30 ABEFRL O=C([O-])C=CC(=O)CC(=O)[O-] 1529385 560180861 /nfs/dbraw/zinc/18/08/61/560180861.db2.gz SOXXPQLIZIPMIZ-OWOJBTEDSA-N -2 0 158.109 -0.329 1 30 in-vitro ABEFRL O=C([O-])/C=C\C=C\C(=O)C(=O)[O-] 13543106 560219369 /nfs/dbraw/zinc/21/93/69/560219369.db2.gz WCKGDNDMGBXASH-TZFCGSKZSA-N -2 0 170.120 -0.163 1 30 in-vitro ABEFRL