smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](O[P@@](=O)([O-])O)C(=O)[O-] 12503331 560212538 /nfs/dbraw/zinc/21/25/38/560212538.db2.gz OETAGSCBSKODFW-VKHMYHEASA-N -2 2 184.084 -0.041 1 0 in-vitro ABAFLL CC[C@H](O[P@](=O)([O-])O)C(=O)[O-] 12503331 560212540 /nfs/dbraw/zinc/21/25/40/560212540.db2.gz OETAGSCBSKODFW-VKHMYHEASA-N -2 2 184.084 -0.041 1 0 in-vitro ABAFLL O=C([O-])C(O)CO[P@@](=O)([O-])O 69480508 574415399 /nfs/dbraw/zinc/41/53/99/574415399.db2.gz VARUZFXGTDMTRC-UHFFFAOYSA-N -2 2 186.056 -0.061 1 0 endogenous,in-vitro ABAFLL O=C([O-])C(O)CO[P@](=O)([O-])O 69480508 574415400 /nfs/dbraw/zinc/41/54/00/574415400.db2.gz VARUZFXGTDMTRC-UHFFFAOYSA-N -2 2 186.056 -0.061 1 0 endogenous,in-vitro ABAFLL