smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[P@](=O)([O-])N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000034279157 188061234 /nfs/dbraw/zinc/06/12/34/188061234.db2.gz XVXVUGZUKCQIOK-SCSAIBSYSA-N -3 1 225.137 -0.291 1 0 in-vitro BBAFML