smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(O)c(C=O)c(=O)[nH]1 136021210 343973477 /nfs/dbraw/zinc/97/34/77/343973477.db2.gz ZVHRUNSLGSHJLP-UHFFFAOYSA-N -2 2 154.125 -0.497 40 10 ABCBLL