smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000013362686 948780263 /nfs/dbraw/zinc/78/02/63/948780263.db2.gz NSPVKWWJNGGXPA-WEVVVXLNSA-N -2 0 217.180 1.376 50 50 BDGARL