smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nnc(NN=C(CCC(=O)[O-])C(=O)[O-])[nH]c1=O ZINC000003901920 351315547 /nfs/dbraw/zinc/31/55/47/351315547.db2.gz VTDVKSDSOLZOAP-LFYBBSHMSA-N -2 2 269.217 -0.809 50 30 CBEALL