smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccccc1C(O)=C[N+](=O)[O-] ZINC000003161411 344532396 /nfs/dbraw/zinc/53/23/96/344532396.db2.gz ADEFZUOQYBQDFV-UHFFFAOYSA-N -1 2 209.157 0.844 40 30 BCEBLM O=C([O-])C(=O)C=C(O)c1cccc(O)c1 ZINC000006732169 384165062 /nfs/dbraw/zinc/16/50/62/384165062.db2.gz BKMYVWDEXQTAGB-YVMONPNESA-N -1 2 208.169 0.945 40 30 BCEBLM