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-])c1cc([O-])c([N+](=O)[O-])c(O)c1 40448351 169356618 /nfs/dbraw/zinc/35/66/18/169356618.db2.gz XOZMTLQVNJQYLW-UHFFFAOYSA-N -2 0 199.118 0.704 40 5 ACBBRL O=C([O-])c1ccc([O-])c([N+](=O)[O-])n1 71255433 169358230 /nfs/dbraw/zinc/35/82/30/169358230.db2.gz FPKRZQVKJFIIIL-UHFFFAOYSA-N -2 0 184.107 0.394 40 5 ACBBRL