smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(=O)c([N+](=O)[O-])c(NC[C@H](O)[C@@H](O)[C@H](O)CO)[nH]1 ZINC000012504180 257133122 /nfs/dbraw/zinc/13/31/22/257133122.db2.gz KSKGHNZSCSCHEQ-MRKVFDINSA-N -1 0 306.231 -3.542 1 5 in-vivo DABFRM O=c1[n-]c(=O)c([N+](=O)[O-])c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]1 ZINC000012504178 257133487 /nfs/dbraw/zinc/13/34/87/257133487.db2.gz KSKGHNZSCSCHEQ-RPDRRWSUSA-N -1 0 306.231 -3.542 1 5 in-vivo DABFRM