smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])Oc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)nc1N ZINC000221253874 717161259 /nfs/dbraw/zinc/16/12/59/717161259.db2.gz PPCWKAIUBRZAME-PRULPYPASA-O -1 0 505.334 -2.244 10 5 KABERM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](COP(=O)([O-])[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299872223 572140718 /nfs/dbraw/zinc/14/07/18/572140718.db2.gz NBXGKBASYKEBOZ-OPXVNJCFSA-N -1 0 742.684 -2.104 10 5 KABERM