smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(N(C)C)cc2)[C@@H]1O ZINC000012483763 220000284 /nfs/dbraw/zinc/00/02/84/220000284.db2.gz XFXAMLOKYITYLH-HSFUPAIVSA-N 0 3 351.447 -0.069 40 10 biogenic,in-vitro FBCBHN O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1O)N1CCOCC1 ZINC000077265025 484598195 /nfs/dbraw/zinc/59/81/95/484598195.db2.gz QFZKDNITWDZLIE-BMFZPTHFSA-N 0 3 351.403 -0.348 40 10 biogenic,in-vitro FBCBHN