smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc2c(c1)n1c[n+]2CCOCCn2c[n+](c3cc([N+](=O)[O-])ccc32)CCOCC1 ZINC000016310754 527380268 /nfs/dbraw/zinc/38/02/68/527380268.db2.gz ZSWSHOSFBWIUPI-UHFFFAOYSA-N 2 0 468.470 1.734 40 5 JDBBRP CC[NH+](CC)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](CC)CC)c(=O)c4ccc(c1=O)c2c34 ZINC000005045562 554485608 /nfs/dbraw/zinc/48/56/08/554485608.db2.gz BVJPPBWWKKDUGR-UHFFFAOYSA-N 2 0 464.566 1.749 40 5 JDBBRP