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(NCC[NH+]1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1 ZINC000020941202 568652634 /nfs/dbraw/zinc/65/26/34/568652634.db2.gz HMIVCECCKSQYDU-UHFFFAOYSA-N 2 0 412.494 2.073 50 5 HEBARP Cn1ccnc1C(=O)c1ccc(N(CCC[NH+](C)C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000072312212 558799822 /nfs/dbraw/zinc/79/98/22/558799822.db2.gz MJKFCCQMLMDZEA-UHFFFAOYSA-N 2 0 416.526 2.269 50 5 HEBARP