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(NCCN1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1 ZINC000020941202 568652638 /nfs/dbraw/zinc/65/26/38/568652638.db2.gz HMIVCECCKSQYDU-UHFFFAOYSA-N 1 3 412.494 2.073 50 5 HEBAHO CN(C)CCCN(CCC[NH+](C)C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000072312212 558799824 /nfs/dbraw/zinc/79/98/24/558799824.db2.gz MJKFCCQMLMDZEA-UHFFFAOYSA-N 1 3 416.526 2.269 50 5 HEBAHO