smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(C[NH+]2CCCCC2)nc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000035926888 568931745 /nfs/dbraw/zinc/93/17/45/568931745.db2.gz IRCHMMMOPAAPMV-UHFFFAOYSA-N 2 0 426.521 2.376 50 5 IEBARP CN1CCN(c2nc3c(c(N4CCCC4)n2)CN(Cc2ccc([N+](=O)[O-])cc2)CC3)CC1 ZINC000034755413 568738030 /nfs/dbraw/zinc/73/80/30/568738030.db2.gz VBWUVSXXUCCOGR-UHFFFAOYSA-N 2 0 437.548 2.295 50 5 IEBARP