smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(Cl)c([N+](=O)[O-])c3)CC(=O)N2C(C)(C)C)cn1 ZINC000583622135 560777477 /nfs/dbraw/zinc/77/74/77/560777477.db2.gz RLAXABLYVNLIRP-IFXJQAMLSA-N 1 0 419.913 3.460 10 5 HGBERO C[N@H+](CCCNC(=O)c1cccn2c(=O)c3ccccc3nc12)Cc1ccccc1 ZINC000002957265 568829889 /nfs/dbraw/zinc/82/98/89/568829889.db2.gz QPXPDIZHRCFUJC-UHFFFAOYSA-N 1 0 400.482 3.100 10 5 HGBERO