smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc(Br)cc1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000120463770 530941318 /nfs/dbraw/zinc/94/13/18/530941318.db2.gz ODHLRKKLDINECG-UHFFFAOYSA-N 1 2 389.257 1.915 10 10 GDCELO COc1ccc(N2CC[NH+](CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1 ZINC000057711663 536695013 /nfs/dbraw/zinc/69/50/13/536695013.db2.gz UWBBBPPIAIQGPV-UHFFFAOYSA-N 1 2 393.451 1.432 10 10 GDCELO