smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000217030464 570311942 /nfs/dbraw/zinc/31/19/42/570311942.db2.gz HFBYBAQAACDWNT-UHFFFAOYSA-N 2 2 380.330 2.435 40 70 GEIBLP