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+]1CCC(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000217030343 570311953 /nfs/dbraw/zinc/31/19/53/570311953.db2.gz LTRWVEUXBAEJSN-UHFFFAOYSA-N 2 1 394.357 2.872 40 70 GFIBMP