smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c2nc3c(C(=O)NCC[NH+]4CCN(c5ccccc5)CC4)c(N)c(=O)c(C)c-3oc12 ZINC000150384985 571468416 /nfs/dbraw/zinc/46/84/16/571468416.db2.gz KECMICZSONPIAB-UHFFFAOYSA-N 2 2 702.860 3.596 40 5 KHBBLP