smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2nc3ccc(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)cc3[nH]2)cc1 ZINC000026734701 132225716 /nfs/dbraw/zinc/22/57/16/132225716.db2.gz ZEEIKPHYGCYRRH-UHFFFAOYSA-N 1 1 438.535 4.534 30 0 IJACMO