smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000037032141 182862607 /nfs/dbraw/zinc/86/26/07/182862607.db2.gz IELNUIXXXYNGPI-QMTHXVAHSA-N 1 2 302.245 4.757 10 10 DJCELO