smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1occ(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(O)c1C[NH+]1CCCC1 ZINC000218217315 557182699 /nfs/dbraw/zinc/18/26/99/557182699.db2.gz HRUFCKOFPPSRKN-UHFFFAOYSA-N 2 2 438.355 3.570 50 70 IHIALP O=c1cc(C[NH+]2CCCCCC2)oc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1O ZINC000218321352 568741574 /nfs/dbraw/zinc/74/15/74/568741574.db2.gz OOGUXAFLFCGUCM-DHZHZOJOSA-N 2 2 437.584 3.552 50 70 IHIALP