smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000021010686 171286816 /nfs/dbraw/zinc/28/68/16/171286816.db2.gz JGTHUUIHCXANPX-UHFFFAOYSA-N 1 2 288.218 4.511 20 10 CJCDLO