smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1c2ccccc2oc1-c1ccccc1)c1ccc([O-])cc1 ZINC000029409249 182564716 /nfs/dbraw/zinc/56/47/16/182564716.db2.gz RDWUDKIZLACHKY-UHFFFAOYSA-N -1 1 314.340 5.036 1 0 DKAFMM CCCc1ccc(O)c(-c2cc(CCC)cc(Cl)c2[O-])c1 ZINC000073310741 191304164 /nfs/dbraw/zinc/30/41/64/191304164.db2.gz SNPHBEKMRRWFRT-UHFFFAOYSA-N -1 1 304.817 5.323 1 0 DKAFMM [O-]c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1Cl ZINC000095602817 185382305 /nfs/dbraw/zinc/38/23/05/185382305.db2.gz JNLMLXHVKQIVSC-UHFFFAOYSA-N -1 1 323.097 5.510 1 0 DKAFMM [O-]c1ccc(-c2ccccc2-c2nc3ccccc3o2)cc1Cl ZINC000169350538 197745211 /nfs/dbraw/zinc/74/52/11/197745211.db2.gz UEBSFCVHMRZVIF-UHFFFAOYSA-N -1 1 321.763 5.521 1 0 DKAFMM