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(Nc1ccc(Cl)cc1)c1cc(=O)c2cccc([O-])c2[n-]1 ZINC000073197094 191291315 /nfs/dbraw/zinc/29/13/15/191291315.db2.gz NJKAVCZOYJQNDR-UHFFFAOYSA-N -2 3 314.728 3.552 1 0 DHAFHL CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c([O-])c(F)c1[O-] ZINC000058575893 184123088 /nfs/dbraw/zinc/12/30/88/184123088.db2.gz WDHZGMSZCVJKRF-UHFFFAOYSA-N -2 3 315.344 3.516 1 0 DHAFHL CCCc1cc([O-])c2c(O)cccc2c1-c1cc([O-])cc(=O)o1 ZINC000014650427 560223901 /nfs/dbraw/zinc/22/39/01/560223901.db2.gz XGGZRXUATHGLQU-UHFFFAOYSA-N -2 3 312.321 3.529 1 0 in-vitro DHAFHL O=c1oc2cc([O-])ccc2cc1Oc1ccc(Cl)cc1[O-] ZINC000038943037 183013379 /nfs/dbraw/zinc/01/33/79/183013379.db2.gz UBCXCRQXPSAIBV-UHFFFAOYSA-N -2 3 304.685 3.650 1 0 in-vitro DHAFHL