smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1-c1nc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)n[n-]1	ZINC000218218202	557182862	/nfs/dbraw/zinc/18/28/62/557182862.db2.gz	OVPQSEVZMLDSAL-QGZVFWFLSA-N	-1	3	435.915	4.748	50	70		IJIAHM
COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)ccc1OCCc1ccccc1	ZINC000217727726	569452263	/nfs/dbraw/zinc/45/22/63/569452263.db2.gz	OOXWCYAUINNWEU-FQEVSTJZSA-N	-1	3	432.472	4.666	50	70	biogenic	IJIAHM
COc1ccccc1-c1nc(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)n[n-]1	ZINC000218218305	557182724	/nfs/dbraw/zinc/18/27/24/557182724.db2.gz	OVPQSEVZMLDSAL-KRWDZBQOSA-N	-1	3	435.915	4.748	50	70		IJIAHM
COc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)ccc1OCCc1ccccc1	ZINC000217727822	569452301	/nfs/dbraw/zinc/45/23/01/569452301.db2.gz	OOXWCYAUINNWEU-HXUWFJFHSA-N	-1	3	432.472	4.666	50	70	biogenic	IJIAHM
COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(-c2nc3ccccc3s2)c([O-])c1	ZINC000218306686	557191743	/nfs/dbraw/zinc/19/17/43/557191743.db2.gz	UXSPVSMAAIEKMJ-OAQYLSRUSA-N	-1	3	434.473	4.967	50	70		IJIAHM
COc1ccc(OC)c(-c2cc(C(=O)Nc3ccccc3-c3cn4ccsc4n3)[n-]n2)c1	ZINC000218553167	568760098	/nfs/dbraw/zinc/76/00/98/568760098.db2.gz	RELJUUCYVYWVEG-UHFFFAOYSA-N	-1	3	445.504	4.722	50	70		IJIAHM
COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(-c2nc3ccccc3s2)c([O-])c1	ZINC000218306644	557191647	/nfs/dbraw/zinc/19/16/47/557191647.db2.gz	UXSPVSMAAIEKMJ-NRFANRHFSA-N	-1	3	434.473	4.967	50	70		IJIAHM