smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Br)c([O-])c(/C=N/c2ccc([O-])c(-c3nc4c(cccc4C)o3)c2)c1	ZINC000003114310	556685914	/nfs/dbraw/zinc/68/59/14/556685914.db2.gz	XOKXQAQUTDINOF-BHGWPJFGSA-N	-2	1	437.293	6.036	50	30		IKEAML
CC[C@@H](C)c1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2[O-])c(O)c1	ZINC000018192893	557246918	/nfs/dbraw/zinc/24/69/18/557246918.db2.gz	RTRFFZMSJVVNDA-KSXCTLEASA-N	-2	1	438.365	6.715	50	30		IKEAML
COc1ccc(/N=C/c2cc(Br)c([O-])c(Br)c2[O-])cc1Cl	ZINC000001433907	568795610	/nfs/dbraw/zinc/79/56/10/568795610.db2.gz	KQAIORDQTOQCJN-NGYBGAFCSA-N	-2	1	435.499	5.035	50	30		IKEAML
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000008902675	569484448	/nfs/dbraw/zinc/48/44/48/569484448.db2.gz	KXVGCKQUNYHQRK-OAQYLSRUSA-N	-2	1	447.874	5.130	50	30		IKEAML
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cc(Cl)ccc1[O-]	ZINC000009334928	569523180	/nfs/dbraw/zinc/52/31/80/569523180.db2.gz	NTXURDMOSSRYGX-FSJBWODESA-N	-2	1	426.929	5.640	50	30		IKEAML
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008902671	569484387	/nfs/dbraw/zinc/48/43/87/569484387.db2.gz	KXVGCKQUNYHQRK-NRFANRHFSA-N	-2	1	447.874	5.130	50	30		IKEAML
[O-]c1c(Br)cc(/C=N/c2ccc3c4c(cccc42)CC3)c([O-])c1Br	ZINC000096509943	557202277	/nfs/dbraw/zinc/20/22/77/557202277.db2.gz	OBDINIJNQDRXNW-LSFURLLWSA-N	-2	1	447.126	5.625	50	30		IKEAML
CC[C@H](C)c1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2[O-])c(O)c1	ZINC000018192895	557246997	/nfs/dbraw/zinc/24/69/97/557246997.db2.gz	RTRFFZMSJVVNDA-WBILBPDKSA-N	-2	1	438.365	6.715	50	30		IKEAML