smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C)c(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1/N=N/Cl	ZINC000098090744	222229348	/nfs/dbraw/zinc/22/93/48/222229348.db2.gz	MTIDWMLLJKPVTC-NBRVCOCJSA-N	-1	0	368.802	4.903	10	10		FJCERM
COc1cc(C)c(/N=N\c2ccc(S(=O)(=O)[O-])cc2)cc1/N=N\Cl	ZINC000103842612	222344127	/nfs/dbraw/zinc/34/41/27/222344127.db2.gz	MTIDWMLLJKPVTC-BLLVGQQCSA-N	-1	0	368.802	4.903	10	10		FJCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2	ZINC000004825584	204166709	/nfs/dbraw/zinc/16/67/09/204166709.db2.gz	CFZIVKYCXBJSFO-PZROIBLQSA-N	-1	0	369.804	4.593	10	10		FJCERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2	ZINC000005331520	206194347	/nfs/dbraw/zinc/19/43/47/206194347.db2.gz	YIFKTZLGCKFXQX-JCGVRSQUSA-N	-1	0	370.246	4.974	10	10		FJCERM
COc1cc(C)c(/N=N\c2ccc(S(=O)(=O)[O-])cc2)cc1/N=N/Cl	ZINC000103842619	222343417	/nfs/dbraw/zinc/34/34/17/222343417.db2.gz	MTIDWMLLJKPVTC-JUJVUSMPSA-N	-1	0	368.802	4.903	10	10		FJCERM
Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(=O)[O-])cc1C	ZINC000020335043	211274376	/nfs/dbraw/zinc/27/43/76/211274376.db2.gz	MIGZEZCKKIKUSO-UHFFFAOYSA-N	-1	0	351.427	4.982	10	10		FJCERM
CCCc1c(O)c(O)c(C(=O)[O-])c2cc(Cc3ccccc3)c(C)cc21	ZINC000013435956	211034055	/nfs/dbraw/zinc/03/40/55/211034055.db2.gz	LVPYVYFMCKYFCZ-UHFFFAOYSA-N	-1	0	350.414	4.801	10	10		FJCERM
CC(C)c1ccc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)cc1	ZINC000016936308	220196737	/nfs/dbraw/zinc/19/67/37/220196737.db2.gz	IYKMDHRXGVRDHP-YVLHZVERSA-N	-1	0	366.442	4.591	10	10		FJCERM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)o3)C2=O)cc1	ZINC000002215808	536021788	/nfs/dbraw/zinc/02/17/88/536021788.db2.gz	LRXFIZNUIIBIHG-OOIIIRTPSA-N	-1	0	352.390	4.608	10	10		FJCERM
CC(C)c1ccc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)cc1	ZINC000016936216	220197239	/nfs/dbraw/zinc/19/72/39/220197239.db2.gz	NXGILIBJKHVEKD-BOPFTXTBSA-N	-1	0	366.442	4.591	10	10		FJCERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)CCc1ccccc1	ZINC000020335068	220322608	/nfs/dbraw/zinc/32/26/08/220322608.db2.gz	YJTMMYOJGFEJBC-UHFFFAOYSA-N	-1	0	351.427	4.685	10	10		FJCERM
Cc1cc(C(=O)[O-])c(C)n1-c1c(Cl)cc(Br)cc1Cl	ZINC000020505495	220330946	/nfs/dbraw/zinc/33/09/46/220330946.db2.gz	AJOXUOWTRDLQSD-UHFFFAOYSA-N	-1	0	363.038	4.862	10	10		FJCERM
COc1cc(C)c(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1/N=N\Cl	ZINC000103842615	222344303	/nfs/dbraw/zinc/34/43/03/222344303.db2.gz	MTIDWMLLJKPVTC-SLWFTFKRSA-N	-1	0	368.802	4.903	10	10		FJCERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)CCOc1ccccc1	ZINC000020335074	220321817	/nfs/dbraw/zinc/32/18/17/220321817.db2.gz	GGVFDRONSUPQOI-UHFFFAOYSA-N	-1	0	367.426	4.521	10	10		FJCERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1ccc(F)c(F)c1	ZINC000020335160	220321824	/nfs/dbraw/zinc/32/18/24/220321824.db2.gz	BMYMNXYMFRBGRQ-UHFFFAOYSA-N	-1	0	359.353	4.644	10	10		FJCERM
O=S(=O)([N-]c1ccc(O)c2ccccc12)c1cc(Cl)ccc1Cl	ZINC000005090912	570583258	/nfs/dbraw/zinc/58/32/58/570583258.db2.gz	XFLGFIUELHVBGS-UHFFFAOYSA-N	-1	0	368.241	4.653	10	10		FJCERM
CC(C)(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000059135100	136132169	/nfs/dbraw/zinc/13/21/69/136132169.db2.gz	KWTKITPUPLGJRJ-ATVHPVEESA-N	-1	0	366.392	4.630	10	10		FJCERM