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([O-])c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1	ZINC000020481655	526377228	/nfs/dbraw/zinc/37/72/28/526377228.db2.gz	WMQIDSSNJAFJCM-UHFFFAOYSA-N	-2	1	430.869	4.091	40	0		IIABML
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])n1	ZINC000408632829	556004937	/nfs/dbraw/zinc/00/49/37/556004937.db2.gz	TYXUPKKZGHCOGV-NVNXTCNLSA-N	-2	1	431.857	4.050	40	0		IIABML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1	ZINC000020110316	556985065	/nfs/dbraw/zinc/98/50/65/556985065.db2.gz	IXAFYWKUMWUHBR-UHFFFAOYSA-N	-2	1	444.896	4.400	40	0		IIABML
O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(F)cc1	ZINC000014223850	557433325	/nfs/dbraw/zinc/43/33/25/557433325.db2.gz	VCONWCUYGFUMHH-UHFFFAOYSA-N	-2	1	440.905	4.081	40	0		IIABML
O=C([O-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2Br)o1	ZINC000226352978	556684871	/nfs/dbraw/zinc/68/48/71/556684871.db2.gz	HAKVFMDLWODWPP-UHFFFAOYSA-N	-2	1	440.246	4.347	40	0		IIABML
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000085344772	568815199	/nfs/dbraw/zinc/81/51/99/568815199.db2.gz	PNWBLDILSLQUIB-OAHLLOKOSA-N	-2	1	447.727	4.102	40	0		IIABML
O=C([O-])c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1	ZINC000408671309	556060858	/nfs/dbraw/zinc/06/08/58/556060858.db2.gz	KILPNEGCWNLULD-UHFFFAOYSA-N	-2	1	430.869	4.091	40	0		IIABML
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)cc1	ZINC000022530365	525602528	/nfs/dbraw/zinc/60/25/28/525602528.db2.gz	QKTSQEOGQSREFN-UHFFFAOYSA-N	-2	1	444.896	4.400	40	0		IIABML
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1ccccc1[O-]	ZINC000408563052	555906752	/nfs/dbraw/zinc/90/67/52/555906752.db2.gz	TWQRZZJNKFPDMI-UHFFFAOYSA-N	-2	1	429.270	4.024	40	0		IIABML
O=C([O-])c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	ZINC000408674103	556064295	/nfs/dbraw/zinc/06/42/95/556064295.db2.gz	XLEGFIIKKRZIAP-UHFFFAOYSA-N	-2	1	430.869	4.091	40	0		IIABML
CN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000059599844	569249745	/nfs/dbraw/zinc/24/97/45/569249745.db2.gz	GIBYEFTXKCNSQP-JUDSMDKYSA-N	-2	1	433.283	4.087	40	0		IIABML
O=C([O-])c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1	ZINC000408672176	556060339	/nfs/dbraw/zinc/06/03/39/556060339.db2.gz	MDMJHWGWLRVVAE-UHFFFAOYSA-N	-2	1	430.869	4.091	40	0		IIABML
Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000408672178	556060393	/nfs/dbraw/zinc/06/03/93/556060393.db2.gz	MEQVJOARANVDIQ-UHFFFAOYSA-N	-2	1	444.896	4.400	40	0		IIABML
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000085344770	568815213	/nfs/dbraw/zinc/81/52/13/568815213.db2.gz	PNWBLDILSLQUIB-HNNXBMFYSA-N	-2	1	447.727	4.102	40	0		IIABML
O=C([O-])c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1	ZINC000408673761	556065475	/nfs/dbraw/zinc/06/54/75/556065475.db2.gz	UYCJKALIMYTHBP-UHFFFAOYSA-N	-2	1	430.869	4.091	40	0		IIABML
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000408674242	556067044	/nfs/dbraw/zinc/06/70/44/556067044.db2.gz	YRGVCCVOJTZRGN-UHFFFAOYSA-N	-2	1	444.896	4.400	40	0		IIABML
O=C([O-])c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1	ZINC000020455901	526377459	/nfs/dbraw/zinc/37/74/59/526377459.db2.gz	RAWHJXXCNZDJMM-UHFFFAOYSA-N	-2	1	430.869	4.091	40	0		IIABML
O=C([O-])C(Oc1nc(=S)[nH]c(=S)[n-]1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000001588760	555704567	/nfs/dbraw/zinc/70/45/67/555704567.db2.gz	MCXPIOKGQAXUJW-UHFFFAOYSA-N	-2	1	440.333	4.163	40	0	in-vitro	IIABML