smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1ccc([O-])c2ccccc12)c1ccc(Br)cc1	ZINC000003292397	570336220	/nfs/dbraw/zinc/33/62/20/570336220.db2.gz	CLIIWUAFPDJNKR-UHFFFAOYSA-N	-2	3	378.247	4.109	50	10		GICAHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2Cl)c1	ZINC000005048540	204106708	/nfs/dbraw/zinc/10/67/08/204106708.db2.gz	WAPKRRXCKDRCFX-UHFFFAOYSA-N	-2	3	397.623	4.061	50	10		GICAHL
CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c3ccccc23)cc1	ZINC000001213513	570258632	/nfs/dbraw/zinc/25/86/32/570258632.db2.gz	XQNTUIOPVTWXCP-UHFFFAOYSA-N	-2	3	377.849	4.398	50	10		GICAHL
O=[N+]([O-])c1cccc2c([O-])c3oc4ccc5oc6ccccc6c5c4c3c([O-])c21	ZINC000018157520	570806747	/nfs/dbraw/zinc/80/67/47/570806747.db2.gz	OVBSWUMXKZSCFO-DENIHFKCSA-N	-2	3	385.331	4.418	50	10		GICAHL
O=C([O-])c1cccc(N2C(=O)/C(=C/c3cc(Cl)ccc3[O-])SC2=S)c1	ZINC000006321629	204174095	/nfs/dbraw/zinc/17/40/95/204174095.db2.gz	KOLNANYZRNRPDX-ZSOIEALJSA-N	-2	3	391.857	4.150	50	10		GICAHL
CCOC(=O)C(=C(C)NCc1ccccc1)c1cc([O-])c(Cl)c(Cl)c1[O-]	ZINC000102895559	570869885	/nfs/dbraw/zinc/86/98/85/570869885.db2.gz	IXCXXQUMDQONSE-RVDMUPIBSA-N	-2	3	396.270	4.489	50	10		GICAHL
O=[N+]([O-])c1cccc2c([O-])c3oc4ccc5oc6ccccc6c5c4c3c([O-])c21	ZINC000003013077	570526859	/nfs/dbraw/zinc/52/68/59/570526859.db2.gz	OVBSWUMXKZSCFO-KNQAVFIVSA-N	-2	3	385.331	4.418	50	10		GICAHL
O=[N+]([O-])c1cccc2c([O-])c3oc4ccc5oc6ccccc6c5c4c3c([O-])c21	ZINC000102059723	570840044	/nfs/dbraw/zinc/84/00/44/570840044.db2.gz	OVBSWUMXKZSCFO-SIKLNZKXSA-N	-2	3	385.331	4.418	50	10		GICAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1	ZINC000009418533	570557353	/nfs/dbraw/zinc/55/73/53/570557353.db2.gz	YDOMNQMULZPVDG-UHFFFAOYSA-N	-2	3	380.425	4.310	50	10		GICAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2OC(F)(F)F)c(Cl)c1	ZINC000170617701	570875059	/nfs/dbraw/zinc/87/50/59/570875059.db2.gz	DOJKGBMNDXXRBO-UHFFFAOYSA-N	-2	3	381.759	4.053	50	10		GICAHL
Cc1cc([N-]S(=O)(=O)c2ccccc2)c(C(C)C)c(Br)c1[O-]	ZINC000000947566	570734767	/nfs/dbraw/zinc/73/47/67/570734767.db2.gz	AKYSZNCRWRUZRE-UHFFFAOYSA-N	-2	3	384.295	4.387	50	10		GICAHL
Cc1c(Cl)c([O-])c(C(C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004284246	570365757	/nfs/dbraw/zinc/36/57/57/570365757.db2.gz	LLVDCVMQWBJGBB-UHFFFAOYSA-N	-2	3	384.841	4.186	50	10		GICAHL
Cc1c(Br)c([O-])c(C(C)C)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000000939783	570731371	/nfs/dbraw/zinc/73/13/71/570731371.db2.gz	ZKFXPAFCOFXCBK-UHFFFAOYSA-N	-2	3	384.295	4.387	50	10		GICAHL
O=S(=O)([N-]c1cc(Br)c([O-])c2ccccc12)c1ccc(F)cc1	ZINC000002955062	570319874	/nfs/dbraw/zinc/31/98/74/570319874.db2.gz	CAMNZAZSAHUYIQ-UHFFFAOYSA-N	-2	3	396.237	4.248	50	10		GICAHL
O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ccc2ccccc2c1	ZINC000000944051	209281750	/nfs/dbraw/zinc/28/17/50/209281750.db2.gz	ZJCHFNKIRWOXLU-UHFFFAOYSA-N	-2	3	378.247	4.109	50	10		GICAHL
Cc1cc([O-])c(Cl)c(C)c1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000001062879	212213023	/nfs/dbraw/zinc/21/30/23/212213023.db2.gz	LPSGNTZMWNZQIS-UHFFFAOYSA-N	-2	3	390.686	4.226	50	10		GICAHL
O=[N+]([O-])c1cccc2c([O-])c3oc4ccc5oc6ccccc6c5c4c3c([O-])c21	ZINC000102059725	570839851	/nfs/dbraw/zinc/83/98/51/570839851.db2.gz	OVBSWUMXKZSCFO-UGKGYDQZSA-N	-2	3	385.331	4.418	50	10		GICAHL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c(Cl)c1[O-]	ZINC000004284252	817516552	/nfs/dbraw/zinc/51/65/52/817516552.db2.gz	LBZGIAYVWYWUCZ-UHFFFAOYSA-N	-2	3	384.841	4.186	50	10		GICAHL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/[N-]C(=O)N(c3ccccc3)C2=O)o1	ZINC000004873121	570414434	/nfs/dbraw/zinc/41/44/34/570414434.db2.gz	BOOSVHLICMMPFN-LDADJPATSA-N	-2	3	388.379	4.051	50	10		GICAHL
Cc1cc([N-]S(=O)(=O)c2ccccc2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000008992961	570545555	/nfs/dbraw/zinc/54/55/55/570545555.db2.gz	OOHWJBAXKHVJPD-UHFFFAOYSA-N	-2	3	380.425	4.310	50	10		GICAHL
CCOC(=O)C(=C(C)NCc1ccccc1)c1cc([O-])c(Cl)c(Cl)c1[O-]	ZINC000019708233	571033168	/nfs/dbraw/zinc/03/31/68/571033168.db2.gz	IXCXXQUMDQONSE-PTNGSMBKSA-N	-2	3	396.270	4.489	50	10		GICAHL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/[N-]C(=O)N(c3ccccc3)C2=O)o1	ZINC000004702383	220751802	/nfs/dbraw/zinc/75/18/02/220751802.db2.gz	UDLFNRJYXKFBGE-LDADJPATSA-N	-2	3	388.379	4.051	50	10		GICAHL
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)cc1	ZINC000000670303	817372842	/nfs/dbraw/zinc/37/28/42/817372842.db2.gz	CFESEDJADQPQAE-UHFFFAOYSA-N	-2	3	384.295	4.253	50	10		GICAHL
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2Cl)cc1	ZINC000000851474	212189674	/nfs/dbraw/zinc/18/96/74/212189674.db2.gz	WNBLCJJHDTUIHY-UHFFFAOYSA-N	-2	3	382.652	4.162	50	10		GICAHL