smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1	ZINC000007360875	560750474	/nfs/dbraw/zinc/75/04/74/560750474.db2.gz	NUKNKOJWASOZNK-UHFFFAOYSA-N	-2	1	410.451	3.746	40	0		HHABML
Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000010315175	560767500	/nfs/dbraw/zinc/76/75/00/560767500.db2.gz	ARRRPJFORXWFES-UHFFFAOYSA-N	-2	1	410.451	3.746	40	0		HHABML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000007360883	569337316	/nfs/dbraw/zinc/33/73/16/569337316.db2.gz	PLRRAUTXSFZTLX-UHFFFAOYSA-N	-2	1	410.451	3.746	40	0		HHABML
O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000085344776	568982706	/nfs/dbraw/zinc/98/27/06/568982706.db2.gz	WJKXJWZFBKUEAT-CYBMUJFWSA-N	-2	1	408.690	3.621	40	0		HHABML
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)cc1	ZINC000005392731	569328494	/nfs/dbraw/zinc/32/84/94/569328494.db2.gz	FTZAQIGQIQPIGG-UHFFFAOYSA-N	-2	1	410.451	3.746	40	0		HHABML
Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000010314940	569343565	/nfs/dbraw/zinc/34/35/65/569343565.db2.gz	HYPAYATZIKSKGL-UHFFFAOYSA-N	-2	1	410.451	3.746	40	0		HHABML
Cc1nnc(SC(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[O-])[nH]1	ZINC000006588285	560744918	/nfs/dbraw/zinc/74/49/18/560744918.db2.gz	GRLWAWCWEBPNEF-AUWJEWJLSA-N	-2	1	405.819	3.943	40	0		HHABML
Cc1nc(SC(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[O-])n[nH]1	ZINC000006588285	560744919	/nfs/dbraw/zinc/74/49/19/560744919.db2.gz	GRLWAWCWEBPNEF-AUWJEWJLSA-N	-2	1	405.819	3.943	40	0		HHABML
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1	ZINC000007360872	569337332	/nfs/dbraw/zinc/33/73/32/569337332.db2.gz	WLOFBBRSSFBZJC-UHFFFAOYSA-N	-2	1	410.451	3.746	40	0		HHABML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2)cc1	ZINC000007360877	560750464	/nfs/dbraw/zinc/75/04/64/560750464.db2.gz	SSCJXUZGPCINLM-UHFFFAOYSA-N	-2	1	410.451	3.746	40	0		HHABML
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)cc1	ZINC000007360880	569337264	/nfs/dbraw/zinc/33/72/64/569337264.db2.gz	MZSAFFHZUALQKO-UHFFFAOYSA-N	-2	1	410.451	3.746	40	0		HHABML
COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)ccc2s1	ZINC000223256502	568542813	/nfs/dbraw/zinc/54/28/13/568542813.db2.gz	SMNXKAVAPLBXML-UHFFFAOYSA-N	-2	1	419.480	3.506	40	0		HHABML
O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000085344774	526307319	/nfs/dbraw/zinc/30/73/19/526307319.db2.gz	WJKXJWZFBKUEAT-ZDUSSCGKSA-N	-2	1	408.690	3.621	40	0		HHABML
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl	ZINC000408594495	557512308	/nfs/dbraw/zinc/51/23/08/557512308.db2.gz	SMBIOGSYZRDTJR-UHFFFAOYSA-N	-2	1	409.769	3.623	40	0		HHABML
Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000054363181	558867788	/nfs/dbraw/zinc/86/77/88/558867788.db2.gz	YDEDIUJNANWZIU-UHFFFAOYSA-N	-2	1	404.669	3.910	40	0		HHABML
Cc1nnc(SC(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[O-])[nH]1	ZINC000006588291	569333462	/nfs/dbraw/zinc/33/34/62/569333462.db2.gz	UTYFBQDUHDPPGL-AUWJEWJLSA-N	-2	1	405.819	3.943	40	0		HHABML
Cc1nc(SC(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[O-])n[nH]1	ZINC000006588291	569333463	/nfs/dbraw/zinc/33/34/63/569333463.db2.gz	UTYFBQDUHDPPGL-AUWJEWJLSA-N	-2	1	405.819	3.943	40	0		HHABML
Cc1nnc(SC(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)[O-])[nH]1	ZINC000006588264	569333485	/nfs/dbraw/zinc/33/34/85/569333485.db2.gz	LXGGSSNJAWNFSP-YVLHZVERSA-N	-2	1	411.439	3.608	40	0		HHABML
Cc1nc(SC(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)[O-])n[nH]1	ZINC000006588264	569333486	/nfs/dbraw/zinc/33/34/86/569333486.db2.gz	LXGGSSNJAWNFSP-YVLHZVERSA-N	-2	1	411.439	3.608	40	0		HHABML
Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000010315153	569343506	/nfs/dbraw/zinc/34/35/06/569343506.db2.gz	UCHFWHOWEFRLHB-UHFFFAOYSA-N	-2	1	410.451	3.746	40	0		HHABML
O=c1[nH]c(-c2cc(Br)c([O-])c(Br)c2[O-])nc2ccccc12	ZINC000409260208	560704312	/nfs/dbraw/zinc/70/43/12/560704312.db2.gz	MOOZBGJZKZEELG-UHFFFAOYSA-N	-2	1	412.037	3.939	40	0		HHABML