smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@H]4CC[C@@H]3O4)cc2)no1	ZINC000017092649	560867228	/nfs/dbraw/zinc/86/72/28/560867228.db2.gz	AXMOQMWHHSRTLD-XRGAULLZSA-N	-1	2	421.431	1.601	40	0		HDABLM
O=S(=O)([N-]c1ccc(NS(=O)(=O)c2ccccc2)c[n+]1[O-])c1ccccc1	ZINC000001583251	557274204	/nfs/dbraw/zinc/27/42/04/557274204.db2.gz	JYARTUSXIDILNK-UHFFFAOYSA-N	-1	2	405.457	1.922	40	0		HDABLM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])cc2)no1	ZINC000035897859	557829547	/nfs/dbraw/zinc/82/95/47/557829547.db2.gz	AXMOQMWHHSRTLD-VRKREXBASA-N	-1	2	421.431	1.601	40	0		HDABLM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]2CC[C@@H]1O2	ZINC000017093562	571307951	/nfs/dbraw/zinc/30/79/51/571307951.db2.gz	OKDJJEATYLQQOR-ZOBORPQBSA-N	-1	2	423.472	1.761	40	0		HDABLM
Cc1[n-]n2c(nc3c(c2=O)CN(C(=O)C[C@@H]2SC(=O)NC2=O)C3)c1-c1ccccc1	ZINC000100215385	559131967	/nfs/dbraw/zinc/13/19/67/559131967.db2.gz	XMAAKHMSZCXHLA-AWEZNQCLSA-N	-1	2	423.454	1.994	40	0		HDABLM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]2CC[C@@H]1O2	ZINC000017093563	571307969	/nfs/dbraw/zinc/30/79/69/571307969.db2.gz	OKDJJEATYLQQOR-RFGFWPKPSA-N	-1	2	423.472	1.761	40	0		HDABLM
O=C(O)c1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)[O-])CC3)c(F)cc2c1=O	ZINC000002540760	132255575	/nfs/dbraw/zinc/25/55/75/132255575.db2.gz	SDLYZOYQWKDWJG-UHFFFAOYSA-N	-1	2	411.411	1.099	40	0	in-vitro	HDABLM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000035898067	557650972	/nfs/dbraw/zinc/65/09/72/557650972.db2.gz	OKDJJEATYLQQOR-RQJABVFESA-N	-1	2	423.472	1.761	40	0		HDABLM
Nc1nc(O)c(C(c2ccc(Cl)cc2Cl)C2C(=O)N=C(N)N=C2[O-])c(=O)[nH]1	ZINC000408928112	560655084	/nfs/dbraw/zinc/65/50/84/560655084.db2.gz	ZOEHGNVHKTZURD-UHFFFAOYSA-N	-1	2	411.205	1.401	40	0		HDABLM
Cc1[n-]n2c(nc3c(c2=O)CN(C(=O)C[C@H]2SC(=O)NC2=O)C3)c1-c1ccccc1	ZINC000100215381	559131961	/nfs/dbraw/zinc/13/19/61/559131961.db2.gz	XMAAKHMSZCXHLA-CQSZACIVSA-N	-1	2	423.454	1.994	40	0		HDABLM
COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc(C(=O)OC)c1	ZINC000223370530	568546742	/nfs/dbraw/zinc/54/67/42/568546742.db2.gz	PUTLIEKCILSJTC-UHFFFAOYSA-N	-1	2	411.363	1.898	40	0		HDABLM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])cc2)no1	ZINC000035897857	557829635	/nfs/dbraw/zinc/82/96/35/557829635.db2.gz	AXMOQMWHHSRTLD-CLWVCHIJSA-N	-1	2	421.431	1.601	40	0		HDABLM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4CC[C@@H]3O4)cc2)no1	ZINC000017092648	560867237	/nfs/dbraw/zinc/86/72/37/560867237.db2.gz	AXMOQMWHHSRTLD-XNISGKROSA-N	-1	2	421.431	1.601	40	0		HDABLM
O=C([O-])CN1CC2(c3ccccc3)C[NH+](CC(=O)[O-])CC(c3ccccc3)(C1)C2=O	ZINC000005646989	568453386	/nfs/dbraw/zinc/45/33/86/568453386.db2.gz	BMYAPEXEXOUMGL-UHFFFAOYSA-N	-1	2	408.454	1.232	40	0		HDABLM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O	ZINC000408586653	557492872	/nfs/dbraw/zinc/49/28/72/557492872.db2.gz	AVZOXOMTSLIILX-FPYGCLRLSA-N	-1	2	420.013	1.895	40	0		HDABLM