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)([O-])O[C@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H]2CO[C@@H]([C@H]2O)[C@H]1O	ZINC000004096561	560194201	/nfs/dbraw/zinc/19/42/01/560194201.db2.gz	OGFGYTRGDDWUKC-VFAVGCSDSA-N	-1	0	404.346	-4.525	10	0	in-vitro	HAAERM
NC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCC[C@@H]([NH3+])C(=O)[O-])[C@H]2SC1	ZINC000004097197	560194404	/nfs/dbraw/zinc/19/44/04/560194404.db2.gz	LSRDVUINCBDNAZ-JWKOBGCHSA-N	-1	0	416.412	-1.598	10	0	in-vitro	HAAERM
Cn1c([O-])c(C(c2ccncc2)c2c([O-])n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O	ZINC000016037441	558769708	/nfs/dbraw/zinc/76/97/08/558769708.db2.gz	KPIFAENZWSUGJV-UHFFFAOYSA-N	-1	0	401.379	-1.532	10	0		HAAERM
C[C@@H](O)[C@H](NC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)[O-]	ZINC000031474771	558750817	/nfs/dbraw/zinc/75/08/17/558750817.db2.gz	UNUYMBPXEFMLNW-DWVDDHQFSA-N	-1	0	412.359	-2.607	10	0	endogenous,in-man	HAAERM
Nc1ccc(O)c(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c1	ZINC000031501401	558751121	/nfs/dbraw/zinc/75/11/21/558751121.db2.gz	PYIOCFGATFKYGA-UWVGGRQHSA-N	-1	0	414.440	-1.056	10	0	in-vitro	HAAERM
CCN(CC)C(=O)[S@@](=O)C[C@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000035643995	569047015	/nfs/dbraw/zinc/04/70/15/569047015.db2.gz	DRAAJCHXTUZVPN-LAOMSSCUSA-N	-1	0	408.433	-2.316	10	0	in-vitro	HAAERM
CCN(CC)C(=O)[S@](=O)C[C@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000035643999	558794848	/nfs/dbraw/zinc/79/48/48/558794848.db2.gz	DRAAJCHXTUZVPN-XYMBQQPASA-N	-1	0	408.433	-2.316	10	0	in-vitro	HAAERM
CCN(CC)C(=O)[S@@](=O)C[C@@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000035644003	569047031	/nfs/dbraw/zinc/04/70/31/569047031.db2.gz	DRAAJCHXTUZVPN-ZUTLVAOSSA-N	-1	0	408.433	-2.316	10	0	in-vitro	HAAERM
CCN(CC)C(=O)[S@](=O)C[C@@H](NC(=O)C[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000035644006	558794810	/nfs/dbraw/zinc/79/48/10/558794810.db2.gz	DRAAJCHXTUZVPN-PTVPGDJQSA-N	-1	0	408.433	-2.316	10	0	in-vitro	HAAERM
Nc1nc(=O)n([C@@H]2CS[C@H](CO[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)O2)cc1F	ZINC000038653239	558813357	/nfs/dbraw/zinc/81/33/57/558813357.db2.gz	KLILDKWVMCMYID-ANAKBQEJSA-N	-1	0	423.375	-2.539	10	0	in-vitro	HAAERM
COc1ccccc1OC[C@@H](COC(N)=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077302110	559001003	/nfs/dbraw/zinc/00/10/03/559001003.db2.gz	AWABFKBRFKCYRC-JEPUPVKNSA-N	-1	0	417.367	-1.553	10	0	in-vitro	HAAERM
COc1ccccc1OC[C@H](COC(N)=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077302114	559000941	/nfs/dbraw/zinc/00/09/41/559000941.db2.gz	AWABFKBRFKCYRC-NZIXPTKMSA-N	-1	0	417.367	-1.553	10	0	in-vitro	HAAERM
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NS(=O)(=O)[O-])ccc12	ZINC000087492955	559062010	/nfs/dbraw/zinc/06/20/10/559062010.db2.gz	WTEDCRZHOZSQII-JPIRQXTESA-N	-1	0	417.392	-1.320	10	0		HAAERM
CO[C@H]1[C@H](C(=O)[O-])O[C@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H](C)[C@H]2NC(C)=O)[C@@H](O)[C@@H]1O	ZINC000669679154	569070350	/nfs/dbraw/zinc/07/03/50/569070350.db2.gz	GAIWTPWLGYKINJ-NMOZSVFJSA-N	-1	0	409.388	-3.437	10	0		HAAERM
CO[C@H]1[C@H](C(=O)[O-])O[C@H](O[C@@H]2[C@@H](O)[C@@H](CO)O[C@H](C)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O	ZINC000669679155	569070374	/nfs/dbraw/zinc/07/03/74/569070374.db2.gz	GAIWTPWLGYKINJ-OXCVTIKPSA-N	-1	0	409.388	-3.437	10	0		HAAERM
CO[C@H]1[C@H](C(=O)[O-])O[C@H](O[C@@H]2[C@@H](O)[C@@H](CO)O[C@H](C)[C@H]2NC(C)=O)[C@@H](O)[C@@H]1O	ZINC000669679156	569070373	/nfs/dbraw/zinc/07/03/73/569070373.db2.gz	GAIWTPWLGYKINJ-UZBJJFEESA-N	-1	0	409.388	-3.437	10	0		HAAERM
CO[C@H]1[C@H](C(=O)[O-])O[C@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H](C)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O	ZINC000669679157	569070347	/nfs/dbraw/zinc/07/03/47/569070347.db2.gz	GAIWTPWLGYKINJ-WSZNYYBHSA-N	-1	0	409.388	-3.437	10	0		HAAERM