smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)c(C)c1	ZINC000014979145	561752667	/nfs/dbraw/zinc/75/26/67/561752667.db2.gz	SFQBOTBDUOOSJB-ZELUPATCSA-N	-3	1	527.584	3.918	1	10	in-vivo	KHCFML
C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N(CC(=O)[O-])Cc1cc(C(C)(C)C)cc(I)c1O	ZINC000029390774	562017327	/nfs/dbraw/zinc/01/73/27/562017327.db2.gz	KGHWLONCYUEIGE-KKSFZXQISA-N	-2	1	596.462	3.772	1	10		KHCFML
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(/N=N/c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2)cc1)C(N1CC1)(N1CC1)N1CC1	ZINC000049770012	562677937	/nfs/dbraw/zinc/67/79/37/562677937.db2.gz	HGDCEIFGXOXKLX-ULIFNZDWSA-N	-2	1	679.810	3.699	1	10		KHCFML
O=S(=O)([O-])OCCc1cc(O)c(O)c(Br)c1Cc1cc(O)c([O-])c(Br)c1Br	ZINC000049878043	562690403	/nfs/dbraw/zinc/69/04/03/562690403.db2.gz	RSHSGTXAJDPDPI-UHFFFAOYSA-N	-2	1	593.040	3.749	1	10		KHCFML
[O-]c1c(Br)cc(CO)c(Oc2c([O-])c(Br)cc(CO)c2Br)c1O	ZINC000049878118	562690397	/nfs/dbraw/zinc/69/03/97/562690397.db2.gz	VROPXEOEAVUYAZ-UHFFFAOYSA-N	-2	1	514.948	3.868	1	10		KHCFML
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c([O-])c(CN(C)C(=O)[C@H](C)OC(C)=O)c4)c(=O)oc3c2C)OC1(C)C	ZINC000095539749	562755279	/nfs/dbraw/zinc/75/52/79/562755279.db2.gz	HNGYPDJBPLLSNZ-NCEBNXOZSA-N	-2	1	769.801	3.537	1	10		KHCFML
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)c(C)c1	ZINC000100404507	562806938	/nfs/dbraw/zinc/80/69/38/562806938.db2.gz	SFQBOTBDUOOSJB-GJQPQMNHSA-N	-3	1	527.584	3.918	1	10	in-vivo	KHCFML