smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCn1cc(C=C2SC(=S)[N-]C2=O)c(-c2cccc3ccccc32)n1	ZINC000003299737	960481075	/nfs/dbraw/zinc/48/10/75/960481075.db2.gz	LKOWLSZJANSEEM-MHWRWJLKSA-N	-2	1	409.492	3.667	50	10		HHCAML
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1C	ZINC000006215588	569033322	/nfs/dbraw/zinc/03/33/22/569033322.db2.gz	IFUASAXSTZENKM-UNOMPAQXSA-N	-2	1	402.406	3.723	50	10		HHCAML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21	ZINC000263597336	571110509	/nfs/dbraw/zinc/11/05/09/571110509.db2.gz	GQCUEANXEKPQGU-SFHVURJKSA-N	-2	1	424.438	3.667	50	10		HHCAML
CCc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1	ZINC000005954365	568832237	/nfs/dbraw/zinc/83/22/37/568832237.db2.gz	IMTWOUPRWIFYHX-UYRXBGFRSA-N	-2	1	402.406	3.669	50	10		HHCAML
O=C([O-])CCn1cc(C=C2SC(=S)[N-]C2=O)c(-c2cccc3ccccc32)n1	ZINC000012377798	568552201	/nfs/dbraw/zinc/55/22/01/568552201.db2.gz	LKOWLSZJANSEEM-YBEGLDIGSA-N	-2	1	409.492	3.667	50	10		HHCAML
O=S(=O)([N-]c1ccc2nc(N3CCCC3)sc2c1)c1cc(F)cc(F)c1[O-]	ZINC000242339056	452921438	/nfs/dbraw/zinc/92/14/38/452921438.db2.gz	ZENZGZKPGXAEPI-UHFFFAOYSA-N	-2	1	411.455	3.681	50	10		HHCAML
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc[nH]n3)c2)c1C	ZINC000006269274	557696886	/nfs/dbraw/zinc/69/68/86/557696886.db2.gz	IIYHDWHRDGAVLO-UHFFFAOYSA-N	-2	1	404.517	3.696	50	10		HHCAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)c3ccccc32)ccc1O	ZINC000011635080	558264806	/nfs/dbraw/zinc/26/48/06/558264806.db2.gz	XYULMHHLXVBQMA-UHFFFAOYSA-N	-2	1	422.256	3.807	50	10		HHCAML
Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(SCC(=O)[O-])c(O)c2ccccc12	ZINC000008439320	557789455	/nfs/dbraw/zinc/78/94/55/557789455.db2.gz	MSIFHZTUWKBDIH-UHFFFAOYSA-N	-2	1	421.471	3.970	50	10		HHCAML
O=S(=O)([N-]c1cc(Br)c([O-])c(Br)c1)c1ccccc1	ZINC000002944707	568819779	/nfs/dbraw/zinc/81/97/79/568819779.db2.gz	GQORONPQIJQFDJ-UHFFFAOYSA-N	-2	1	407.083	3.718	50	10		HHCAML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21	ZINC000263597335	571110512	/nfs/dbraw/zinc/11/05/12/571110512.db2.gz	GQCUEANXEKPQGU-GOSISDBHSA-N	-2	1	424.438	3.667	50	10		HHCAML
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1C	ZINC000005443055	560587786	/nfs/dbraw/zinc/58/77/86/560587786.db2.gz	IFUASAXSTZENKM-XDHOZWIPSA-N	-2	1	402.406	3.723	50	10		HHCAML
Cc1ccc(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000000944472	568754333	/nfs/dbraw/zinc/75/43/33/568754333.db2.gz	DPTYIVMAPDAPIM-UHFFFAOYSA-N	-2	1	403.481	3.831	50	10		HHCAML
O=C([O-])CSc1cc([N-]S(=O)(=O)c2ccc(F)cc2)c2ccccc2c1O	ZINC000000944521	568754318	/nfs/dbraw/zinc/75/43/18/568754318.db2.gz	SVMSPCODNMIVPY-UHFFFAOYSA-N	-2	1	407.444	3.662	50	10		HHCAML
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000016158335	558774111	/nfs/dbraw/zinc/77/41/11/558774111.db2.gz	FBLVKSVBGQBYOO-AUWJEWJLSA-N	-3	1	402.453	3.820	50	10		HHCAML
COc1ccc(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000002497212	568776429	/nfs/dbraw/zinc/77/64/29/568776429.db2.gz	WWPDFQGBFIREKS-UHFFFAOYSA-N	-2	1	419.480	3.532	50	10		HHCAML