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(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1[O-]	ZINC000252462786	570961120	/nfs/dbraw/zinc/96/11/20/570961120.db2.gz	WFTUZILCIHSAJF-UHFFFAOYSA-N	-2	1	377.429	3.706	50	30		GHEAML
CN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000100215296	523674780	/nfs/dbraw/zinc/67/47/80/523674780.db2.gz	PDWASHCATMWKGP-LBVWADOBSA-N	-2	1	388.832	3.978	50	30		GHEAML
CN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)S/C1=N/c1cccc(C(=O)[O-])c1	ZINC000100260872	530039665	/nfs/dbraw/zinc/03/96/65/530039665.db2.gz	KUUNKBNNOIIUOH-NPQTWSAXSA-N	-2	1	388.832	3.978	50	30		GHEAML
CSc1ccc(Cl)c(C(=O)[N-]S(=O)(=O)c2nc3ccccc3[n-]2)c1	ZINC000069516097	526010204	/nfs/dbraw/zinc/01/02/04/526010204.db2.gz	GNVULLANHNFOIH-UHFFFAOYSA-N	-2	1	381.866	3.632	50	30		GHEAML
C=CCc1cc(C=C2SC(=S)[N-]C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000020168733	570254856	/nfs/dbraw/zinc/25/48/56/570254856.db2.gz	LFNPJONSXHBYAU-MDWZMJQESA-N	-2	1	379.459	3.606	50	30		GHEAML
C=CCc1cc(C=C2SC(=S)[N-]C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000013881643	206247583	/nfs/dbraw/zinc/24/75/83/206247583.db2.gz	LFNPJONSXHBYAU-JYRVWZFOSA-N	-2	1	379.459	3.606	50	30		GHEAML
CN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)SC1=Nc1cccc(C(=O)[O-])c1	ZINC000252617521	571019376	/nfs/dbraw/zinc/01/93/76/571019376.db2.gz	KUUNKBNNOIIUOH-GOPRROFKSA-N	-2	1	388.832	3.978	50	30		GHEAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)c1	ZINC000022959453	570296806	/nfs/dbraw/zinc/29/68/06/570296806.db2.gz	QIRPNGSBTIDUBM-UHFFFAOYSA-N	-2	1	383.450	3.647	50	30		GHEAML
C=CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)[N-]C1=S	ZINC000013801445	518831407	/nfs/dbraw/zinc/83/14/07/518831407.db2.gz	CCDYBBZIZVDPAD-GDNBJRDFSA-N	-2	1	396.424	3.606	50	30		GHEAML
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1[O-]	ZINC000100507556	520899439	/nfs/dbraw/zinc/89/94/39/520899439.db2.gz	WFTUZILCIHSAJF-OQKWZONESA-N	-2	1	377.429	3.706	50	30		GHEAML
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1[O-]	ZINC000012413064	570656336	/nfs/dbraw/zinc/65/63/36/570656336.db2.gz	WFTUZILCIHSAJF-XLNRJJMWSA-N	-2	1	377.429	3.706	50	30		GHEAML
CN1C(=O)/C(=C\c2ccc([O-])c(Cl)c2)SC1=Nc1cccc(C(=O)[O-])c1	ZINC000252617522	571019545	/nfs/dbraw/zinc/01/95/45/571019545.db2.gz	KUUNKBNNOIIUOH-HAGUHXJUSA-N	-2	1	388.832	3.978	50	30		GHEAML