smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cccc(/C=N/c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c1[O-]	ZINC000016920327	558809212	/nfs/dbraw/zinc/80/92/12/558809212.db2.gz	JRMRBHYADZUYPM-LFVJCYFKSA-N	-2	3	406.507	4.981	50	30		HJEAHL
C=CCc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)c1[O-]	ZINC000016971338	558810757	/nfs/dbraw/zinc/81/07/57/558810757.db2.gz	VQZWEZVBWHTROM-RGVLZGJSSA-N	-2	3	415.316	4.686	50	30		HJEAHL
CCCC(=O)[N-]C([N-]c1ccc(OC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F	ZINC000098049054	559032742	/nfs/dbraw/zinc/03/27/42/559032742.db2.gz	LWWLMKSUBRRKRO-UHFFFAOYSA-N	-2	3	412.252	4.734	50	30		HJEAHL
[O-]c1c(Br)cc(C=Nc2cccc3ncccc23)c([O-])c1Br	ZINC000252628740	569311317	/nfs/dbraw/zinc/31/13/17/569311317.db2.gz	SWROMHAJYKSTGV-UHFFFAOYSA-N	-2	3	422.076	4.922	50	30		HJEAHL
CC(=O)C=C([O-])c1c(C)[n-]n(-c2nc(-c3ccc(Cl)cc3Cl)cs2)c1=O	ZINC000100095895	559146825	/nfs/dbraw/zinc/14/68/25/559146825.db2.gz	UVICDLDOYJCPEJ-YVMONPNESA-N	-2	3	410.282	4.961	50	30		HJEAHL
O=S(=O)([N-]c1nccs1)c1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000000907782	557115673	/nfs/dbraw/zinc/11/56/73/557115673.db2.gz	IRQHXAWMTDZJGM-LPYMAVHISA-N	-2	3	409.492	4.553	50	30		HJEAHL
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c([O-])c1	ZINC000005643981	557666080	/nfs/dbraw/zinc/66/60/80/557666080.db2.gz	OFWUHDMAQIIHPW-CIAFOILYSA-N	-2	3	401.923	4.695	50	30		HJEAHL
COc1cc(-c2nc3ccccn3c2/N=C/c2cc(Cl)c([O-])c(OC)c2)ccc1[O-]	ZINC000016196043	558778191	/nfs/dbraw/zinc/77/81/91/558778191.db2.gz	JPYGQMZBCVAVHE-WYMPLXKRSA-N	-2	3	423.856	4.834	50	30		HJEAHL
CCc1ccc([O-])c(/N=C/c2cc(Cl)cc(I)c2[O-])c1	ZINC000001434309	568942110	/nfs/dbraw/zinc/94/21/10/568942110.db2.gz	JYVRVWRQRFHZPP-QGMBQPNBSA-N	-2	3	401.631	4.669	50	30		HJEAHL
CCc1ccc(-n2c([O-])c(C=Nc3ccc(F)c(Cl)c3)c(=O)[n-]c2=S)cc1	ZINC000101602327	560797341	/nfs/dbraw/zinc/79/73/41/560797341.db2.gz	KTNCZDXLRJRJFJ-LSHDLFTRSA-N	-2	3	403.866	4.706	50	30		HJEAHL
[O-]c1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1cccc(Cl)c1	ZINC000006057884	569273053	/nfs/dbraw/zinc/27/30/53/569273053.db2.gz	VQSMLXPNBZFOFD-QGMBQPNBSA-N	-2	3	409.696	4.611	50	30		HJEAHL
O=S(=O)([N-]c1ccc(/C(=N/[O-])c2ccccc2)cc1)c1ccc2ccccc2c1	ZINC000102454093	560811718	/nfs/dbraw/zinc/81/17/18/560811718.db2.gz	ZVUPIOVZEWCOON-WCWDXBQESA-N	-2	3	402.475	4.867	50	30		HJEAHL