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-])c1ccc(COc2ccc(Cl)cc2/C=C2\SC(=S)[N-]C2=O)cc1	ZINC000107742051	569361169	/nfs/dbraw/zinc/36/11/69/569361169.db2.gz	MIJHNWNXFONIQJ-NVNXTCNLSA-N	-2	1	405.884	4.106	40	10		HICBML
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000108997587	569361388	/nfs/dbraw/zinc/36/13/88/569361388.db2.gz	ROPZPUJGCBJKEU-RIYZIHGNSA-N	-2	1	418.565	4.221	40	10		HICBML
O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000408778047	560640686	/nfs/dbraw/zinc/64/06/86/560640686.db2.gz	PIRFBKVISXCOSL-BJMVGYQFSA-N	-2	1	411.628	4.019	40	10		HICBML
O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000408781522	560641475	/nfs/dbraw/zinc/64/14/75/560641475.db2.gz	UCCYTBZNGMPZDS-BJMVGYQFSA-N	-2	1	411.628	4.019	40	10		HICBML
Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000408533754	557317884	/nfs/dbraw/zinc/31/78/84/557317884.db2.gz	PAWMGHLUOWSDQF-YBEGLDIGSA-N	-2	1	414.259	4.174	40	10		HICBML
O=C(c1ccccc1)c1ccc([O-])c([C@@H](c2ccccc2Cl)N2CCOCC2)c1[O-]	ZINC000016477001	558793372	/nfs/dbraw/zinc/79/33/72/558793372.db2.gz	KGAPLTGIMHDQRX-JOCHJYFZSA-N	-2	1	423.896	4.404	40	10		HICBML
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4[O-])c3=O)n2)cc1	ZINC000100510829	560725431	/nfs/dbraw/zinc/72/54/31/560725431.db2.gz	WZDJYBSEKBFMFL-CCWVLBSLSA-N	-2	1	407.455	4.399	40	10		HICBML
O=C(c1ccccc1)c1ccc([O-])c([C@H](c2ccccc2Cl)N2CCOCC2)c1[O-]	ZINC000016476998	558793414	/nfs/dbraw/zinc/79/34/14/558793414.db2.gz	KGAPLTGIMHDQRX-QFIPXVFZSA-N	-2	1	423.896	4.404	40	10		HICBML
O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=S)[N-]C3=O)cc2Cl)cc1	ZINC000408532663	557314957	/nfs/dbraw/zinc/31/49/57/557314957.db2.gz	VCNBRZTVBCSWFR-NVNXTCNLSA-N	-2	1	405.884	4.106	40	10		HICBML
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4[O-])c3=O)n2)cc1	ZINC000100510828	560725453	/nfs/dbraw/zinc/72/54/53/560725453.db2.gz	WZDJYBSEKBFMFL-KGNHYALCSA-N	-2	1	407.455	4.399	40	10		HICBML