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-])CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O	ZINC000409149141	560683879	/nfs/dbraw/zinc/68/38/79/560683879.db2.gz	XZDVYQLFXHXMKD-KRXBUXKQSA-N	-2	0	403.166	2.184	40	5		HEBBRL
O=c1[nH]c(=S)[nH]c([O-])c1C(c1cccc([N+](=O)[O-])c1)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000016399818	569041203	/nfs/dbraw/zinc/04/12/03/569041203.db2.gz	MLLBIKOBUKZITM-UHFFFAOYSA-N	-2	0	421.416	2.090	40	5		HEBBRL
O=c1[nH]c2ccc3[nH]c(=O)c(Br)c([O-])c3c2c([O-])c1Br	ZINC000006423877	557702008	/nfs/dbraw/zinc/70/20/08/557702008.db2.gz	CJXCPSQKQULPDX-UHFFFAOYSA-N	-2	0	401.998	2.306	40	5		HEBBRL
O=C([O-])COc1ccc(Br)cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000409320793	559247604	/nfs/dbraw/zinc/24/76/04/559247604.db2.gz	CJSIXTYGRPPJHX-IWQZZHSRSA-N	-2	0	412.152	2.192	40	5		HEBBRL
CCOC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OCC	ZINC000409353771	559248295	/nfs/dbraw/zinc/24/82/95/559248295.db2.gz	REVNLLLUIQVGJO-SOFGYWHQSA-N	-2	0	405.363	2.307	40	5		HEBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)OC(C)C	ZINC000408599975	559220233	/nfs/dbraw/zinc/22/02/33/559220233.db2.gz	PZJMSLBIGLRRQR-FNORWQNLSA-N	-2	0	405.363	2.305	40	5		HEBBRL
O=C([O-])CN1C(=O)S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409146813	560684797	/nfs/dbraw/zinc/68/47/97/560684797.db2.gz	LDPAUGOFHIRJFL-FPYGCLRLSA-N	-2	0	403.166	2.184	40	5		HEBBRL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])[nH]1	ZINC000107602789	560750879	/nfs/dbraw/zinc/75/08/79/560750879.db2.gz	UOIDQZAUEXOETL-VOTSOKGWSA-N	-2	0	410.342	2.346	40	5		HEBBRL
O=C([O-])c1cccc([N+](=O)[O-])c1N1CCN(c2c(C(=O)[O-])cccc2[N+](=O)[O-])CC1	ZINC000012356966	132359005	/nfs/dbraw/zinc/35/90/05/132359005.db2.gz	TZGUMQVZJGQNEQ-UHFFFAOYSA-N	-2	0	416.346	2.226	40	5		HEBBRL