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(N[C@H](c2ccc([N+](=O)[O-])cc2)n2nnc3ccccc32)cc1	ZINC000005338702	204127669	/nfs/dbraw/zinc/12/76/69/204127669.db2.gz	LSKRJTLKEFVHTM-IBGZPJMESA-N	-1	0	389.371	3.697	10	5		GHBERM
O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCN1Cc1ccccc1	ZINC000716189954	977814686	/nfs/dbraw/zinc/81/46/86/977814686.db2.gz	UOQVFKWFQOCVQO-ZDUSSCGKSA-N	-1	0	375.812	3.633	10	5		GHBERM
O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCN1Cc1ccccc1	ZINC000716189953	977814656	/nfs/dbraw/zinc/81/46/56/977814656.db2.gz	UOQVFKWFQOCVQO-CYBMUJFWSA-N	-1	0	375.812	3.633	10	5		GHBERM
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1	ZINC000588437491	842720242	/nfs/dbraw/zinc/72/02/42/842720242.db2.gz	SSWNIAUMIYLBON-QBFSEMIESA-N	-1	0	390.399	3.696	10	5		GHBERM
O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2cccc3ncccc32)c1	ZINC000102319918	872898472	/nfs/dbraw/zinc/89/84/72/872898472.db2.gz	YPJFKGWQHJRPAW-UHFFFAOYSA-N	-1	0	395.343	3.545	10	5		GHBERM
Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2)n1	ZINC000161081044	859568126	/nfs/dbraw/zinc/56/81/26/859568126.db2.gz	KMRIXVUHWHLURC-UHFFFAOYSA-N	-1	0	379.419	3.729	10	5		GHBERM
O=C([O-])CCN(Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000692522958	976521784	/nfs/dbraw/zinc/52/17/84/976521784.db2.gz	KFIMUDJWUOLOFA-UHFFFAOYSA-N	-1	0	379.210	3.839	10	5		GHBERM
O=C([O-])/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1	ZINC000028523569	207342653	/nfs/dbraw/zinc/34/26/53/207342653.db2.gz	HHPCAQCBQSNNRF-ATVHPVEESA-N	-1	0	378.340	3.710	10	5		GHBERM
O=C([O-])C1CCN(c2ncnc3scc(-c4cccc([N+](=O)[O-])c4)c32)CC1	ZINC000020320833	207188652	/nfs/dbraw/zinc/18/86/52/207188652.db2.gz	DOFNCEUKFMLRBQ-UHFFFAOYSA-N	-1	0	384.417	3.568	10	5		GHBERM
O=C([O-])c1cccc([N+](=O)[O-])c1/C=C/c1ccc(I)o1	ZINC000069593628	901118903	/nfs/dbraw/zinc/11/89/03/901118903.db2.gz	LRDQPIBXXODFJF-GQCTYLIASA-N	-1	0	385.113	3.661	10	5		GHBERM
O=C([O-])c1ccc(N[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnc3ccccc32)cc1	ZINC000005338705	206606201	/nfs/dbraw/zinc/60/62/01/206606201.db2.gz	LSKRJTLKEFVHTM-LJQANCHMSA-N	-1	0	389.371	3.697	10	5		GHBERM
O=C([O-])[C@H]1CCCN(c2ncnc3scc(-c4cccc([N+](=O)[O-])c4)c32)C1	ZINC000020318851	207187776	/nfs/dbraw/zinc/18/77/76/207187776.db2.gz	RCODUHVKYJKKDN-LBPRGKRZSA-N	-1	0	384.417	3.568	10	5		GHBERM
Cc1nc(-c2cc3ccc([O-])cc3oc2=O)cc2c3ccc(O)cc3oc(=O)c12	ZINC000002478323	209366710	/nfs/dbraw/zinc/36/67/10/209366710.db2.gz	LCRDDANZDVOYHG-UHFFFAOYSA-N	-1	0	387.347	3.834	10	5		GHBERM
O=C([O-])CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Br	ZINC000692525877	976521821	/nfs/dbraw/zinc/52/18/21/976521821.db2.gz	XNSIFBAPPYRQBE-UHFFFAOYSA-N	-1	0	379.210	3.839	10	5		GHBERM
COc1cccc(-c2nsc([N-]C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])n2)c1	ZINC000102910820	873811811	/nfs/dbraw/zinc/81/18/11/873811811.db2.gz	KRUDUCWIQXAERK-UHFFFAOYSA-N	-1	0	392.343	3.652	10	5		GHBERM
COc1cccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])c(C)s3)n2)c1	ZINC000102910907	838267715	/nfs/dbraw/zinc/26/77/15/838267715.db2.gz	QJKBFZLDPIKQOO-UHFFFAOYSA-N	-1	0	376.419	3.744	10	5		GHBERM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccncc2)ccc1C	ZINC000101850632	838017915	/nfs/dbraw/zinc/01/79/15/838017915.db2.gz	PYRTYVWBHTZQJO-UHFFFAOYSA-N	-1	0	399.428	3.775	10	5		GHBERM
Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(F)c3)c2)n1	ZINC000122340974	870327774	/nfs/dbraw/zinc/32/77/74/870327774.db2.gz	SDMDICQQOSFXBL-UHFFFAOYSA-N	-1	0	391.380	3.807	10	5		GHBERM
O=C([O-])[C@@H]1CCCN(c2ncnc3scc(-c4cccc([N+](=O)[O-])c4)c32)C1	ZINC000020318846	221482350	/nfs/dbraw/zinc/48/23/50/221482350.db2.gz	RCODUHVKYJKKDN-GFCCVEGCSA-N	-1	0	384.417	3.568	10	5		GHBERM