smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nnc2n1C(=O)C(C(C(=O)c1cccc([N+](=O)[O-])c1Cl)=c1[n-]c3nnc(N)n3c1=O)=N2	ZINC000008655120	527579566	/nfs/dbraw/zinc/57/95/66/527579566.db2.gz	QDSGXJWFWUJLDI-UHFFFAOYSA-N	-1	3	469.765	0.248	40	5		JCBBHM
COc1ccc(S(=O)(=O)[N-]CC(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000016215649	525055511	/nfs/dbraw/zinc/05/55/11/525055511.db2.gz	RCCRWLRPOVZMAN-UHFFFAOYSA-N	-1	3	482.427	0.650	40	5		JCBBHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	ZINC000022610412	526858998	/nfs/dbraw/zinc/85/89/98/526858998.db2.gz	OUMHOSKBCOOBGB-CYBMUJFWSA-N	-1	3	455.431	0.444	40	5		JCBBHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	ZINC000022610414	526859579	/nfs/dbraw/zinc/85/95/79/526859579.db2.gz	OUMHOSKBCOOBGB-ZDUSSCGKSA-N	-1	3	455.431	0.444	40	5		JCBBHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000022610439	526859213	/nfs/dbraw/zinc/85/92/13/526859213.db2.gz	DWDPEHRKUFVDOF-CYBMUJFWSA-N	-1	3	455.431	0.444	40	5		JCBBHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000022610441	526859964	/nfs/dbraw/zinc/85/99/64/526859964.db2.gz	DWDPEHRKUFVDOF-ZDUSSCGKSA-N	-1	3	455.431	0.444	40	5		JCBBHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	ZINC000022610474	526859265	/nfs/dbraw/zinc/85/92/65/526859265.db2.gz	BBKXYQRUDNROKJ-LLVKDONJSA-N	-1	3	455.431	0.444	40	5		JCBBHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	ZINC000022610476	526859428	/nfs/dbraw/zinc/85/94/28/526859428.db2.gz	BBKXYQRUDNROKJ-NSHDSACASA-N	-1	3	455.431	0.444	40	5		JCBBHM
Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1[N+](=O)[O-]	ZINC000022610486	525199551	/nfs/dbraw/zinc/19/95/51/525199551.db2.gz	XBSOSIQBHPYFIH-CYBMUJFWSA-N	-1	3	469.458	0.753	40	5		JCBBHM
Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1[N+](=O)[O-]	ZINC000022610488	525219313	/nfs/dbraw/zinc/21/93/13/525219313.db2.gz	XBSOSIQBHPYFIH-ZDUSSCGKSA-N	-1	3	469.458	0.753	40	5		JCBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21	ZINC000022610520	526082976	/nfs/dbraw/zinc/08/29/76/526082976.db2.gz	ZKHFQGYRPIUEEX-CYBMUJFWSA-N	-1	3	469.458	0.753	40	5		JCBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21	ZINC000022610523	526082616	/nfs/dbraw/zinc/08/26/16/526082616.db2.gz	ZKHFQGYRPIUEEX-ZDUSSCGKSA-N	-1	3	469.458	0.753	40	5		JCBBHM
Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21	ZINC000038828097	569808133	/nfs/dbraw/zinc/80/81/33/569808133.db2.gz	WFGMUBUIOWKAPH-CYBMUJFWSA-N	-1	3	469.458	0.753	40	5		JCBBHM
Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21	ZINC000038828098	569807966	/nfs/dbraw/zinc/80/79/66/569807966.db2.gz	WFGMUBUIOWKAPH-ZDUSSCGKSA-N	-1	3	469.458	0.753	40	5		JCBBHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000224454433	569944994	/nfs/dbraw/zinc/94/49/94/569944994.db2.gz	LWJTXLMUBTYXBO-UHFFFAOYSA-N	-1	3	471.513	0.973	40	5		JCBBHM