smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C(Cc1nc2ccccc2[nH]c1=O)C(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000008653535	523597844	/nfs/dbraw/zinc/59/78/44/523597844.db2.gz	LVEIKMXYLWMYPH-LBPRGKRZSA-N	0	3	454.395	1.379	40	5		JDBBHN
O=C(CNCCCN1CCOCC1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004983425	526880946	/nfs/dbraw/zinc/88/09/46/526880946.db2.gz	SWPIYFIEBGELQK-UHFFFAOYSA-N	0	3	462.528	1.678	40	5		JDBBHN
COC(=O)C(Cc1nc2ccccc2[nH]c1=O)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000017211593	556241739	/nfs/dbraw/zinc/24/17/39/556241739.db2.gz	NOXQZKBPFDABGM-NSHDSACASA-N	0	3	469.366	1.279	40	5		JDBBHN
COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000010111579	555622921	/nfs/dbraw/zinc/62/29/21/555622921.db2.gz	FUJARZGULTUGSH-UHFFFAOYSA-N	0	3	450.517	1.785	40	5		JDBBHN
COC(=O)C(Cc1nc2ccccc2[nH]c1=O)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008659593	523911619	/nfs/dbraw/zinc/91/16/19/523911619.db2.gz	NOXQZKBPFDABGM-LLVKDONJSA-N	0	3	469.366	1.279	40	5		JDBBHN
C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000015721838	555956278	/nfs/dbraw/zinc/95/62/78/555956278.db2.gz	VCIGBDVGAFWEAH-YSSFQJQWSA-N	0	3	453.499	1.599	40	5		JDBBHN
CN1CCN(CCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1	ZINC000022913959	555968890	/nfs/dbraw/zinc/96/88/90/555968890.db2.gz	OMXBFURLYXIWDZ-UHFFFAOYSA-N	0	3	475.571	1.544	40	5		JDBBHN
COC(=O)C(Cc1nc2ccccc2[nH]c1=O)C(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000016957679	556188914	/nfs/dbraw/zinc/18/89/14/556188914.db2.gz	LVEIKMXYLWMYPH-GFCCVEGCSA-N	0	3	454.395	1.379	40	5		JDBBHN
CN1CCN(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1	ZINC000022913952	555968928	/nfs/dbraw/zinc/96/89/28/555968928.db2.gz	MWHBKOCMTMOITG-UHFFFAOYSA-N	0	3	475.571	1.544	40	5		JDBBHN