smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c([N+](=O)[O-])c([O-])c1C(=O)[O-]	687728642	571908899	/nfs/dbraw/zinc/90/88/99/571908899.db2.gz	VTLCWMJRUJZWJK-UHFFFAOYSA-N	-2	0	186.123	0.635	10	5		ACBERL
NC(=O)c1ccc([O-])c([N+](=O)[O-])c1[O-]	687759135	571960513	/nfs/dbraw/zinc/96/05/13/571960513.db2.gz	IFBULXHLHKNZQW-UHFFFAOYSA-N	-2	0	198.134	0.105	10	5		ACBERL
O=[N+]([O-])c1ccc([O-])c2c([O-])coc12	714110586	572615927	/nfs/dbraw/zinc/61/59/27/572615927.db2.gz	WJQSGAYZSFAORM-UHFFFAOYSA-N	-2	0	195.130	0.876	10	5		ACBERL
O=C1COc2cc([N+](=O)[O-])c([O-])cc21	714118949	572652902	/nfs/dbraw/zinc/65/29/02/572652902.db2.gz	FNMGKYJCHBHEFM-UHFFFAOYSA-N	-2	0	195.130	0.876	10	5		ACBERL
O=[N+]([O-])c1c([O-])ccc2occ([O-])c12	714119160	572654289	/nfs/dbraw/zinc/65/42/89/572654289.db2.gz	YHZSKPWQEONSSY-UHFFFAOYSA-N	-2	0	195.130	0.876	10	5		ACBERL
COc1nc(C(=O)[O-])c([N+](=O)[O-])[n-]1	34500518	168282661	/nfs/dbraw/zinc/28/26/61/168282661.db2.gz	BUQKXXSUOLLLPC-UHFFFAOYSA-N	-2	0	187.111	0.025	10	5		ACBERL
O=C([O-])Cc1cccc([N+](=O)[O-])c1[O-]	34413936	169344078	/nfs/dbraw/zinc/34/40/78/169344078.db2.gz	QLVXBCLXWFNMKW-UHFFFAOYSA-N	-2	0	197.146	0.928	10	5		ACBERL
O=C([O-])c1c(O)ccc([N+](=O)[O-])c1[O-]	38325262	169356025	/nfs/dbraw/zinc/35/60/25/169356025.db2.gz	ALIBUAQOBPFPFJ-UHFFFAOYSA-N	-2	0	199.118	0.704	10	5		ACBERL
O=C([O-])c1cc([N+](=O)[O-])[n-]c(=O)c1	95766127	169356192	/nfs/dbraw/zinc/35/61/92/169356192.db2.gz	FCMPQFZPRNXCPT-UHFFFAOYSA-N	-2	0	184.107	0.394	10	5		ACBERL
O=C([O-])c1cc(=O)cc([N+](=O)[O-])[n-]1	95765879	169357030	/nfs/dbraw/zinc/35/70/30/169357030.db2.gz	YGOXLXJBBOCDQZ-UHFFFAOYSA-N	-2	0	184.107	0.394	10	5		ACBERL
O=C([O-])Cc1cc(=O)cc([N+](=O)[O-])[n-]1	95767171	171138883	/nfs/dbraw/zinc/13/88/83/171138883.db2.gz	CRQPTBYCMVEKOF-UHFFFAOYSA-N	-2	0	198.134	0.323	10	5		ACBERL
O=C([O-])Cc1cc([N+](=O)[O-])[n-]c(=O)c1	95767499	171138979	/nfs/dbraw/zinc/13/89/79/171138979.db2.gz	KUTRSUZMBDETPF-UHFFFAOYSA-N	-2	0	198.134	0.323	10	5		ACBERL
O=C([O-])Cc1cccc([O-])c1[N+](=O)[O-]	144300466	344025770	/nfs/dbraw/zinc/02/57/70/344025770.db2.gz	GVSCADNDKYBTNW-UHFFFAOYSA-N	-2	0	197.146	0.928	10	5		ACBERL
O=C([O-])Cc1cnc([N+](=O)[O-])c([O-])c1	238606552	344815386	/nfs/dbraw/zinc/81/53/86/344815386.db2.gz	HBKMANPVGSQSGS-UHFFFAOYSA-N	-2	0	198.134	0.323	10	5		ACBERL
O=C([O-])c1cc([N+](=O)[O-])ncc1O	300770683	344994531	/nfs/dbraw/zinc/99/45/31/344994531.db2.gz	PQNKCGZLGCDXNH-UHFFFAOYSA-N	-2	0	184.107	0.394	10	5		ACBERL
O=[N+]([O-])c1c([O-])[nH]ccc1=S	575471271	352286171	/nfs/dbraw/zinc/28/61/71/352286171.db2.gz	NYOOSZILXPSRLS-UHFFFAOYSA-N	-2	0	172.165	0.984	10	5		ACBERL
Nc1c(C(=O)[O-])ccc([O-])c1[N+](=O)[O-]	575718549	352897905	/nfs/dbraw/zinc/89/79/05/352897905.db2.gz	DRXSZJHZZZMNNH-UHFFFAOYSA-N	-2	0	198.134	0.581	10	5		ACBERL
Nc1cc([O-])c([N+](=O)[O-])c(C(=O)[O-])c1	575718870	352899473	/nfs/dbraw/zinc/89/94/73/352899473.db2.gz	IWYPTMITHABPHC-UHFFFAOYSA-N	-2	0	198.134	0.581	10	5		ACBERL
Nc1cc(C(=O)[O-])cc([O-])c1[N+](=O)[O-]	575719188	352900155	/nfs/dbraw/zinc/90/01/55/352900155.db2.gz	ORLBQYGEMAPDPP-UHFFFAOYSA-N	-2	0	198.134	0.581	10	5		ACBERL