smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(-c2ccccc2)[nH]c2c1c([N+](=O)[O-])ccc2[O-]	ZINC000072113422	176318194	/nfs/dbraw/zinc/31/81/94/176318194.db2.gz	NNQIJCZMEQCVIB-UHFFFAOYSA-N	-1	0	268.272	3.757	1	5		CHBFRM
O=C([O-])c1cccc2sc3cc(Cl)ccc3c(=O)c21	ZINC000036382285	172628093	/nfs/dbraw/zinc/62/80/93/172628093.db2.gz	JFMRVVRXIHFIJO-UHFFFAOYSA-N	-1	0	290.727	3.766	3	5		CHBFRM
Cc1c(-c2ccccc2)[nH]c2c1c([O-])ccc2[N+](=O)[O-]	ZINC000072112739	176317721	/nfs/dbraw/zinc/31/77/21/176317721.db2.gz	DDMAJPRNEXYVJM-UHFFFAOYSA-N	-1	0	268.272	3.757	1	5		CHBFRM
Cc1cccc(-c2ccc([N+](=O)[O-])c3[nH]c(C(=O)[O-])cc32)c1	ZINC000103242923	185818985	/nfs/dbraw/zinc/81/89/85/185818985.db2.gz	HIMLLYLUWXSMHJ-UHFFFAOYSA-N	-1	0	296.282	3.750	1	5		CHBFRM
O=C([O-])c1cc(=O)c2c3c(ccc2[nH]1)sc1ccccc13	ZINC000149041270	187920302	/nfs/dbraw/zinc/92/03/02/187920302.db2.gz	IPJTYUKFRVNJCL-UHFFFAOYSA-N	-1	0	295.319	3.594	1	5		CHBFRM
O=C([O-])c1cccc2c1[nH]c1c3cc([N+](=O)[O-])ccc3oc21	ZINC000026181990	171475316	/nfs/dbraw/zinc/47/53/16/171475316.db2.gz	PXAFFCCAYUWRBD-UHFFFAOYSA-N	-1	0	296.238	3.674	1	5		CHBFRM
O=C([O-])c1cccc2c1[nH]c1c3ccccc3oc21	ZINC000026176778	171475034	/nfs/dbraw/zinc/47/50/34/171475034.db2.gz	WKBIIOXVKZNDPK-UHFFFAOYSA-N	-1	0	251.241	3.766	1	5		CHBFRM
Cn1c2ccccc2c2ccc3cc(C(=O)[O-])c(O)cc3c21	ZINC000040421890	174257748	/nfs/dbraw/zinc/25/77/48/174257748.db2.gz	DAYWTAHLWJTMOD-UHFFFAOYSA-N	-1	0	291.306	3.889	1	5		CHBFRM
CCc1ccc2c(c1)oc1c2c(=O)oc2cc([O-])ccc12	ZINC000070454271	560048475	/nfs/dbraw/zinc/04/84/75/560048475.db2.gz	GVGJFWYVWMIWMP-UHFFFAOYSA-N	-1	0	280.279	3.960	1	5	biogenic,in-vitro	CHBFRM
CCc1c2cc(CC(C)C)cc([N+](=O)[O-])c2[nH]c1C(=O)[O-]	ZINC000103242890	185819055	/nfs/dbraw/zinc/81/90/55/185819055.db2.gz	JYGIXLKTYDBWLP-UHFFFAOYSA-N	-1	0	290.319	3.535	1	5		CHBFRM