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)c1nc([N+](=O)[O-])n[nH]1	1574152	168137401	/nfs/dbraw/zinc/13/74/01/168137401.db2.gz	YYOJQHLOAOGWKJ-UHFFFAOYSA-N	0	2	172.100	-0.501	50	5		ABBALN
COc1ncc([N+](=O)[O-])c(NN)n1	5275115	168286601	/nfs/dbraw/zinc/28/66/01/168286601.db2.gz	GCJZIZNABKPEAE-UHFFFAOYSA-N	0	2	185.143	-0.321	50	5		ABBALN
NNc1ncc([N+](=O)[O-])c(N)n1	37737500	169238419	/nfs/dbraw/zinc/23/84/19/169238419.db2.gz	XDGPTSQRMQYKPB-UHFFFAOYSA-N	0	2	170.132	-0.747	50	5		ABBALN
O=c1[nH]cc([N+](=O)[O-])c(=O)[nH]1	967347	169416784	/nfs/dbraw/zinc/41/67/84/169416784.db2.gz	TUARVSWVPPVUGS-UHFFFAOYSA-N	0	2	157.085	-0.616	50	5	in-vitro	ABBALN
O=c1c([N+](=O)[O-])cnc2[nH]cnn12	1295901	342944116	/nfs/dbraw/zinc/94/41/16/342944116.db2.gz	YJNXLKSCDFHLLQ-UHFFFAOYSA-N	0	2	181.111	-0.674	50	5		ABBALN
O=[N+]([O-])c1c[n+]([O-])ccc1O	1673494	342956819	/nfs/dbraw/zinc/95/68/19/342956819.db2.gz	GFWANJBZRUUAPA-UHFFFAOYSA-N	0	2	156.097	-0.066	50	5	in-vitro	ABBALN
Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	3898526	342986051	/nfs/dbraw/zinc/98/60/51/342986051.db2.gz	LIVYMRJSNFHYEN-UHFFFAOYSA-N	0	2	171.112	-0.720	50	5	in-vitro	ABBALN
Cc1nc2[nH]cnn2c(=O)c1[N+](=O)[O-]	100020031	343708965	/nfs/dbraw/zinc/70/89/65/343708965.db2.gz	VUZRUCMCZNGSSM-UHFFFAOYSA-N	0	2	195.138	-0.366	50	5		ABBALN