smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cnc([N+](=O)[O-])c1S([O-])=CC(N)=O	ZINC000002116304	134806914	/nfs/dbraw/zinc/80/69/14/134806914.db2.gz	XWACOKOINUIOGJ-HNNXBMFYSA-N	-1	0	232.221	-1.079	50	5		BABARM
Cn1c2nc([N+](=O)[O-])[n-]c2c(=O)[nH]c1=O	ZINC000002273129	342718036	/nfs/dbraw/zinc/71/80/36/342718036.db2.gz	CUKVQGUXYGJJJX-UHFFFAOYSA-N	-1	0	211.137	-1.142	50	5		BABARM
Cn1cnc([N+](=O)[O-])c1S([O-])=CC(N)=O	ZINC000003984007	527491727	/nfs/dbraw/zinc/49/17/27/527491727.db2.gz	XWACOKOINUIOGJ-OAHLLOKOSA-N	-1	0	232.221	-1.079	50	5		BABARM
Cn1c([O-])c([N+](=O)[O-])c(NN)nc1=O	ZINC000004085843	372130888	/nfs/dbraw/zinc/13/08/88/372130888.db2.gz	BCJGIQAKIWGFKN-UHFFFAOYSA-N	-1	0	201.142	-1.733	50	5		BABARM
Nc1nc(NCCO)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004085846	386755008	/nfs/dbraw/zinc/75/50/08/386755008.db2.gz	DWVWFCGZWXPWFF-UHFFFAOYSA-N	-1	0	215.169	-1.336	50	5		BABARM
Cn1c(C(=O)[O-])c([N+](=O)[O-])c(=O)n(C)c1=O	ZINC000016363581	357156608	/nfs/dbraw/zinc/15/66/08/357156608.db2.gz	LZXWYWVYAZFFOO-UHFFFAOYSA-N	-1	0	229.148	-1.310	50	5		BABARM
Cn1c(=O)[nH]c(NCCCO)c([N+](=O)[O-])c1=O	ZINC000036406050	368376210	/nfs/dbraw/zinc/37/62/10/368376210.db2.gz	SNFFCFYGCZVKME-UHFFFAOYSA-N	-1	0	244.207	-1.224	50	5		BABARM
Cn1c2nc([N+](=O)[O-])[n-]c2c(=O)n(C)c1=O	ZINC000100042632	384613323	/nfs/dbraw/zinc/61/33/23/384613323.db2.gz	ZWBASWPKNUWUSZ-UHFFFAOYSA-N	-1	0	225.164	-1.132	50	5	in-vitro	BABARM