smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000005579312	484154989	/nfs/dbraw/zinc/15/49/89/484154989.db2.gz	CTLJHLYIILERNX-UHFFFAOYSA-N	-1	0	365.374	-0.106	40	5		FBBBRM
Cn1c(=O)c2c3n(c(=O)c4c([O-])cc(=O)oc24)-c2ccccc2-n3c1=O	ZINC000006494325	207142279	/nfs/dbraw/zinc/14/22/79/207142279.db2.gz	XJOJGJMOBLYBGG-UHFFFAOYSA-N	-1	0	351.274	-0.034	40	5		FBBBRM
O=c1[n-]/c(=C/c2ccc([N+](=O)[O-])o2)c(=O)[nH]/c1=C/c1ccc([N+](=O)[O-])o1	ZINC000016430397	484605288	/nfs/dbraw/zinc/60/52/88/484605288.db2.gz	VXRKEAQZQIFGCN-NXZHAISVSA-N	-1	0	360.238	-0.277	40	5		FBBBRM
COC(=O)C(=O)C(C(=O)OC)=C([O-])C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000101096713	222261868	/nfs/dbraw/zinc/26/18/68/222261868.db2.gz	NEWZCRLXURYSLJ-JTQLQIEISA-N	-1	0	366.282	-0.058	40	5		FBBBRM
COC(=O)C(=O)C(C(=O)OC)=C([O-])C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000101096716	222262140	/nfs/dbraw/zinc/26/21/40/222262140.db2.gz	NEWZCRLXURYSLJ-SNVBAGLBSA-N	-1	0	366.282	-0.058	40	5		FBBBRM
CC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(C)c(C)cc2nc2c(=O)[n-]c(=O)nc1-2	ZINC000149168378	484320192	/nfs/dbraw/zinc/32/01/92/484320192.db2.gz	MLGAESBBTVWVND-VNHYZAJKSA-N	-1	0	374.397	-0.306	40	5		FBBBRM
O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCN(CCO)CC1	ZINC000256048845	484753002	/nfs/dbraw/zinc/75/30/02/484753002.db2.gz	WPHUYONSEOEFGW-UHFFFAOYSA-N	-1	0	362.346	-0.012	40	5		FBBBRM
O=C([O-])c1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCN(CCO)CC1	ZINC000256048888	484753122	/nfs/dbraw/zinc/75/31/22/484753122.db2.gz	WWQWKFZLEMTXSH-UHFFFAOYSA-N	-1	0	362.346	-0.012	40	5		FBBBRM
O=C([O-])c1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCN(CCO)CC1	ZINC000256049194	484752774	/nfs/dbraw/zinc/75/27/74/484752774.db2.gz	YUAFJGXAUQKBAB-UHFFFAOYSA-N	-1	0	362.346	-0.012	40	5		FBBBRM