smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nnc(S/C(=C\c2cc([N+](=O)[O-])ccc2[O-])C(=O)[O-])o1	ZINC000038276282	354167183	/nfs/dbraw/zinc/16/71/83/354167183.db2.gz	UZKSLPVHYDUGGA-YHYXMXQVSA-N	-2	0	323.286	2.210	40	5		DEBBRL
Cc1nc2c(N)c3nc(C)c(C(=O)[O-])cc3cc2cc1C(=O)[O-]	ZINC000003845543	302646751	/nfs/dbraw/zinc/64/67/51/302646751.db2.gz	REWVEELEXJWKEV-UHFFFAOYSA-N	-2	0	311.297	2.378	40	5		DEBBRL
O=C([O-])CSC(SCC(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000001685028	304071913	/nfs/dbraw/zinc/07/19/13/304071913.db2.gz	NVILBUYUXVGODV-UHFFFAOYSA-N	-2	0	317.344	2.229	40	5		DEBBRL
COC(=O)c1cc([O-])cc2oc3cc(C)cc(=O)c-3c([O-])c21	ZINC000013335396	401798759	/nfs/dbraw/zinc/79/87/59/401798759.db2.gz	MJOGVUMPZLEYIH-UHFFFAOYSA-N	-2	0	300.266	2.452	40	5	biogenic,in-vitro	DEBBRL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000003148990	401722104	/nfs/dbraw/zinc/72/21/04/401722104.db2.gz	VEKAWWUDVIPVQQ-UHFFFAOYSA-N	-2	0	322.298	2.094	40	5		DEBBRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000003148994	401722006	/nfs/dbraw/zinc/72/20/06/401722006.db2.gz	XHNVKWYLYSJFKB-UHFFFAOYSA-N	-2	0	322.298	2.094	40	5		DEBBRL
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000028497950	401852308	/nfs/dbraw/zinc/85/23/08/401852308.db2.gz	MKYCCWWJKMFHJH-UHFFFAOYSA-N	-2	0	322.298	2.094	40	5		DEBBRL
Cn1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c2ccccc21	ZINC000009273433	401760409	/nfs/dbraw/zinc/76/04/09/401760409.db2.gz	DPGUJUVABCSAOV-VOTSOKGWSA-N	-2	0	312.285	2.046	40	5		DEBBRL