smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)CC2	ZINC000498296091	1122690242	/nfs/dbraw/zinc/69/02/42/1122690242.db2.gz	MJKLURPCEAOUHG-FMIVXFBMSA-N	-2	0	362.341	4.034	20	5		FIBDRL
O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)CC2	ZINC000498296092	1122690097	/nfs/dbraw/zinc/69/00/97/1122690097.db2.gz	MJKLURPCEAOUHG-XFXZXTDPSA-N	-2	0	362.341	4.034	20	5		FIBDRL
O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)CC2	ZINC000436795460	1099327538	/nfs/dbraw/zinc/32/75/38/1099327538.db2.gz	FUNPFYPGYUAOTQ-XFXZXTDPSA-N	-2	0	362.341	4.034	20	5		FIBDRL
O=[N+]([O-])c1cc(Nc2c([O-])c(Br)ccc2Cl)ccc1[O-]	ZINC001210398956	1081358291	/nfs/dbraw/zinc/35/82/91/1081358291.db2.gz	LKKUGMZZUXUHOD-UHFFFAOYSA-N	-2	0	359.563	4.166	20	5		FIBDRL
O=C([O-])CC/C(=C\c1cc([O-])ccc1[N+](=O)[O-])c1nc2ccccc2s1	ZINC000433804552	1094114989	/nfs/dbraw/zinc/11/49/89/1094114989.db2.gz	ZLKAGHSZEQSYGD-PKNBQFBNSA-N	-2	0	370.386	4.316	20	5		FIBDRL
O=C([O-])CC/C(=C/c1cc([O-])ccc1[N+](=O)[O-])c1nc2ccccc2s1	ZINC000433804548	1094115082	/nfs/dbraw/zinc/11/50/82/1094115082.db2.gz	ZLKAGHSZEQSYGD-LUAWRHEFSA-N	-2	0	370.386	4.316	20	5		FIBDRL
O=C([O-])CC/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)c1nc2ccccc2s1	ZINC000498296507	1122689633	/nfs/dbraw/zinc/68/96/33/1122689633.db2.gz	RBHZOLZQCXILDN-FMIVXFBMSA-N	-2	0	370.386	4.316	20	5		FIBDRL
O=C([O-])CC/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)c1nc2ccccc2s1	ZINC000213146059	1116322205	/nfs/dbraw/zinc/32/22/05/1116322205.db2.gz	IREMFGGWDOLQKQ-XFXZXTDPSA-N	-2	0	370.386	4.316	20	5		FIBDRL
O=C([O-])CC/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)c1nc2ccccc2s1	ZINC000498296508	1122689512	/nfs/dbraw/zinc/68/95/12/1122689512.db2.gz	RBHZOLZQCXILDN-XFXZXTDPSA-N	-2	0	370.386	4.316	20	5		FIBDRL
O=C([O-])CC/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)c1nc2ccccc2s1	ZINC000006429755	1102210431	/nfs/dbraw/zinc/21/04/31/1102210431.db2.gz	IREMFGGWDOLQKQ-FMIVXFBMSA-N	-2	0	370.386	4.316	20	5		FIBDRL