smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c([O-])cc(C=O)cc1[N+](=O)[O-]	1680888	168228081	/nfs/dbraw/zinc/22/80/81/168228081.db2.gz	PYLFOUFNUBQBGP-UHFFFAOYSA-N	-1	1	197.146	1.122	40	5		ADBBMM
COc1cc(F)c([O-])cc1[N+](=O)[O-]	97447146	168234969	/nfs/dbraw/zinc/23/49/69/168234969.db2.gz	SXZSQIXPQLCSRV-UHFFFAOYSA-N	-1	1	187.126	1.448	40	5		ADBBMM
COc1ccc([N+](=O)[O-])c(C=O)c1[O-]	1621363	168260363	/nfs/dbraw/zinc/26/03/63/168260363.db2.gz	LPUYRRFGCOZEEK-UHFFFAOYSA-N	-1	1	197.146	1.122	40	5		ADBBMM
O=[N+]([O-])c1ccc2c([O-])coc2c1	85224960	169379770	/nfs/dbraw/zinc/37/97/70/169379770.db2.gz	KMBLVVQMNJHGKK-UHFFFAOYSA-N	-1	1	179.131	1.170	40	5		ADBBMM
O=[N+]([O-])c1cc([O-])c2cc[nH]c2c1	14983766	171029004	/nfs/dbraw/zinc/02/90/04/171029004.db2.gz	VJCZTHNTMMDCLZ-UHFFFAOYSA-N	-1	1	178.147	1.782	40	5	in-vitro	ADBBMM
O=[N+]([O-])c1cc([O-])cc2[nH]ccc12	14983758	171029299	/nfs/dbraw/zinc/02/92/99/171029299.db2.gz	CCJJYGLOGKCYMA-UHFFFAOYSA-N	-1	1	178.147	1.782	40	5	in-vitro	ADBBMM
O=[N+]([O-])c1c(Cl)ccc2n[n-]nc12	38338980	171069220	/nfs/dbraw/zinc/06/92/20/171069220.db2.gz	SPJKEMVEHGCBBF-UHFFFAOYSA-N	-1	1	198.569	1.520	40	5		ADBBMM
CCC(=O)c1ccc([N+](=O)[O-])cc1[O-]	158050	342929402	/nfs/dbraw/zinc/92/94/02/342929402.db2.gz	CEAXNFJPAALGRT-UHFFFAOYSA-N	-1	1	195.174	1.893	40	5		ADBBMM
Cc1cc([N+](=O)[O-])c(O)cc1C(=O)[O-]	39084450	343197242	/nfs/dbraw/zinc/19/72/42/343197242.db2.gz	GTPHIVGERSJEOD-UHFFFAOYSA-N	-1	1	197.146	1.307	40	5		ADBBMM
CCc1cc(N)c([O-])c([N+](=O)[O-])c1	73642791	343571023	/nfs/dbraw/zinc/57/10/23/343571023.db2.gz	YVABZNRBGQKYTP-UHFFFAOYSA-N	-1	1	182.179	1.445	40	5		ADBBMM
Cc1cc([N+](=O)[O-])cc(CO)c1[O-]	216719412	344399329	/nfs/dbraw/zinc/39/93/29/344399329.db2.gz	DYLMRFAJIPDFJZ-UHFFFAOYSA-N	-1	1	183.163	1.101	40	5		ADBBMM
O=[N+]([O-])c1cnc2cccnc2c1[O-]	71256022	351609766	/nfs/dbraw/zinc/60/97/66/351609766.db2.gz	BPZZDZZOBAZEPJ-UHFFFAOYSA-N	-1	1	191.146	1.244	40	5		ADBBMM
O=[N+]([O-])c1ccc(O)c(F)c1[O-]	98210999	351685554	/nfs/dbraw/zinc/68/55/54/351685554.db2.gz	KMVJRTZDSFJDSR-UHFFFAOYSA-N	-1	1	173.099	1.145	40	5		ADBBMM
Nc1c([O-])cc(F)cc1[N+](=O)[O-]	575726546	352904330	/nfs/dbraw/zinc/90/43/30/352904330.db2.gz	RJMMOVUNKUMESI-UHFFFAOYSA-N	-1	1	172.115	1.022	40	5		ADBBMM