smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc[n-]c(=NN)c1[N+](=O)[O-]	32914733	343103933	/nfs/dbraw/zinc/10/39/33/343103933.db2.gz	FEMCZZPXKCVKMX-UHFFFAOYSA-N	-1	3	168.156	0.584	40	5		ACBBHM
COc1cc([N+](=O)[O-])cc(CO)c1[O-]	34772797	168241696	/nfs/dbraw/zinc/24/16/96/168241696.db2.gz	JXNDMWLXUVNLHJ-UHFFFAOYSA-N	-1	3	199.162	0.801	40	5		ACBBHM
Cn1cnc([N+](=O)[O-])c1[S-]	1670430	169055593	/nfs/dbraw/zinc/05/55/93/169055593.db2.gz	DPGGDVPPQMXEOF-UHFFFAOYSA-N	-1	3	159.170	0.617	40	5		ACBBHM
Cn1cnc2c(=O)[n-]cc([N+](=O)[O-])c21	13523239	169056080	/nfs/dbraw/zinc/05/60/80/169056080.db2.gz	MGXQJVSCAREJSS-UHFFFAOYSA-N	-1	3	194.150	0.170	40	5		ACBBHM
Cn1nc([N+](=O)[O-])c2c(=O)cc[n-]c21	3852590	169062493	/nfs/dbraw/zinc/06/24/93/169062493.db2.gz	FMADPHQOFCYKJR-UHFFFAOYSA-N	-1	3	194.150	0.170	40	5		ACBBHM
N#C[N-]C(=O)c1cccc([N+](=O)[O-])c1	1708214	169105622	/nfs/dbraw/zinc/10/56/22/169105622.db2.gz	MYCNVQZKNIYPEH-UHFFFAOYSA-N	-1	3	191.146	0.806	40	5		ACBBHM
NCc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	38847235	169222047	/nfs/dbraw/zinc/22/20/47/169222047.db2.gz	KRTYNVCBQRWNMK-UHFFFAOYSA-N	-1	3	196.162	0.752	40	5		ACBBHM
NNc1c([O-])cccc1[N+](=O)[O-]	104571313	169237892	/nfs/dbraw/zinc/23/78/92/169237892.db2.gz	MHYJCKNRFISDHU-UHFFFAOYSA-N	-1	3	169.140	0.586	40	5		ACBBHM
N[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	4204141	169242300	/nfs/dbraw/zinc/24/23/00/169242300.db2.gz	XCVDAQWKJUCVHJ-SSDOTTSWSA-N	-1	3	196.162	0.679	40	5		ACBBHM
N[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	4202368	169262786	/nfs/dbraw/zinc/26/27/86/169262786.db2.gz	XCVDAQWKJUCVHJ-ZETCQYMHSA-N	-1	3	196.162	0.679	40	5		ACBBHM
O=C1[N-]c2cc([N+](=O)[O-])ccc2C1=O	1693815	169389126	/nfs/dbraw/zinc/38/91/26/169389126.db2.gz	FQMOARKYYKXWRB-UHFFFAOYSA-N	-1	3	192.130	0.730	40	5		ACBBHM
O=CNc1ccc([O-])cc1[N+](=O)[O-]	78676091	169399154	/nfs/dbraw/zinc/39/91/54/169399154.db2.gz	FENPZLQWKXNRMT-UHFFFAOYSA-N	-1	3	182.135	0.869	40	5		ACBBHM
Cc1cc([N+](=O)[O-])c(=O)[n-]c1C	17379871	343046946	/nfs/dbraw/zinc/04/69/46/343046946.db2.gz	AAODRZMUIIDRJX-UHFFFAOYSA-N	-1	3	168.152	0.900	40	5	in-vitro	ACBBHM
O=c1cc2[n-]cc([N+](=O)[O-])c2c[nH]1	44713136	343268683	/nfs/dbraw/zinc/26/86/83/343268683.db2.gz	MPYAEBISPZSONX-UHFFFAOYSA-N	-1	3	179.135	0.764	40	5		ACBBHM
Cc1[n-]c(=O)c(C)cc1[N+](=O)[O-]	85224476	343641839	/nfs/dbraw/zinc/64/18/39/343641839.db2.gz	XVHKMNXBHZNDJB-UHFFFAOYSA-N	-1	3	168.152	0.900	40	5		ACBBHM
NN=c1[n-]cc(F)cc1[N+](=O)[O-]	307401956	346019551	/nfs/dbraw/zinc/01/95/51/346019551.db2.gz	BUPKOJIKTFPXLR-UHFFFAOYSA-N	-1	3	172.119	0.415	40	5		ACBBHM
COc1cc([N+](=O)[O-])cc2n[n-]nc12	616567622	347095215	/nfs/dbraw/zinc/09/52/15/347095215.db2.gz	CAMIEXGQDVVBLY-UHFFFAOYSA-N	-1	3	194.150	0.875	40	5		ACBBHM
O=[N+]([O-])c1ccc([O-])n2ccnc12	14000427	351372181	/nfs/dbraw/zinc/37/21/81/351372181.db2.gz	CFDXDPDCKDNXAP-UHFFFAOYSA-N	-1	3	179.135	0.948	40	5		ACBBHM