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-])CNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C2CC2)[nH+]1	ZINC000328979188	444432544	/nfs/dbraw/zinc/43/25/44/444432544.db2.gz	GEDQFHGDKQKYPA-UHFFFAOYSA-N	0	2	347.306	1.485	40	5		EDBBLN
CSc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000225805994	242044574	/nfs/dbraw/zinc/04/45/74/242044574.db2.gz	HEKINNCAZSFRRH-UHFFFAOYSA-N	0	2	332.388	1.969	40	5		EDBBLN
CO[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@]1(O)C[N+](=O)[O-]	ZINC000001674543	201516058	/nfs/dbraw/zinc/51/60/58/201516058.db2.gz	PBZFEPNRSHWVMA-DLBZAZTESA-N	0	2	329.308	1.769	40	5		EDBBLN
CCc1nnc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)s1	ZINC000005249421	440943443	/nfs/dbraw/zinc/94/34/43/440943443.db2.gz	CQJSUZHNIPXWPT-UHFFFAOYSA-N	0	2	332.338	1.949	40	5		EDBBLN
COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(OC)c1OC	ZINC000006145695	440982361	/nfs/dbraw/zinc/98/23/61/440982361.db2.gz	XLCVQBMKKZZSRI-GQCTYLIASA-N	0	2	349.299	1.168	40	5		EDBBLN
CCC(=O)OCCn1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)nc1-2	ZINC000001712550	440851511	/nfs/dbraw/zinc/85/15/11/440851511.db2.gz	ULFXAHIPUASXNF-UHFFFAOYSA-N	0	2	342.355	1.155	40	5		EDBBLN
COc1c(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cccc1[N+](=O)[O-]	ZINC000033646608	441596126	/nfs/dbraw/zinc/59/61/26/441596126.db2.gz	CRFOTKVCVTWFIA-AATRIKPKSA-N	0	2	334.244	1.471	40	5		EDBBLN
CSc1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000041017582	441630218	/nfs/dbraw/zinc/63/02/18/441630218.db2.gz	XAHKZJSBRLEKFV-UHFFFAOYSA-N	0	2	332.388	1.969	40	5		EDBBLN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Cl)c1O	ZINC000004853168	210300555	/nfs/dbraw/zinc/30/05/55/210300555.db2.gz	MEAVAMUVFRXTAX-NSCUHMNNSA-N	0	2	339.691	1.922	40	5		EDBBLN
Cc1c(Nc2cc(C3CC3)[nH+]c(NCC(=O)[O-])n2)cccc1[N+](=O)[O-]	ZINC000329003444	444441843	/nfs/dbraw/zinc/44/18/43/444441843.db2.gz	KNJGZBZRKMNKEV-UHFFFAOYSA-N	0	2	343.343	1.655	40	5		EDBBLN
COc1ccc([N+](=O)[O-])cc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000409312159	447683277	/nfs/dbraw/zinc/68/32/77/447683277.db2.gz	JSVWCGXBYPDHDJ-RQOWECAXSA-N	0	2	334.244	1.883	40	5		EDBBLN
CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC	ZINC000005906355	440973129	/nfs/dbraw/zinc/97/31/29/440973129.db2.gz	QMOUSJIWVAWPNM-GQCTYLIASA-N	0	2	333.300	1.961	40	5		EDBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc([N+](=O)[O-])ccc2Cl)[nH]1	ZINC000006480346	440994156	/nfs/dbraw/zinc/99/41/56/440994156.db2.gz	DEGWDONXGPSEFU-DAFODLJHSA-N	0	2	338.663	1.703	40	5		EDBBLN
CSc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000041017645	441630264	/nfs/dbraw/zinc/63/02/64/441630264.db2.gz	AQWKTNNTZRIJBV-UHFFFAOYSA-N	0	2	332.388	1.969	40	5		EDBBLN
NC(=O)c1ccc(Sc2nc(C(F)(F)F)n[nH]2)c([N+](=O)[O-])c1	ZINC000078406773	217049113	/nfs/dbraw/zinc/04/91/13/217049113.db2.gz	YMWLFNOODAWWOI-UHFFFAOYSA-N	0	2	333.251	1.982	40	5		EDBBLN
O=c1nc2oc3ccc(I)cc3cc-2c(=O)[nH]1	ZINC000005323333	304819595	/nfs/dbraw/zinc/81/95/95/304819595.db2.gz	ADRWALDNHGHIGG-UHFFFAOYSA-N	0	2	340.076	1.586	40	5		EDBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(/C=C/c2cc3ccccc3oc2=O)[nH]1	ZINC000006496494	440994445	/nfs/dbraw/zinc/99/44/45/440994445.db2.gz	XNBJSYMPFDLURM-AATRIKPKSA-N	0	2	327.252	1.248	40	5		EDBBLN
NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C(F)(F)F)n[nH]1	ZINC000078406795	217049275	/nfs/dbraw/zinc/04/92/75/217049275.db2.gz	CKQTUDZIBXWULH-UHFFFAOYSA-N	0	2	333.251	1.982	40	5		EDBBLN
CO[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@]1(O)C[N+](=O)[O-]	ZINC000001674541	209779618	/nfs/dbraw/zinc/77/96/18/209779618.db2.gz	PBZFEPNRSHWVMA-IAGOWNOFSA-N	0	2	329.308	1.769	40	5		EDBBLN
CCOc1c(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cccc1OC	ZINC000033461905	441595507	/nfs/dbraw/zinc/59/55/07/441595507.db2.gz	JNHCXUDUMVKARB-FPLPWBNLSA-N	0	2	333.300	1.961	40	5		EDBBLN
CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC	ZINC000033458942	441595657	/nfs/dbraw/zinc/59/56/57/441595657.db2.gz	QMOUSJIWVAWPNM-XQRVVYSFSA-N	0	2	333.300	1.961	40	5		EDBBLN
C[C@H](NC(=O)c1c(O)[nH]c(=S)[nH]c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000008665837	441097198	/nfs/dbraw/zinc/09/71/98/441097198.db2.gz	RZWVAQLXSOVABQ-LURJTMIESA-N	0	2	336.329	1.537	40	5		EDBBLN