smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c[nH+]ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C	ZINC000178420184	426626716	/nfs/dbraw/zinc/62/67/16/426626716.db2.gz	CEYHRMRCYKYCDE-UHFFFAOYSA-N	-1	2	321.358	2.716	20	5		DFBDLM
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1	ZINC000339012488	427625720	/nfs/dbraw/zinc/62/57/20/427625720.db2.gz	WFLLWBNJDHWMTF-MRXNPFEDSA-N	-1	2	306.362	2.693	20	5		DFBDLM
Cc1sc(/C=C\c2ccc(O)c([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000436781283	297034026	/nfs/dbraw/zinc/03/40/26/297034026.db2.gz	BLRVGWIUENMOPD-HYXAFXHYSA-N	-1	2	306.299	2.934	20	5		DFBDLM
Cc1sc(/C=C/c2ccc([N+](=O)[O-])c(O)c2)nc1C(=O)[O-]	ZINC000339113514	427680674	/nfs/dbraw/zinc/68/06/74/427680674.db2.gz	DESXKYNXDDMRDE-HWKANZROSA-N	-1	2	306.299	2.934	20	5		DFBDLM
Cc1sc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1[N+](=O)[O-]	ZINC000184612422	427501189	/nfs/dbraw/zinc/50/11/89/427501189.db2.gz	PDIWWPAZGBIITD-UHFFFAOYSA-N	-1	2	307.335	2.603	20	5		DFBDLM
Cc1sc(/C=C/c2ccc(O)c([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000436781281	297033989	/nfs/dbraw/zinc/03/39/89/297033989.db2.gz	BLRVGWIUENMOPD-HWKANZROSA-N	-1	2	306.299	2.934	20	5		DFBDLM
O=C(Nc1cccc(Cl)c1O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000185628008	427681965	/nfs/dbraw/zinc/68/19/65/427681965.db2.gz	ZVSMJRXJINDXNI-UHFFFAOYSA-N	-1	2	308.677	2.912	20	5		DFBDLM
Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1C(=O)[O-]	ZINC000518250389	429415685	/nfs/dbraw/zinc/41/56/85/429415685.db2.gz	CNYOEUNDVGXTRK-UHFFFAOYSA-N	-1	2	316.269	2.559	20	5		DFBDLM
O=C([O-])CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCC1	ZINC000323001054	304043511	/nfs/dbraw/zinc/04/35/11/304043511.db2.gz	CZKDVWWYIIVJQZ-UHFFFAOYSA-N	-1	2	322.317	2.664	20	5		DFBDLM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1C(=O)[O-]	ZINC000577795414	318216857	/nfs/dbraw/zinc/21/68/57/318216857.db2.gz	FDGOYGTUDLURRF-UHFFFAOYSA-N	-1	2	316.269	2.559	20	5		DFBDLM
Cc1sc(/C=C/c2cc(O)ccc2[N+](=O)[O-])nc1C(=O)[O-]	ZINC000352036139	286276088	/nfs/dbraw/zinc/27/60/88/286276088.db2.gz	WMQOOMVPGFQUPB-GORDUTHDSA-N	-1	2	306.299	2.934	20	5		DFBDLM
O=C(Nc1cccc(Cl)c1O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000077012627	398879760	/nfs/dbraw/zinc/87/97/60/398879760.db2.gz	SZWVOYNMJVJXPD-UHFFFAOYSA-N	-1	2	308.677	2.912	20	5		DFBDLM
O=C(Nc1cccc(Cl)c1O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000343807927	272223251	/nfs/dbraw/zinc/22/32/51/272223251.db2.gz	NMMMQGBGFRMAEJ-UHFFFAOYSA-N	-1	2	308.677	2.912	20	5		DFBDLM
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@]2(CCCOC2)C1	ZINC000339012486	427625316	/nfs/dbraw/zinc/62/53/16/427625316.db2.gz	WFLLWBNJDHWMTF-INIZCTEOSA-N	-1	2	306.362	2.693	20	5		DFBDLM
O=C([O-])Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000834254677	605570989	/nfs/dbraw/zinc/57/09/89/605570989.db2.gz	BPEXOGMUAYIALC-UHFFFAOYSA-N	-1	2	317.257	2.643	20	5		DFBDLM
O=C([O-])Nc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000834270061	605713584	/nfs/dbraw/zinc/71/35/84/605713584.db2.gz	FWWOZLUEIXWYFN-UHFFFAOYSA-N	-1	2	317.257	2.643	20	5		DFBDLM
Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1	ZINC000595517860	398955158	/nfs/dbraw/zinc/95/51/58/398955158.db2.gz	FYOPUWYTICEPPV-UHFFFAOYSA-N	-1	2	316.361	2.732	20	5		DFBDLM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(F)c(O)c(F)c1	ZINC000186959639	426614048	/nfs/dbraw/zinc/61/40/48/426614048.db2.gz	PCOOHZGMUZVKRL-UHFFFAOYSA-N	-1	2	310.212	2.537	20	5		DFBDLM
Cc1sc(/C=C\c2ccc([N+](=O)[O-])c(O)c2)nc1C(=O)[O-]	ZINC000339113515	268755784	/nfs/dbraw/zinc/75/57/84/268755784.db2.gz	DESXKYNXDDMRDE-HYXAFXHYSA-N	-1	2	306.299	2.934	20	5		DFBDLM
O=C([O-])Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000834265473	605713836	/nfs/dbraw/zinc/71/38/36/605713836.db2.gz	WJLKVXXRPIJKDF-UHFFFAOYSA-N	-1	2	317.257	2.643	20	5		DFBDLM
COc1cc(CNc2ccc(C)[nH+]c2C)c([N+](=O)[O-])cc1O	ZINC000184896754	427559811	/nfs/dbraw/zinc/55/98/11/427559811.db2.gz	KOXJDVVZVDTDMC-UHFFFAOYSA-N	-1	2	303.318	2.933	20	5		DFBDLM
O=C([O-])C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCCC1	ZINC000595986532	399145056	/nfs/dbraw/zinc/14/50/56/399145056.db2.gz	PXBZPWQZIZAAJF-UHFFFAOYSA-N	-1	2	322.317	2.664	20	5		DFBDLM