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-])c1cc2c([nH]1)c([N+](=O)[O-])ccc2Nc1cccc([N+](=O)[O-])c1	ZINC000103244236	204069190	/nfs/dbraw/zinc/06/91/90/204069190.db2.gz	FMCUOKDABPVORH-UHFFFAOYSA-N	-1	0	342.267	3.426	1	5		EGBFRM
O=C1C[C@@H]2CCCC[C@@H]2C(=O)C1=C([O-])c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000103165839	204064367	/nfs/dbraw/zinc/06/43/67/204064367.db2.gz	JWBALIUORUEGAS-ZSGNIPIJSA-N	-1	0	349.770	3.395	1	5		EGBFRM
O=C1C[C@@H]2CCC[C@@H]2C(=O)C1=C([O-])c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000103153720	204064781	/nfs/dbraw/zinc/06/47/81/204064781.db2.gz	JXTCAQSSKPSSLI-QEVYDEPDSA-N	-1	0	335.743	3.005	1	5		EGBFRM
Cc1ccc2c([N+](=O)[O-])cc(C(=O)NCc3ccccc3)c([O-])c2n1	ZINC000040891906	213397042	/nfs/dbraw/zinc/39/70/42/213397042.db2.gz	GNAKHZFGUFUGLK-UHFFFAOYSA-N	-1	0	337.335	3.087	1	5		EGBFRM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1[O-]	ZINC000004896965	210314556	/nfs/dbraw/zinc/31/45/56/210314556.db2.gz	GFVLDDOBLMCEGN-UHFFFAOYSA-N	-1	0	337.675	3.114	1	5		EGBFRM
CCCC1CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])=C([O-])C1	ZINC000103273300	219279783	/nfs/dbraw/zinc/27/97/83/219279783.db2.gz	WFHVKENIDCKMJJ-UHFFFAOYSA-N	-1	0	337.759	3.395	1	5		EGBFRM
O=C([O-])/C=C/c1cccc(Nc2cnc3ccc([N+](=O)[O-])cc3n2)c1	ZINC000072108156	216010558	/nfs/dbraw/zinc/01/05/58/216010558.db2.gz	IMFNKHQGKZNCSM-QPJJXVBHSA-N	-1	0	336.307	3.379	1	5		EGBFRM
CC(=O)Nc1cccc(-c2ccc([N+](=O)[O-])c3[nH]c(C(=O)[O-])cc32)c1	ZINC000103244190	219274616	/nfs/dbraw/zinc/27/46/16/219274616.db2.gz	VSQVKFKWAYVULS-UHFFFAOYSA-N	-1	0	339.307	3.400	1	5		EGBFRM
O=C1C[C@@H]2CCC[C@@H]2C(=O)C1=C([O-])c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000103153721	219263774	/nfs/dbraw/zinc/26/37/74/219263774.db2.gz	JXTCAQSSKPSSLI-BXGCZWRVSA-N	-1	0	335.743	3.005	1	5		EGBFRM
O=C([O-])CCc1cccc(Nc2cnc3ccc([N+](=O)[O-])cc3n2)c1	ZINC000072107970	216009763	/nfs/dbraw/zinc/00/97/63/216009763.db2.gz	HJSYAFPBCMHKDE-UHFFFAOYSA-N	-1	0	338.323	3.299	1	5		EGBFRM
CON=c1[n-]c2oc3ccc(C(C)C)cc3c(=O)c2cc1C(=O)[O-]	ZINC000100942082	219112122	/nfs/dbraw/zinc/11/21/22/219112122.db2.gz	FHKWBCAWGMKCAS-UHFFFAOYSA-N	-1	0	328.324	3.136	1	5		EGBFRM
O=C([O-])c1c(=O)nc2c3cccc4c3c(ccc4N3CCCCC3)c1-2	ZINC000045350533	132420105	/nfs/dbraw/zinc/42/01/05/132420105.db2.gz	FAAKXXPMEJFGJZ-UHFFFAOYSA-N	-1	0	332.359	3.417	1	5		EGBFRM
CC(C)OCCNc1nc2cc(C(=O)[O-])ccc2c2cnccc21	ZINC000066112499	215014863	/nfs/dbraw/zinc/01/48/63/215014863.db2.gz	ZBMNTEBOGFAPNP-UHFFFAOYSA-N	-1	0	325.368	3.318	1	5		EGBFRM
CC(=O)Nc1cccc(-c2cc3cc(C(=O)[O-])[nH]c3c([N+](=O)[O-])c2)c1	ZINC000103244198	219274720	/nfs/dbraw/zinc/27/47/20/219274720.db2.gz	FMHZOTDAMDXGJS-UHFFFAOYSA-N	-1	0	339.307	3.400	1	5		EGBFRM
COc1ccc2c(c1)oc(-c1ccc([N+](=O)[O-])cc1)c(C(=O)[O-])c2=O	ZINC000013820356	201917299	/nfs/dbraw/zinc/91/72/99/201917299.db2.gz	PEWDFWONDDTBMH-UHFFFAOYSA-N	-1	0	341.275	3.075	1	5		EGBFRM
O=[N+]([O-])c1ccc(SC2CCCCC2)c([C@@H](O)[P@@](=O)([O-])O)c1	ZINC000026271392	202141015	/nfs/dbraw/zinc/14/10/15/202141015.db2.gz	KVEXQSADMFRANW-ZDUSSCGKSA-N	-1	0	347.329	3.188	1	5		EGBFRM
Cc1cc(C)n(Cc2nnc([N-]c3ccc([N+](=O)[O-])cc3)s2)n1	ZINC000103276310	204071487	/nfs/dbraw/zinc/07/14/87/204071487.db2.gz	YCBKWQRIUHGZFG-UHFFFAOYSA-N	-1	0	330.373	3.052	1	5		EGBFRM
O=[N+]([O-])c1ccc([N-]c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000066259469	215028471	/nfs/dbraw/zinc/02/84/71/215028471.db2.gz	DUUJNTSBLUDFMZ-UHFFFAOYSA-N	-1	0	327.256	3.297	1	5		EGBFRM
CC(C)(C)Nc1cc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)[O-])cn2C1CC1	ZINC000005833900	210545216	/nfs/dbraw/zinc/54/52/16/210545216.db2.gz	QNBNVABKLFLOPA-UHFFFAOYSA-N	-1	0	345.355	3.153	1	5		EGBFRM
O=C([O-])c1cc2c([nH]1)c([N+](=O)[O-])ccc2Nc1ccc([N+](=O)[O-])cc1	ZINC000103244241	219274437	/nfs/dbraw/zinc/27/44/37/219274437.db2.gz	VQFFQCIJAYKCJK-UHFFFAOYSA-N	-1	0	342.267	3.426	1	5		EGBFRM
O=C([O-])/C=C/c1cccc(Nc2cnc3cc([N+](=O)[O-])ccc3n2)c1	ZINC000072108157	216010425	/nfs/dbraw/zinc/01/04/25/216010425.db2.gz	XCBLOBBZDGRUKX-QPJJXVBHSA-N	-1	0	336.307	3.379	1	5		EGBFRM
NC(=O)c1cccc(-c2nc3cc(C(=O)[O-])ccc3c3cnccc32)c1	ZINC000073219207	216365964	/nfs/dbraw/zinc/36/59/64/216365964.db2.gz	DOHNTCFPJHBCEP-UHFFFAOYSA-N	-1	0	343.342	3.247	1	5		EGBFRM
Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3cc([O-])ccc3c(=O)c12	ZINC000012405797	211370053	/nfs/dbraw/zinc/37/00/53/211370053.db2.gz	RHDRTOHGTYOMEV-UHFFFAOYSA-N	-1	0	337.291	3.054	1	5		EGBFRM
O=C1C[C@@H]2CCCC[C@@H]2C(=O)C1=C([O-])c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000103165837	219264981	/nfs/dbraw/zinc/26/49/81/219264981.db2.gz	JWBALIUORUEGAS-CCUNJIBTSA-N	-1	0	349.770	3.395	1	5		EGBFRM
CC(=O)Nc1cccc(-c2c3cccc([N+](=O)[O-])c3[nH]c2C(=O)[O-])c1	ZINC000103244208	219274381	/nfs/dbraw/zinc/27/43/81/219274381.db2.gz	VADYZANXBBBACD-UHFFFAOYSA-N	-1	0	339.307	3.400	1	5		EGBFRM
COc1ccc([N+](=O)[O-])cc1Cn1cc(CC(=O)[O-])c2ccccc21	ZINC000098208267	219087438	/nfs/dbraw/zinc/08/74/38/219087438.db2.gz	SPKRNUOKDWWUGW-UHFFFAOYSA-N	-1	0	340.335	3.234	1	5	in-vitro	EGBFRM
O=c1oc2ccc(OCCCc3ccccc3)cc2c([O-])c1[N+](=O)[O-]	ZINC000169337548	534322929	/nfs/dbraw/zinc/32/29/29/534322929.db2.gz	QODWDFXSRKGOQM-UHFFFAOYSA-N	-1	0	341.319	3.418	1	5		EGBFRM