smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(c3oc4cccc(=O)c-4c([O-])c13)[C@H]1CCO[C@@H]1O2	ZINC000014715670	571721494	/nfs/dbraw/zinc/72/14/94/571721494.db2.gz	RHGQIWVTIHZRLI-NTCNTBNZSA-N	-1	3	326.304	2.883	1	5	endogenous,in-man	EFBFHM
COc1cc2c(c3oc4cccc([O-])c4c(=O)c13)[C@H]1CCO[C@@H]1O2	ZINC000014715670	571721496	/nfs/dbraw/zinc/72/14/96/571721496.db2.gz	RHGQIWVTIHZRLI-NTCNTBNZSA-N	-1	3	326.304	2.883	1	5	endogenous,in-man	EFBFHM
CCCCCCO[C@H](c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[n-]c1=O	ZINC000028963128	538123448	/nfs/dbraw/zinc/12/34/48/538123448.db2.gz	UGVQDRKDFRLDAC-OAHLLOKOSA-N	-1	3	347.371	2.658	1	5		EFBFHM
COc1ccc(=O)c2c([O-])c3cc(OC)c(OC)c(OC)c3oc1-2	ZINC000003850964	560190294	/nfs/dbraw/zinc/19/02/94/560190294.db2.gz	FMCKDRDZXQGMQL-UHFFFAOYSA-N	-1	3	332.308	2.686	1	5	biogenic,in-vitro	EFBFHM
COc1ccc([O-])c2c(=O)c3cc(OC)c(OC)c(OC)c3oc12	ZINC000003850964	560190295	/nfs/dbraw/zinc/19/02/95/560190295.db2.gz	FMCKDRDZXQGMQL-UHFFFAOYSA-N	-1	3	332.308	2.686	1	5	biogenic,in-vitro	EFBFHM
CN1CCc2cc([N+](=O)[O-])c([O-])cc2[C@H](c2cccc3c2OCC3)C1	ZINC000004631755	201360682	/nfs/dbraw/zinc/36/06/82/201360682.db2.gz	XZPSYCOYKJRHKE-INIZCTEOSA-N	-1	3	340.379	2.855	1	5	in-vitro	EFBFHM
CN1CCc2cc([N+](=O)[O-])c([O-])cc2[C@@H](c2cccc3c2OCC3)C1	ZINC000003800982	210074955	/nfs/dbraw/zinc/07/49/55/210074955.db2.gz	XZPSYCOYKJRHKE-MRXNPFEDSA-N	-1	3	340.379	2.855	1	5	investigational	EFBFHM
O=C([N-]C(=O)c1nc2cc(F)ccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1	ZINC000103289213	219284594	/nfs/dbraw/zinc/28/45/94/219284594.db2.gz	NJRYUKMWLBDNHE-UHFFFAOYSA-N	-1	3	343.274	2.572	1	5		EFBFHM
O=C(Nc1ccc([O-])cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000013760670	211632363	/nfs/dbraw/zinc/63/23/63/211632363.db2.gz	HDDCQKJMNNOBJT-UHFFFAOYSA-N	-1	3	325.280	2.603	1	5		EFBFHM
O=C([O-])CCC[C@@H]1[C@H]2CCC[N@+]3([O-])CCC[C@@H](CN1CC1CC1)[C@@H]23	ZINC000253733823	717168181	/nfs/dbraw/zinc/16/81/81/717168181.db2.gz	HNMGWVJBZMTABI-MYNNRCAZSA-N	-1	3	336.476	2.839	1	5		EFBFHM
Nc1nc([N-]C(=O)c2ccccc2F)c([N+](=O)[O-])c(-c2ccco2)n1	ZINC000043120105	202508619	/nfs/dbraw/zinc/50/86/19/202508619.db2.gz	NMWQGSJOLWAPEH-UHFFFAOYSA-N	-1	3	343.274	2.618	1	5		EFBFHM
COc1cc2c(c3oc4cccc(=O)c-4c([O-])c13)[C@H]1CCO[C@H]1O2	ZINC000014715668	571721459	/nfs/dbraw/zinc/72/14/59/571721459.db2.gz	RHGQIWVTIHZRLI-CVJBHZAOSA-N	-1	3	326.304	2.883	1	5	endogenous,in-man	EFBFHM
COc1cc2c(c3oc4cccc([O-])c4c(=O)c13)[C@H]1CCO[C@H]1O2	ZINC000014715668	571721462	/nfs/dbraw/zinc/72/14/62/571721462.db2.gz	RHGQIWVTIHZRLI-CVJBHZAOSA-N	-1	3	326.304	2.883	1	5	endogenous,in-man	EFBFHM
O=C([O-])CCC[C@@H]1[C@H]2CCC[N@@+]3([O-])CCC[C@@H](CN1CC1CC1)[C@@H]23	ZINC000253733811	717168208	/nfs/dbraw/zinc/16/82/08/717168208.db2.gz	HNMGWVJBZMTABI-DBALVGSCSA-N	-1	3	336.476	2.839	1	5		EFBFHM
COc1cc(=O)c2c([O-])c3cc([N+](=O)[O-])c(Cl)cc3n(C)c-2c1	ZINC000035965512	213053426	/nfs/dbraw/zinc/05/34/26/213053426.db2.gz	PPEYCKUIYPNHFL-UHFFFAOYSA-N	-1	3	334.715	2.968	1	5		EFBFHM
COc1cc([O-])c2c(=O)c3cc([N+](=O)[O-])c(Cl)cc3n(C)c2c1	ZINC000035965512	213053431	/nfs/dbraw/zinc/05/34/31/213053431.db2.gz	PPEYCKUIYPNHFL-UHFFFAOYSA-N	-1	3	334.715	2.968	1	5		EFBFHM
COc1cc2c(c3oc4cccc([O-])c4c(=O)c13)[C@@H]1CCO[C@H]1O2	ZINC000014715672	571721535	/nfs/dbraw/zinc/72/15/35/571721535.db2.gz	RHGQIWVTIHZRLI-ASCAZGACSA-N	-1	3	326.304	2.883	1	5	endogenous,in-man	EFBFHM
COc1cc2c(c3oc4cccc(=O)c-4c([O-])c13)[C@@H]1CCO[C@H]1O2	ZINC000014715672	571721533	/nfs/dbraw/zinc/72/15/33/571721533.db2.gz	RHGQIWVTIHZRLI-ASCAZGACSA-N	-1	3	326.304	2.883	1	5	endogenous,in-man	EFBFHM
Cc1c([O-])ccc2c3ccc(NS(C)(=O)=O)c(C)c3c(=O)oc12	ZINC000028570346	202172556	/nfs/dbraw/zinc/17/25/56/202172556.db2.gz	YDPNHHGRSZZASJ-UHFFFAOYSA-N	-1	3	333.365	2.640	1	5		EFBFHM
Cc1ccn2c(c1)nc(-c1ccc([O-])c([N+](=O)[O-])c1)c2CN(C)C	ZINC000103214670	219271750	/nfs/dbraw/zinc/27/17/50/219271750.db2.gz	QEOQGVFGGUEMIK-UHFFFAOYSA-N	-1	3	326.356	2.985	1	5		EFBFHM
O=C([O-])CCC[C@@H]1[C@H]2CCC[N+]3([O-])CCC[C@@H](CN1CC1CC1)[C@@H]23	ZINC000072113615	216011477	/nfs/dbraw/zinc/01/14/77/216011477.db2.gz	HNMGWVJBZMTABI-LVIAMWJXSA-N	-1	3	336.476	2.839	1	5		EFBFHM
O=C(Nc1nc2c(cccc2[N+](=O)[O-])[n-]1)c1cccc([N+](=O)[O-])c1	ZINC000040762597	213384221	/nfs/dbraw/zinc/38/42/21/213384221.db2.gz	VPZCCONTCXGKKV-UHFFFAOYSA-N	-1	3	327.256	2.632	1	5		EFBFHM
O=C(Nc1nc2cccc([N+](=O)[O-])c2[n-]1)c1cccc([N+](=O)[O-])c1	ZINC000040762597	213384223	/nfs/dbraw/zinc/38/42/23/213384223.db2.gz	VPZCCONTCXGKKV-UHFFFAOYSA-N	-1	3	327.256	2.632	1	5		EFBFHM