smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2ccccc2n(Cc2ccccc2)c2cc([O-])cc(O)c12	ZINC000064235635	184293004	/nfs/dbraw/zinc/29/30/04/184293004.db2.gz	XPLMCRRAROJVHT-UHFFFAOYSA-N	-1	3	317.344	3.614	1	5		DHBFHM
CC1(C)C=Cc2c(c(O)cc3c([O-])c4c(=O)cccc-4oc32)O1	ZINC000013485104	560217505	/nfs/dbraw/zinc/21/75/05/560217505.db2.gz	LRICMAYRBWRRLO-UHFFFAOYSA-N	-1	3	310.305	3.542	1	5	biogenic,in-vitro	DHBFHM
CC1(C)C=Cc2c(c(O)cc3c(=O)c4c([O-])cccc4oc32)O1	ZINC000013485104	560217507	/nfs/dbraw/zinc/21/75/07/560217507.db2.gz	LRICMAYRBWRRLO-UHFFFAOYSA-N	-1	3	310.305	3.542	1	5	biogenic,in-vitro	DHBFHM
O=[N+]([O-])c1ccc(-c2cc([O-])c3nc4ccccc4n3c2)cc1	ZINC000012942828	181814139	/nfs/dbraw/zinc/81/41/39/181814139.db2.gz	PYXDRZFBVIZYFW-UHFFFAOYSA-N	-1	3	305.293	3.768	1	5		DHBFHM
Cc1cccc2c(=O)c3c([O-])cc4c(c3n(C)c12)C=CC(C)(C)O4	ZINC000006491448	181345506	/nfs/dbraw/zinc/34/55/06/181345506.db2.gz	MGXACOZTGFYFIT-UHFFFAOYSA-N	-1	3	321.376	3.890	1	5		DHBFHM
Cc1cccc2c1c(=O)c1c([O-])cc3c(c1n2C)C=CC(C)(C)O3	ZINC000006491439	181345764	/nfs/dbraw/zinc/34/57/64/181345764.db2.gz	CSYSIDMKPSHLMD-UHFFFAOYSA-N	-1	3	321.376	3.890	1	5		DHBFHM
O=C(Nc1ccccc1)c1cnc2c3ccccc3ccc2c1[O-]	ZINC000040956649	183151647	/nfs/dbraw/zinc/15/16/47/183151647.db2.gz	QEXMTOGDUFOXQG-UHFFFAOYSA-N	-1	3	314.344	3.934	1	5		DHBFHM
CC(C)=CCc1c(=O)cc([O-])c2c(O)c3ccccc3n(C)c1-2	ZINC000015114964	181990019	/nfs/dbraw/zinc/99/00/19/181990019.db2.gz	ZVEGIYHOVGYFQS-UHFFFAOYSA-N	-1	3	309.365	3.612	1	5		DHBFHM
CC[C@@]1(C)C=Cc2c(cc([O-])c3c(=O)c4ccccc4n(C)c23)O1	ZINC000017224171	182080431	/nfs/dbraw/zinc/08/04/31/182080431.db2.gz	YBQWDYCLMNKQGB-FQEVSTJZSA-N	-1	3	321.376	3.972	1	5		DHBFHM
CC[C@]1(C)C=Cc2c(cc([O-])c3c(=O)c4ccccc4n(C)c23)O1	ZINC000006002512	181305201	/nfs/dbraw/zinc/30/52/01/181305201.db2.gz	YBQWDYCLMNKQGB-HXUWFJFHSA-N	-1	3	321.376	3.972	1	5		DHBFHM
Cc1c([O-])ccc2c3ccc(Br)cc3c(=O)oc12	ZINC000003987042	181060815	/nfs/dbraw/zinc/06/08/15/181060815.db2.gz	FTLWRBYUURZGIV-UHFFFAOYSA-N	-1	3	305.127	3.723	1	5		DHBFHM
CC1(C)C=Cc2c(cc(=O)c3c([O-])c4cc(O)ccc4oc2-3)O1	ZINC000014780243	560226260	/nfs/dbraw/zinc/22/62/60/560226260.db2.gz	TZPXKEYIVMJZOB-UHFFFAOYSA-N	-1	3	310.305	3.542	1	5	biogenic,in-vitro	DHBFHM
CC1(C)C=Cc2c(cc([O-])c3c(=O)c4cc(O)ccc4oc23)O1	ZINC000014780243	560226261	/nfs/dbraw/zinc/22/62/61/560226261.db2.gz	TZPXKEYIVMJZOB-UHFFFAOYSA-N	-1	3	310.305	3.542	1	5	biogenic,in-vitro	DHBFHM
COc1c2c(cc3c([O-])c4c(=O)cccc-4oc31)C=CC(C)(C)O2	ZINC000015217371	560229432	/nfs/dbraw/zinc/22/94/32/560229432.db2.gz	JRTRHKZHVTTZNZ-UHFFFAOYSA-N	-1	3	324.332	3.845	1	5	biogenic,in-vitro	DHBFHM
COc1c2c(cc3c(=O)c4c([O-])cccc4oc31)C=CC(C)(C)O2	ZINC000015217371	560229434	/nfs/dbraw/zinc/22/94/34/560229434.db2.gz	JRTRHKZHVTTZNZ-UHFFFAOYSA-N	-1	3	324.332	3.845	1	5	biogenic,in-vitro	DHBFHM
O=c1cc(OCc2ccccc2)cc2[nH]c3ccccc3c([O-])c1-2	ZINC000058506283	184121085	/nfs/dbraw/zinc/12/10/85/184121085.db2.gz	QRWMDRCBIDQARL-UHFFFAOYSA-N	-1	3	317.344	3.966	1	5		DHBFHM
O=c1c2ccccc2[nH]c2cc(OCc3ccccc3)cc([O-])c21	ZINC000058506283	184121087	/nfs/dbraw/zinc/12/10/87/184121087.db2.gz	QRWMDRCBIDQARL-UHFFFAOYSA-N	-1	3	317.344	3.966	1	5		DHBFHM
O=c1c2ccccc2n(Cc2ccccc2)c2cccc([O-])c12	ZINC000064559914	184299483	/nfs/dbraw/zinc/29/94/83/184299483.db2.gz	ULZVQSRFRZYKHY-UHFFFAOYSA-N	-1	3	301.345	3.909	1	5		DHBFHM
CCCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([O-])c1	ZINC000064564638	184300015	/nfs/dbraw/zinc/30/00/15/184300015.db2.gz	OFBDFQVCWOCCAY-UHFFFAOYSA-N	-1	3	318.285	3.953	1	5		DHBFHM
Cc1cccc2c1c([O-])c1c(=O)c3c(cc-1n2C)OC(C)(C)C=C3	ZINC000005579718	181260059	/nfs/dbraw/zinc/26/00/59/181260059.db2.gz	SYFUQHSRSVYVOC-UHFFFAOYSA-N	-1	3	321.376	3.890	1	5		DHBFHM
Cc1cccc2c1c(=O)c1c([O-])c3c(cc1n2C)OC(C)(C)C=C3	ZINC000005579718	181260061	/nfs/dbraw/zinc/26/00/61/181260061.db2.gz	SYFUQHSRSVYVOC-UHFFFAOYSA-N	-1	3	321.376	3.890	1	5		DHBFHM