smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc2c(c3oc4cccc([O-])c4c([O-])c1-3)[C@@H]1CCO[C@H]1O2	ZINC000014715676	560100133	/nfs/dbraw/zinc/10/01/33/560100133.db2.gz	WUSMTEDKVPWFDN-SKLCBMLGSA-N	-2	3	312.277	2.580	10	5	endogenous,in-man	DFBEHL
O=c1cccc2oc3c4c(cc([O-])c3c([O-])c1-2)O[C@@H]1OCC[C@@H]41	ZINC000014715676	560100135	/nfs/dbraw/zinc/10/01/35/560100135.db2.gz	WUSMTEDKVPWFDN-SKLCBMLGSA-N	-2	3	312.277	2.580	10	5	endogenous,in-man	DFBEHL
O=c1cc2c(c3oc4cccc([O-])c4c([O-])c1-3)[C@@H]1C=CO[C@@H]1O2	ZINC000006092239	560108986	/nfs/dbraw/zinc/10/89/86/560108986.db2.gz	RQQOEIJLJPCYJR-BWKAKNAASA-N	-2	3	310.261	2.703	10	5	endogenous,in-man	DFBEHL
O=c1cccc2oc3c4c(cc([O-])c3c([O-])c1-2)O[C@H]1OC=C[C@@H]41	ZINC000006092239	560108987	/nfs/dbraw/zinc/10/89/87/560108987.db2.gz	RQQOEIJLJPCYJR-BWKAKNAASA-N	-2	3	310.261	2.703	10	5	endogenous,in-man	DFBEHL
O=c1cc2c(c3oc4cccc([O-])c4c([O-])c1-3)[C@H]1CCO[C@@H]1O2	ZINC000014715674	560100127	/nfs/dbraw/zinc/10/01/27/560100127.db2.gz	WUSMTEDKVPWFDN-IWEMQMMOSA-N	-2	3	312.277	2.580	10	5	endogenous,in-man	DFBEHL
O=c1cccc2oc3c4c(cc([O-])c3c([O-])c1-2)O[C@H]1OCC[C@H]41	ZINC000014715674	560100129	/nfs/dbraw/zinc/10/01/29/560100129.db2.gz	WUSMTEDKVPWFDN-IWEMQMMOSA-N	-2	3	312.277	2.580	10	5	endogenous,in-man	DFBEHL
O=c1cc2c(c3oc4cccc([O-])c4c([O-])c1-3)[C@H]1CCO[C@H]1O2	ZINC000014715678	560100065	/nfs/dbraw/zinc/10/00/65/560100065.db2.gz	WUSMTEDKVPWFDN-GJEGPGMTSA-N	-2	3	312.277	2.580	10	5	endogenous,in-man	DFBEHL
O=c1cccc2oc3c4c(cc([O-])c3c([O-])c1-2)O[C@@H]1OCC[C@H]41	ZINC000014715678	560100067	/nfs/dbraw/zinc/10/00/67/560100067.db2.gz	WUSMTEDKVPWFDN-GJEGPGMTSA-N	-2	3	312.277	2.580	10	5	endogenous,in-man	DFBEHL
Cc1ccc([N-]c2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])nc1	ZINC000040646876	183113298	/nfs/dbraw/zinc/11/32/98/183113298.db2.gz	RDLKMKMVMIALMY-UHFFFAOYSA-N	-2	3	323.316	2.970	10	5		DFBEHL
Cc1ccnc([N-]c2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])c1	ZINC000040588243	183105801	/nfs/dbraw/zinc/10/58/01/183105801.db2.gz	CVTLIEDCFZPMOP-UHFFFAOYSA-N	-2	3	323.316	2.970	10	5		DFBEHL
O=[N+]([O-])c1[n-]cnc1-c1nnc([N-]c2ccc(Cl)cc2)o1	ZINC000004344036	542416793	/nfs/dbraw/zinc/41/67/93/542416793.db2.gz	NHUHPJKETBWCDJ-UHFFFAOYSA-N	-2	3	306.669	2.765	10	5		DFBEHL
Cc1cccc([N-]c2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])n1	ZINC000040584679	183104853	/nfs/dbraw/zinc/10/48/53/183104853.db2.gz	CEBVTLMDYSLTQL-UHFFFAOYSA-N	-2	3	323.316	2.970	10	5		DFBEHL
O=c1cc2c(c3oc4cccc([O-])c4c([O-])c1-3)[C@@H]1CCO[C@@H]1O2	ZINC000013533343	560102993	/nfs/dbraw/zinc/10/29/93/560102993.db2.gz	WUSMTEDKVPWFDN-BWKAKNAASA-N	-2	3	312.277	2.580	10	5	endogenous,in-man	DFBEHL
O=c1cccc2oc3c4c(cc([O-])c3c([O-])c1-2)O[C@H]1OCC[C@@H]41	ZINC000013533343	560102994	/nfs/dbraw/zinc/10/29/94/560102994.db2.gz	WUSMTEDKVPWFDN-BWKAKNAASA-N	-2	3	312.277	2.580	10	5	endogenous,in-man	DFBEHL