smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)[O-]	ZINC000001481830	581098244	/nfs/dbraw/zinc/09/82/44/581098244.db2.gz	WMUIIGVAWPWQAW-DEOSSOPVSA-N	-1	0	419.477	5.042	1	10	in-man	HKCFRM
O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C1\CCCN(c2ccccc2)C1=O	ZINC000001484672	132246971	/nfs/dbraw/zinc/24/69/71/132246971.db2.gz	XLQOULKRIADZTN-FMIVXFBMSA-N	-1	0	415.276	5.383	1	10		HKCFRM
CC(C)=CCCC1=CC[C@H]2C(=O)c3c(C=O)c([O-])c(O)c(C(C)C)c3C(=O)[C@@]2(C)C1	ZINC000005761537	571689486	/nfs/dbraw/zinc/68/94/86/571689486.db2.gz	YCZAHJSVHOSXPX-GKVSMKOHSA-N	-1	0	410.510	5.502	1	10	endogenous,in-man	HKCFRM
CC(C)=CCC/C(C)=C\C[C@]12O[C@@]1(CC=C(C)C)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000013366864	560214947	/nfs/dbraw/zinc/21/49/47/560214947.db2.gz	HKGKESKEIDMUJE-UYNSIODKSA-N	-1	0	410.510	5.424	1	10	in-vitro	HKCFRM
CC(C)=CCc1cc(-c2coc3cc([O-])cc(O)c3c2=O)c(CC=C(C)C)c(O)c1O	ZINC000014727600	291287028	/nfs/dbraw/zinc/28/70/28/291287028.db2.gz	RWGZXUWGOARVDQ-UHFFFAOYSA-N	-1	0	422.477	5.300	1	10	biogenic,in-vitro	HKCFRM
CC(C)=CCc1cc(-c2coc3c(CC=C(C)C)c([O-])cc(O)c3c2=O)cc(O)c1O	ZINC000014727603	571722740	/nfs/dbraw/zinc/72/27/40/571722740.db2.gz	DPLWUTYEBRKBLI-UHFFFAOYSA-N	-1	0	422.477	5.300	1	10	endogenous,in-man	HKCFRM
CC(C)=CCC/C(C)=C/Cc1c(O)c(O)cc(-c2coc3cc([O-])ccc3c2=O)c1O	ZINC000015120655	291283886	/nfs/dbraw/zinc/28/38/86/291283886.db2.gz	JVYKYLOUVXNIMK-VIZOYTHASA-N	-1	0	422.477	5.518	1	10	biogenic,in-vitro	HKCFRM
CC(C)=CC[C@H]1C(C)=CC[C@@]2(C)C(=O)c3c(c(C=O)c([O-])c(O)c3C(C)C)C(=O)[C@@H]12	ZINC000015268424	560229975	/nfs/dbraw/zinc/22/99/75/560229975.db2.gz	FMJIKKXSIVRJGO-YSANICFGSA-N	-1	0	410.510	5.358	1	10	in-vitro,metabolite	HKCFRM
COc1c([O-])c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC=C(C)[C@@H](CC=C(C)C)[C@H]1C2=O	ZINC000015268437	560229962	/nfs/dbraw/zinc/22/99/62/560229962.db2.gz	JIBJRIUIIPXXGN-BSBLBABLSA-N	-1	0	424.537	5.661	1	10	in-vitro	HKCFRM
COc1c([O-])c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC=C(C)[C@@H](CC=C(C)C)[C@@H]1C2=O	ZINC000015268439	560229996	/nfs/dbraw/zinc/22/99/96/560229996.db2.gz	JIBJRIUIIPXXGN-LNHOJHAFSA-N	-1	0	424.537	5.661	1	10	in-vitro	HKCFRM
CC(C)=CCCC1=CC[C@H]2C(=O)c3c(C=O)c([O-])c(O)c(C(C)C)c3C(=O)[C@]2(C)C1	ZINC000015268461	571739237	/nfs/dbraw/zinc/73/92/37/571739237.db2.gz	YCZAHJSVHOSXPX-SSOJOUAXSA-N	-1	0	410.510	5.502	1	10	endogenous,in-man	HKCFRM
CC(C)=CCCC1=CC[C@@H]2C(=O)c3c(C=O)c([O-])c(O)c(C(C)C)c3C(=O)[C@]2(C)C1	ZINC000015268463	571739110	/nfs/dbraw/zinc/73/91/10/571739110.db2.gz	YCZAHJSVHOSXPX-CRICUBBOSA-N	-1	0	410.510	5.502	1	10	endogenous,in-man	HKCFRM
CC(C)=CCCC1=CC[C@@H]2C(=O)c3c(C=O)c([O-])c(O)c(C(C)C)c3C(=O)[C@@]2(C)C1	ZINC000015268465	571738941	/nfs/dbraw/zinc/73/89/41/571738941.db2.gz	YCZAHJSVHOSXPX-NSYGIPOTSA-N	-1	0	410.510	5.502	1	10	endogenous,in-man	HKCFRM
COc1c([O-])c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC(CCC=C(C)C)=CC[C@H]1C2=O	ZINC000015268467	560229965	/nfs/dbraw/zinc/22/99/65/560229965.db2.gz	YAHBSDIPFPMSAO-HFJWLAOPSA-N	-1	0	424.537	5.805	1	10	in-vitro	HKCFRM
COc1c([O-])c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC(CCC=C(C)C)=CC[C@@H]1C2=O	ZINC000015268469	560229948	/nfs/dbraw/zinc/22/99/48/560229948.db2.gz	YAHBSDIPFPMSAO-WXTAPIANSA-N	-1	0	424.537	5.805	1	10	in-vitro	HKCFRM
COc1c([O-])c(C=O)c2c(c1C(C)C)C(=O)[C@@]1(C)CC(CCC=C(C)C)=CC[C@H]1C2=O	ZINC000015268472	560229989	/nfs/dbraw/zinc/22/99/89/560229989.db2.gz	YAHBSDIPFPMSAO-QYBDOPJKSA-N	-1	0	424.537	5.805	1	10	in-vitro	HKCFRM
COc1c([O-])c(C=O)c2c(c1C(C)C)C(=O)[C@@]1(C)CC(CCC=C(C)C)=CC[C@@H]1C2=O	ZINC000015268475	560229992	/nfs/dbraw/zinc/22/99/92/560229992.db2.gz	YAHBSDIPFPMSAO-DWXRJYCRSA-N	-1	0	424.537	5.805	1	10	in-vitro	HKCFRM
COc1c([O-])c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)[C@H](CC=C(C)C)C(C)=CC[C@H]1C2=O	ZINC000015268484	560229943	/nfs/dbraw/zinc/22/99/43/560229943.db2.gz	LTDXHSVIDXPYBK-FIAZIHOUSA-N	-1	0	424.537	5.661	1	10	in-vitro	HKCFRM
COc1c([O-])c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)[C@H](CC=C(C)C)C(C)=CC[C@@H]1C2=O	ZINC000015268486	560229968	/nfs/dbraw/zinc/22/99/68/560229968.db2.gz	LTDXHSVIDXPYBK-UYPAYLBCSA-N	-1	0	424.537	5.661	1	10	in-vitro	HKCFRM
CC(C)=CCC/C(C)=C/Cc1c([O-])cc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O	ZINC000038245762	291284313	/nfs/dbraw/zinc/28/43/13/291284313.db2.gz	YOYLZCNREONCKB-RIYZIHGNSA-N	-1	0	406.478	5.122	1	10	biogenic,in-vitro	HKCFRM
CC(C)=CCC/C(C)=C/Cc1c2oc3c(c2cc(O)c1O)c(=O)oc1cc([O-])ccc31	ZINC000085996578	291284337	/nfs/dbraw/zinc/28/43/37/291284337.db2.gz	PBLWSVWYIYVLDE-VGOFMYFVSA-N	-1	0	420.461	6.044	1	10	biogenic,in-vitro	HKCFRM
CC(C)=CCC/C(C)=C/Cc1c2oc3oc4cc([O-])ccc4c(=O)c3c2cc(O)c1O	ZINC000085996582	291284245	/nfs/dbraw/zinc/28/42/45/291284245.db2.gz	WPDUQFCORDILFF-VGOFMYFVSA-N	-1	0	420.461	6.044	1	10	biogenic,in-vitro	HKCFRM