smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c(O)c(C(=O)/C=C/c2ccc(O)cc2O)cc2c1OC(C)(C)C=C2	ZINC000013340701	291285800	/nfs/dbraw/zinc/28/58/00/291285800.db2.gz	XTHINBCPCUAECJ-JXMROGBWSA-N	0	1	406.478	5.392	1	30	biogenic,in-vitro	HKEFMN
CC(C)=CCC/C(C)=C/C[C@]1(C)C(=O)C2=C(O[C@H](C)CC2=O)C(CC=C(C)C)C1=O	ZINC000015120554	291283893	/nfs/dbraw/zinc/28/38/93/291283893.db2.gz	UCPJRAZQSDHPEC-YDAPUKMYSA-N	0	1	412.570	6.459	1	30	biogenic,in-vitro	HKEFMN
CC(C)=CCC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)c(O)c2)c1O	ZINC000015120648	291284267	/nfs/dbraw/zinc/28/42/67/291284267.db2.gz	WWJVSOYKRSDSDN-PIRRJUBYSA-N	0	1	408.494	5.640	1	30	endogenous,in-man	HKEFMN
C=CC(C)(C)c1c(OC)c(CC=C(C)C)c(O)c2c1oc1c(O)c(O)ccc1c2=O	ZINC000015256042	291283041	/nfs/dbraw/zinc/28/30/41/291283041.db2.gz	QFBAAHOFCQDCQH-UHFFFAOYSA-N	0	1	410.466	5.044	1	30	biogenic,in-vitro	HKEFMN
COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1F	ZINC000033721500	522007357	/nfs/dbraw/zinc/00/73/57/522007357.db2.gz	AVHKYPAXEWRMIX-CFRMEGHHSA-N	0	1	421.453	5.109	1	30		HKEFMN
CC(C)=CCC/C(C)=C/Cc1cc(/C=C/C(=O)c2ccc(O)cc2O)c(O)cc1O	ZINC000034316584	571751969	/nfs/dbraw/zinc/75/19/69/571751969.db2.gz	ARIUOJMONLRTJR-NNVJOTTFSA-N	0	1	408.494	5.640	1	30	endogenous,in-man	HKEFMN
CCCCCCCCCCCCCCO[P@](=O)([O-])OCC[N+]1(C)CCOCC1	ZINC000043285340	717128881	/nfs/dbraw/zinc/12/88/81/717128881.db2.gz	OTNXTWBJUVVYJA-UHFFFAOYSA-O	0	1	422.567	5.298	1	30		HKEFMN
CCCCCCCCCCCCCCCCO[P@](=O)([O-])COCC[N+](C)(C)C	ZINC000043382045	717129038	/nfs/dbraw/zinc/12/90/38/717129038.db2.gz	OEPSQMXBYINFSC-UHFFFAOYSA-O	0	1	422.611	6.350	1	30		HKEFMN
CCCCCCCCCCCCCCCO[P@](=O)([O-])COCC[N+](C)(C)C	ZINC000043382055	717128977	/nfs/dbraw/zinc/12/89/77/717128977.db2.gz	IUTXMHAFZIDHLX-UHFFFAOYSA-O	0	1	408.584	5.960	1	30		HKEFMN
CCCCCCCCCCCCCCO[P@](=O)([O-])OCC[N+]1(C)CCCCC1	ZINC000043833706	717129231	/nfs/dbraw/zinc/12/92/31/717129231.db2.gz	AQPKPXKPCLVPGW-UHFFFAOYSA-O	0	1	420.595	6.452	1	30		HKEFMN
CCCCCCCCCCCCCCCCO[P@](=O)([O-])NCC[N+](C)(C)C	ZINC000044404806	717129456	/nfs/dbraw/zinc/12/94/56/717129456.db2.gz	IBRCDWJJIFBJRZ-UHFFFAOYSA-O	0	1	407.600	5.881	1	30		HKEFMN
CCCCCCCCCCCCCCCCCC[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000044405210	717129290	/nfs/dbraw/zinc/12/92/90/717129290.db2.gz	RAVBWVAACCEHFY-UHFFFAOYSA-O	0	1	420.639	7.156	1	30		HKEFMN
CCCCCCCCCCCCCCCCO[P@](=O)([O-])CCC[N+](C)(C)C	ZINC000044406280	717129242	/nfs/dbraw/zinc/12/92/42/717129242.db2.gz	YYLUBHGWMZZOAU-UHFFFAOYSA-O	0	1	406.612	6.766	1	30		HKEFMN
CCCCCCCCCCCCOCCCO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000073417610	717134427	/nfs/dbraw/zinc/13/44/27/717134427.db2.gz	PMGDJIDELZDRLM-UHFFFAOYSA-O	0	1	410.556	5.154	1	30		HKEFMN
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@]2([C@@H](N)C=O)[C@H]1CCC[C@H](CO)C1	ZINC000085544962	291282303	/nfs/dbraw/zinc/28/23/03/291282303.db2.gz	YUNPGXVBXWDGIP-ZTRDJSCOSA-N	0	1	413.646	5.116	1	30	biogenic,in-vitro	HKEFMN
CC1=C2C[C@]34CC[C@@H](C)[C@@]2(CC1)[C@]3(C)CC#CC[C@@H]1[C@H](CCCO)CC[C@@]12C[N@H+]2C4	ZINC000085548199	291290004	/nfs/dbraw/zinc/29/00/04/291290004.db2.gz	HRDGEDNOAFFCQX-YLGWJMNJSA-N	0	1	407.642	5.560	1	30	biogenic,in-vitro	HKEFMN
CC1=C2C[C@]34CC[C@@H](C5CCCCC5)[C@@]2(CC1)[C@]3(C)CC#CC[C@H]1CCC[C@@]12C[N@H+]2C4	ZINC000085548243	291290078	/nfs/dbraw/zinc/29/00/78/291290078.db2.gz	XQRWIFURTZPZGW-QZROAQNASA-N	0	1	417.681	7.122	1	30	biogenic,in-vitro	HKEFMN
COc1c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c1C(=O)/C=C\c1ccc(O)cc1	ZINC000085599525	291293398	/nfs/dbraw/zinc/29/33/98/291293398.db2.gz	HOTYOZVURUOVTK-GDNBJRDFSA-N	0	1	422.521	5.726	1	30	biogenic,in-vitro	HKEFMN
C=C1C(=O)C(OC(C)=O)C(=CCCCCCCCC/C=C\CCCC)C(=O)C1OC	ZINC000085602716	291290882	/nfs/dbraw/zinc/29/08/82/291290882.db2.gz	BYLDTQOHQOUHQH-HJWRWDBZSA-N	0	1	418.574	6.133	1	30	biogenic,in-vitro	HKEFMN
CCCCCCCCCCCCCCCC(=O)C=C(O)CCCCCCCCC	ZINC000085831544	571788995	/nfs/dbraw/zinc/78/89/95/571788995.db2.gz	SMZYJVMNHONWKX-UHFFFAOYSA-N	0	1	408.711	9.137	1	30	endogenous,in-man	HKEFMN
C=C(C)[C@H](O)Cc1c(O)c(CC=C(C)C)c(=O)c2c(O)c(-c3ccc(C)cc3)coc1-2	ZINC000095099511	291281746	/nfs/dbraw/zinc/28/17/46/291281746.db2.gz	SHCCDOFTQHBUCP-OAQYLSRUSA-N	0	1	420.505	5.168	1	30	biogenic,in-vitro	HKEFMN
CC(C)=CCC/C(C)=C/Cc1cc(/C=C\C(=O)c2ccc(O)cc2O)c(O)cc1O	ZINC000095912675	291284711	/nfs/dbraw/zinc/28/47/11/291284711.db2.gz	ARIUOJMONLRTJR-GQDNYGLFSA-N	0	1	408.494	5.640	1	30	biogenic,in-vitro	HKEFMN
CCCCCCCCCCCCCCCCO[P@](=O)([O-])OCCC[N+](C)(C)C	ZINC000096915601	717141527	/nfs/dbraw/zinc/14/15/27/717141527.db2.gz	WIWXVPHATMUPGK-UHFFFAOYSA-O	0	1	422.611	6.698	1	30		HKEFMN
CCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)CCCCCCC	ZINC000143761132	717152969	/nfs/dbraw/zinc/15/29/69/717152969.db2.gz	NVEMVOLPEDXTAM-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN
CCCCCCCCCCCC[N+](C)(C)CCO[P@](=O)([O-])OCCCCC	ZINC000299855975	717181792	/nfs/dbraw/zinc/18/17/92/717181792.db2.gz	BJTCXWWFNUGSCG-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN
CCCCCCCCCCC[N+](C)(C)CCO[P@](=O)([O-])OCCCCCC	ZINC000299856390	717181915	/nfs/dbraw/zinc/18/19/15/717181915.db2.gz	BSUNJUGGEQYAIP-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN
CCCCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)CCC	ZINC000299860797	717181971	/nfs/dbraw/zinc/18/19/71/717181971.db2.gz	HDHQVEVQZGXIAO-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN
CCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)CCCCCCCC	ZINC000299862868	717181979	/nfs/dbraw/zinc/18/19/79/717181979.db2.gz	KEOJHRLSNAFTIF-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN
CCCCCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)CC	ZINC000299864140	717181876	/nfs/dbraw/zinc/18/18/76/717181876.db2.gz	MAVQSZAXODSSRO-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN
CCCCCCCCCC[N+](C)(C)CCO[P@](=O)([O-])OCCCCCCC	ZINC000299865383	717181863	/nfs/dbraw/zinc/18/18/63/717181863.db2.gz	NPJCUXYPCHQLRR-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN
CCCCCCCCCCCCCC[N+](C)(C)CCO[P@](=O)([O-])OCCC	ZINC000299866578	717181809	/nfs/dbraw/zinc/18/18/09/717181809.db2.gz	PBCPNMKIXBTQGB-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN
CCCCCCCCCCCCCCC[N+](C)(C)CCO[P@](=O)([O-])OCC	ZINC000299867279	717181826	/nfs/dbraw/zinc/18/18/26/717181826.db2.gz	QBWDHEZEDHSXBB-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN
CCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)CCCCCC	ZINC000299869708	717181923	/nfs/dbraw/zinc/18/19/23/717181923.db2.gz	VFGNWJUCUROIHK-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN
CCCCCCCCC[N+](C)(C)CCO[P@](=O)([O-])OCCCCCCCC	ZINC000299870148	717181830	/nfs/dbraw/zinc/18/18/30/717181830.db2.gz	VXQHDOKVVBSMLQ-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN
CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)CCCCC	ZINC000299870978	717181941	/nfs/dbraw/zinc/18/19/41/717181941.db2.gz	XIPOZMXLAWTJFL-UHFFFAOYSA-O	0	1	408.584	6.308	1	30		HKEFMN