smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]cnc2c1nnn2[C@H]1c2ccccc2C[C@H]1O	ZINC000095560066	185009651	/nfs/dbraw/zinc/00/96/51/185009651.db2.gz	LYGHQSJFSMVZEF-KOLCDFICSA-N	-1	3	269.264	0.433	1	0		CCAFHM
CC[C@@H](C)[C@@H](N)C(=O)NC(CCC(N)=O)C(=O)[O-]	ZINC000100387017	574417766	/nfs/dbraw/zinc/41/77/66/574417766.db2.gz	FCHBEKZLXKCNHS-HZGVNTEJSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
CS(=O)(=O)[N-]n1c(=O)[nH]c2c(Cl)cccc2c1=O	ZINC000071340942	176130674	/nfs/dbraw/zinc/13/06/74/176130674.db2.gz	RAKHGINKZWWHOU-UHFFFAOYSA-N	-1	3	289.700	0.259	1	0		CCAFHM
CC[C@@H](C)C(NC(=O)[C@H](N)CCC(N)=O)C(=O)[O-]	ZINC000069486739	574415824	/nfs/dbraw/zinc/41/58/24/574415824.db2.gz	QYMKFBSJPOAXGS-RNFRBKRXSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
CC[C@@H](C)C(NC(=O)[C@@H](N)CCC(N)=O)C(=O)[O-]	ZINC000069486744	574415834	/nfs/dbraw/zinc/41/58/34/574415834.db2.gz	QYMKFBSJPOAXGS-RQJHMYQMSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
CC(C)C[C@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000069487315	574416011	/nfs/dbraw/zinc/41/60/11/574416011.db2.gz	RRLRRZYVNKCFRM-VIFPVBQESA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
Nc1nc(-c2ccc(OCCCO)cc2)cc(=O)[n-]1	ZINC000095563471	185010154	/nfs/dbraw/zinc/01/01/54/185010154.db2.gz	DJYPTPNBOPXPSP-UHFFFAOYSA-N	-1	3	261.281	0.780	1	0		CCAFHM
CCCN1C(=O)N(C)[C@H](N([O-])C(=O)NC)C1(C)C	ZINC000000549420	283313407	/nfs/dbraw/zinc/31/34/07/283313407.db2.gz	DKRLPDICOVAYRT-MRVPVSSYSA-N	-1	3	258.322	0.899	3	0		CCAFHM
COc1cc2c(cc1[O-])NC(=O)[C@@H]1CC[C@@H](O)N1C2=O	ZINC000006017789	560204292	/nfs/dbraw/zinc/20/42/92/560204292.db2.gz	IAAKMUQTTVYMND-GZMMTYOYSA-N	-1	3	278.264	0.276	1	0	in-vitro	CCAFHM
NCC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccccc1	ZINC000071329132	176123889	/nfs/dbraw/zinc/12/38/89/176123889.db2.gz	XTZYJEHDSZEADM-GXSJLCMTSA-N	-1	3	266.322	0.673	1	0		CCAFHM
O=c1[n-]cnc2c1nnn2[C@H]1c2ccccc2C[C@@H]1O	ZINC000095560788	185009011	/nfs/dbraw/zinc/00/90/11/185009011.db2.gz	LYGHQSJFSMVZEF-ONGXEEELSA-N	-1	3	269.264	0.433	1	0		CCAFHM
CC[C@H](C)C(NC(=O)[C@@H](N)CCC(N)=O)C(=O)[O-]	ZINC000069486745	574415832	/nfs/dbraw/zinc/41/58/32/574415832.db2.gz	QYMKFBSJPOAXGS-BQBZGAKWSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
CC(C)C(NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000069487048	574415978	/nfs/dbraw/zinc/41/59/78/574415978.db2.gz	KJIMLHLXUGGYBA-MRVPVSSYSA-N	-1	3	254.290	0.337	1	0	endogenous,in-vitro	CCAFHM
CC(C)C(NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000069487048	574415979	/nfs/dbraw/zinc/41/59/79/574415979.db2.gz	KJIMLHLXUGGYBA-MRVPVSSYSA-N	-1	3	254.290	0.337	1	0	endogenous,in-vitro	CCAFHM
COc1cc2c(cc1[O-])NC(=O)[C@H]1CC[C@H](O)N1C2=O	ZINC000006017790	560204311	/nfs/dbraw/zinc/20/43/11/560204311.db2.gz	IAAKMUQTTVYMND-KCJUWKMLSA-N	-1	3	278.264	0.276	1	0	in-vitro	CCAFHM
COc1cc2c(cc1[O-])NC(=O)[C@@H]1CC[C@H](O)N1C2=O	ZINC000006017788	560204324	/nfs/dbraw/zinc/20/43/24/560204324.db2.gz	IAAKMUQTTVYMND-KWQFWETISA-N	-1	3	278.264	0.276	1	0	in-vitro	CCAFHM
C[C@@H](O)C(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069488357	574416373	/nfs/dbraw/zinc/41/63/73/574416373.db2.gz	ZJKREHLRRZTLKL-XCBNKYQSSA-N	-1	3	282.296	0.044	1	0	endogenous,in-vitro	CCAFHM
CSCC[C@@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100387591	574418010	/nfs/dbraw/zinc/41/80/10/574418010.db2.gz	BLWPKMZCXZNWMJ-MRVPVSSYSA-N	-1	3	286.357	0.434	1	0	endogenous,in-vitro	CCAFHM
CSCC[C@@H](N)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]	ZINC000100387591	574418011	/nfs/dbraw/zinc/41/80/11/574418011.db2.gz	BLWPKMZCXZNWMJ-MRVPVSSYSA-N	-1	3	286.357	0.434	1	0	endogenous,in-vitro	CCAFHM
COc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1OC	ZINC000005720824	170132610	/nfs/dbraw/zinc/13/26/10/170132610.db2.gz	UEVGZSZRFXMFRJ-QMMMGPOBSA-N	-1	3	250.254	0.454	1	0		CCAFHM
CC[C@H](C)CC[C@@H](N)[C@H](O)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000036429940	172635617	/nfs/dbraw/zinc/63/56/17/172635617.db2.gz	VLUDHYVPNMGNDL-USZNOCQGSA-N	-1	3	288.388	0.726	1	0		CCAFHM
CC[C@H](C)C(NC(=O)[C@H](N)CCC(N)=O)C(=O)[O-]	ZINC000069486741	574415838	/nfs/dbraw/zinc/41/58/38/574415838.db2.gz	QYMKFBSJPOAXGS-NKWVEPMBSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
C[C@@H](O)C(NC(=O)[C@H](N)Cc1ccccc1)C(=O)[O-]	ZINC000069487710	574416198	/nfs/dbraw/zinc/41/61/98/574416198.db2.gz	WUEOIAFQRDKERE-PSASIEDQSA-N	-1	3	266.297	0.339	1	0	endogenous,in-vitro	CCAFHM
CC(C)[C@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100388812	574418440	/nfs/dbraw/zinc/41/84/40/574418440.db2.gz	HNYOBYSEYZSUQB-VIFPVBQESA-N	-1	3	254.290	0.337	1	0	endogenous,in-vitro	CCAFHM
CCCCCCNC(=O)n1cc(NC)c(=O)[n-]c1=O	ZINC000095586331	185013099	/nfs/dbraw/zinc/01/30/99/185013099.db2.gz	AKFJHMZDHFEJLR-UHFFFAOYSA-N	-1	3	268.317	0.716	1	0		CCAFHM
CCCN1C(=O)N(C)[C@@H](N([O-])C(=O)NC)C1(C)C	ZINC000000549419	283313225	/nfs/dbraw/zinc/31/32/25/283313225.db2.gz	DKRLPDICOVAYRT-QMMMGPOBSA-N	-1	3	258.322	0.899	3	0		CCAFHM
O=C1c2ccc([O-])cc2CN1[C@@H]1CCC(=O)NC1=O	ZINC000095582166	185011327	/nfs/dbraw/zinc/01/13/27/185011327.db2.gz	JJUMFQGCQAUIFH-SNVBAGLBSA-N	-1	3	260.249	0.153	1	0		CCAFHM
O=c1[nH]c(-c2ccc(-c3nnn[n-]3)cc2)ccc1O	ZINC000096940254	185134130	/nfs/dbraw/zinc/13/41/30/185134130.db2.gz	IFDWRQDNGXZSQK-UHFFFAOYSA-N	-1	3	255.237	0.928	1	0		CCAFHM
O=c1[nH]c(-c2ccc(-c3nn[n-]n3)cc2)ccc1O	ZINC000096940254	185134131	/nfs/dbraw/zinc/13/41/31/185134131.db2.gz	IFDWRQDNGXZSQK-UHFFFAOYSA-N	-1	3	255.237	0.928	1	0		CCAFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)O[C@@H]([C@](C)(O)CO)C3	ZINC000013404334	560216437	/nfs/dbraw/zinc/21/64/37/560216437.db2.gz	PSGAVROSGDHSNP-IUODEOHRSA-N	-1	3	292.287	0.854	1	0	biogenic,in-vitro	CCAFHM
CSCCC(NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000100386819	574417645	/nfs/dbraw/zinc/41/76/45/574417645.db2.gz	OFEWLSQQFGZXQS-QMMMGPOBSA-N	-1	3	286.357	0.434	1	0	endogenous,in-vitro	CCAFHM
CSCCC(NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000100386819	574417646	/nfs/dbraw/zinc/41/76/46/574417646.db2.gz	OFEWLSQQFGZXQS-QMMMGPOBSA-N	-1	3	286.357	0.434	1	0	endogenous,in-vitro	CCAFHM
CC[C@H](C)[C@@H](N)C(=O)NC(CCC(N)=O)C(=O)[O-]	ZINC000100387020	574417783	/nfs/dbraw/zinc/41/77/83/574417783.db2.gz	FCHBEKZLXKCNHS-IMTBSYHQSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
O=C1c2cc([O-])ccc2CN1[C@@H]1CCC(=O)NC1=O	ZINC000095582449	185012971	/nfs/dbraw/zinc/01/29/71/185012971.db2.gz	VOTVGZSDHZUGID-SNVBAGLBSA-N	-1	3	260.249	0.153	1	0		CCAFHM
COc1nc2c([n-]1)c(=O)n(C)c(=O)n2CC(C)C	ZINC000038437156	174141632	/nfs/dbraw/zinc/14/16/32/174141632.db2.gz	ZJXVOPCDMXSVJP-UHFFFAOYSA-N	-1	3	252.274	0.088	1	0		CCAFHM
COc1nc2c([O-])n(C)c(=O)n(CC(C)C)c-2n1	ZINC000038437156	174141633	/nfs/dbraw/zinc/14/16/33/174141633.db2.gz	ZJXVOPCDMXSVJP-UHFFFAOYSA-N	-1	3	252.274	0.088	1	0		CCAFHM
COc1nc2c([n-]1)n(CC(C)C)c(=O)n(C)c2=O	ZINC000038437156	174141635	/nfs/dbraw/zinc/14/16/35/174141635.db2.gz	ZJXVOPCDMXSVJP-UHFFFAOYSA-N	-1	3	252.274	0.088	1	0		CCAFHM
Nc1nc2ncccc2n2c(=O)n(-c3ccc([O-])cc3)nc12	ZINC000040403880	174253612	/nfs/dbraw/zinc/25/36/12/174253612.db2.gz	ZAJOYJVAHSHWOQ-UHFFFAOYSA-N	-1	3	294.274	0.716	1	0		CCAFHM
O=c1[n-]cnc2c1ncn2[C@H]1C=C(F)[C@H](CO)C1	ZINC000040767461	174398332	/nfs/dbraw/zinc/39/83/32/174398332.db2.gz	RLJBELLYIGTAHI-NKWVEPMBSA-N	-1	3	250.233	0.526	1	0		CCAFHM
CC[C@H](C)[C@@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100387051	574417808	/nfs/dbraw/zinc/41/78/08/574417808.db2.gz	WVMBFBVDIYYCLL-OIBJUYFYSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
O=c1[n-]cnc2c1ncn2[C@@H]1C=C(F)[C@@H](CO)C1	ZINC000040587688	174345657	/nfs/dbraw/zinc/34/56/57/174345657.db2.gz	RLJBELLYIGTAHI-RQJHMYQMSA-N	-1	3	250.233	0.526	1	0		CCAFHM
C[C@H](O)C(NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069488354	574416385	/nfs/dbraw/zinc/41/63/85/574416385.db2.gz	ZJKREHLRRZTLKL-OIBJUYFYSA-N	-1	3	282.296	0.044	1	0	endogenous,in-vitro	CCAFHM
CC[C@@H](C)[C@@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100387049	574417790	/nfs/dbraw/zinc/41/77/90/574417790.db2.gz	WVMBFBVDIYYCLL-GMSGAONNSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
C[C@H](N)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)[O-]	ZINC000085589828	571785294	/nfs/dbraw/zinc/78/52/94/571785294.db2.gz	CBUUWFVFZSZOAK-UFBFGSQYSA-N	-1	3	275.308	0.627	1	0	endogenous,in-man	CCAFHM
C[C@@H](O)C(NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069488352	574416383	/nfs/dbraw/zinc/41/63/83/574416383.db2.gz	ZJKREHLRRZTLKL-GMSGAONNSA-N	-1	3	282.296	0.044	1	0	endogenous,in-vitro	CCAFHM
CCc1cnc(C)nc1NCCc1nc(N)cc(=O)[n-]1	ZINC000065528939	622606616	/nfs/dbraw/zinc/60/66/16/622606616.db2.gz	UBPWMSNWKFDSTC-UHFFFAOYSA-N	-1	3	274.328	0.668	1	0		CCAFHM
O=C1c2c(cccc2[O-])CN1[C@H]1CCC(=O)NC1=O	ZINC000095581436	185011176	/nfs/dbraw/zinc/01/11/76/185011176.db2.gz	ZHINEOZMGPJDNM-QMMMGPOBSA-N	-1	3	260.249	0.153	1	0		CCAFHM
CC(C)(C)OC(=O)N[C@H](Cc1ccc([O-])cn1)C(N)=O	ZINC000005498848	170104646	/nfs/dbraw/zinc/10/46/46/170104646.db2.gz	YCZVZWXCDBYZMA-SNVBAGLBSA-N	-1	3	281.312	0.708	1	0		CCAFHM
O=c1[n-]cnc2c1ncn2[C@@H]1C=C(F)[C@H](CO)S1	ZINC000029395204	171596906	/nfs/dbraw/zinc/59/69/06/171596906.db2.gz	HCYYLVWPZVQFTG-BQBZGAKWSA-N	-1	3	268.273	0.579	1	0		CCAFHM
CSCCC(NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000100386817	574417650	/nfs/dbraw/zinc/41/76/50/574417650.db2.gz	OFEWLSQQFGZXQS-MRVPVSSYSA-N	-1	3	286.357	0.434	1	0	endogenous,in-vitro	CCAFHM
CSCCC(NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000100386817	574417651	/nfs/dbraw/zinc/41/76/51/574417651.db2.gz	OFEWLSQQFGZXQS-MRVPVSSYSA-N	-1	3	286.357	0.434	1	0	endogenous,in-vitro	CCAFHM
[O-]N=c1nc[nH]c2c1ncn2[C@H]1O[C@@H](CO)C[C@H]1F	ZINC000005847102	170146845	/nfs/dbraw/zinc/14/68/45/170146845.db2.gz	LZVXBWXUFTXESA-DGAHNEANSA-N	-1	3	269.236	0.245	1	0		CCAFHM
O=C([O-])[C@@H]1Cc2cc(CCc3nn[n-]n3)ccc2C[NH2+]1	ZINC000026289272	171478309	/nfs/dbraw/zinc/47/83/09/171478309.db2.gz	LARWZWKWUAHZKD-NSHDSACASA-N	-1	3	273.296	0.084	1	0		CCAFHM
O=C1N=C(N2CCOCC2)NC1=Cc1ccccc1[O-]	ZINC000006513699	170208268	/nfs/dbraw/zinc/20/82/68/170208268.db2.gz	LXDQCWZMGYHSRZ-LUAWRHEFSA-N	-1	3	273.292	0.551	1	0		CCAFHM
CNC(=O)c1nc(-c2cccc(-c3nnn[n-]3)c2)cnc1N	ZINC000038602583	174149350	/nfs/dbraw/zinc/14/93/50/174149350.db2.gz	PLUDSXLHMVRUKP-UHFFFAOYSA-N	-1	3	296.294	0.266	1	0	in-vitro	CCAFHM
CNC(=O)c1nc(-c2cccc(-c3nn[n-]n3)c2)cnc1N	ZINC000038602583	174149352	/nfs/dbraw/zinc/14/93/52/174149352.db2.gz	PLUDSXLHMVRUKP-UHFFFAOYSA-N	-1	3	296.294	0.266	1	0	in-vitro	CCAFHM
CN1C(=O)[N-]C(=O)[C@]12CCOc1ccc(F)cc12	ZINC000049145691	523719974	/nfs/dbraw/zinc/71/99/74/523719974.db2.gz	NOACKIXIDBKMEH-GFCCVEGCSA-N	-1	3	250.229	0.985	1	0		CCAFHM
C[C@H](N)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000100385868	574417290	/nfs/dbraw/zinc/41/72/90/574417290.db2.gz	PHJADYZBDIQQHC-ZETCQYMHSA-N	-1	3	252.270	0.683	1	0	endogenous,in-vitro	CCAFHM
O=C([O-])[C@H]1C[C@@H]2C[C@H](Cc3nn[n-]n3)CC[C@@H]2C[NH2+]1	ZINC000005134523	170069482	/nfs/dbraw/zinc/06/94/82/170069482.db2.gz	ACTONBBIVMTUAJ-DOLQZWNJSA-N	-1	3	265.317	0.221	1	0	in-vitro	CCAFHM
O=C([O-])[C@H]1C[C@@H]2C[C@H](Cc3nnn[n-]3)CC[C@@H]2C[NH2+]1	ZINC000005134523	170069483	/nfs/dbraw/zinc/06/94/83/170069483.db2.gz	ACTONBBIVMTUAJ-DOLQZWNJSA-N	-1	3	265.317	0.221	1	0	in-vitro	CCAFHM
CC(C)C(NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000069487050	574415958	/nfs/dbraw/zinc/41/59/58/574415958.db2.gz	KJIMLHLXUGGYBA-QMMMGPOBSA-N	-1	3	254.290	0.337	1	0	endogenous,in-vitro	CCAFHM
CC(C)C(NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000069487050	574415959	/nfs/dbraw/zinc/41/59/59/574415959.db2.gz	KJIMLHLXUGGYBA-QMMMGPOBSA-N	-1	3	254.290	0.337	1	0	endogenous,in-vitro	CCAFHM
CC[C@@H](C)[C@@H]([NH3+])C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069487138	574415972	/nfs/dbraw/zinc/41/59/72/574415972.db2.gz	SEORUFKHRDTKBJ-HZGVNTEJSA-N	-1	3	260.290	0.626	1	0	endogenous,in-vitro	CCAFHM
COC(=O)c1[n-]nc2c1C(=O)N(Cc1ccccc1)C2=O	ZINC000005126290	170068452	/nfs/dbraw/zinc/06/84/52/170068452.db2.gz	OCABSUZPAMPUGH-UHFFFAOYSA-N	-1	3	285.259	0.993	3	0		CCAFHM
COc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1OC	ZINC000005720821	170132828	/nfs/dbraw/zinc/13/28/28/170132828.db2.gz	UEVGZSZRFXMFRJ-MRVPVSSYSA-N	-1	3	250.254	0.454	1	0		CCAFHM
COc1cc2c(cc1[O-])N=C[C@H]1C[C@H](O)CN1C2=O	ZINC000013385602	560216336	/nfs/dbraw/zinc/21/63/36/560216336.db2.gz	JEWCIEJYMIAHBW-SFYZADRCSA-N	-1	3	262.265	0.692	1	0	in-vitro	CCAFHM
C[C@H](O)C(NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-]	ZINC000069487719	574416180	/nfs/dbraw/zinc/41/61/80/574416180.db2.gz	WUEOIAFQRDKERE-WPRPVWTQSA-N	-1	3	266.297	0.339	1	0	endogenous,in-vitro	CCAFHM
CC[C@@H](C)[C@H](N)C(=O)NC(CCC(N)=O)C(=O)[O-]	ZINC000100387023	574417812	/nfs/dbraw/zinc/41/78/12/574417812.db2.gz	FCHBEKZLXKCNHS-MUWHJKNJSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
CC(C)[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)o1	ZINC000006973982	170259977	/nfs/dbraw/zinc/25/99/77/170259977.db2.gz	GXJCUZREFOAFLJ-UHFFFAOYSA-N	-1	3	283.309	0.717	1	0		CCAFHM
COc1cc2c(cc1[O-])N=C[C@@H]1C[C@H](O)CN1C2=O	ZINC000006017784	560204342	/nfs/dbraw/zinc/20/43/42/560204342.db2.gz	JEWCIEJYMIAHBW-YUMQZZPRSA-N	-1	3	262.265	0.692	1	0	in-vitro	CCAFHM
CC(C)CC(NC(=O)[C@@H](N)CCC(N)=O)C(=O)[O-]	ZINC000069486749	574415846	/nfs/dbraw/zinc/41/58/46/574415846.db2.gz	OXUXRXWPHVYMHV-ZETCQYMHSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
CC[C@H](C)C(NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000069487000	574415987	/nfs/dbraw/zinc/41/59/87/574415987.db2.gz	HWHMVGRYTBHFPG-IONNQARKSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
CC[C@H](C)C(NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000069487000	574415988	/nfs/dbraw/zinc/41/59/88/574415988.db2.gz	HWHMVGRYTBHFPG-IONNQARKSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
CNc1nc([O-])c([C@@H](O)c2c[nH]c3ccccc32)o1	ZINC000028770121	171574368	/nfs/dbraw/zinc/57/43/68/171574368.db2.gz	AINJGKYELQNNLC-QWRGUYRKSA-N	-1	3	259.265	0.702	1	0		CCAFHM
O=c1[nH]cc(-c2ccc(-c3nnn[n-]3)cc2)cc1O	ZINC000096940251	185133631	/nfs/dbraw/zinc/13/36/31/185133631.db2.gz	SXUVENKRPNZKQQ-UHFFFAOYSA-N	-1	3	255.237	0.928	1	0		CCAFHM
COc1cc2c(cc1[O-])NC(=O)[C@H]1CC[C@@H](O)N1C2=O	ZINC000006017791	560204332	/nfs/dbraw/zinc/20/43/32/560204332.db2.gz	IAAKMUQTTVYMND-LDYMZIIASA-N	-1	3	278.264	0.276	1	0	in-vitro	CCAFHM
Cc1cc([O-])cc(O)c1C(=O)OCC(=O)C[C@H](C)O	ZINC000013334478	560214476	/nfs/dbraw/zinc/21/44/76/560214476.db2.gz	XPROBYNUZWGFGY-QMMMGPOBSA-N	-1	3	268.265	0.903	1	0	in-vitro	CCAFHM
CC(C)CC(NC(=O)[C@H](N)CCC(N)=O)C(=O)[O-]	ZINC000069486748	574415850	/nfs/dbraw/zinc/41/58/50/574415850.db2.gz	OXUXRXWPHVYMHV-SSDOTTSWSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
CC(NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069488266	574416306	/nfs/dbraw/zinc/41/63/06/574416306.db2.gz	DGZVAVNEGFWLFN-SNVBAGLBSA-N	-1	3	252.270	0.683	1	0	endogenous,in-vitro	CCAFHM
N[C@H](Cc1c[nH]cn1)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487022	574415962	/nfs/dbraw/zinc/41/59/62/574415962.db2.gz	BYQLFRWKUDTTOA-MRVPVSSYSA-N	-1	3	252.274	0.187	1	0	endogenous,in-vitro	CCAFHM
N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487022	574415963	/nfs/dbraw/zinc/41/59/63/574415963.db2.gz	BYQLFRWKUDTTOA-MRVPVSSYSA-N	-1	3	252.274	0.187	1	0	endogenous,in-vitro	CCAFHM
NCC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccccc1	ZINC000071329133	176123827	/nfs/dbraw/zinc/12/38/27/176123827.db2.gz	XTZYJEHDSZEADM-ONGXEEELSA-N	-1	3	266.322	0.673	1	0		CCAFHM
CC(C)C[C@@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000069487312	574416020	/nfs/dbraw/zinc/41/60/20/574416020.db2.gz	RRLRRZYVNKCFRM-SECBINFHSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
Cc1nnc2sc(Cc3sc(N)nc3[O-])nn12	ZINC000101273724	581091447	/nfs/dbraw/zinc/09/14/47/581091447.db2.gz	ZQCTWYIBQJNZCK-UHFFFAOYSA-N	-1	3	268.327	0.829	1	0		CCAFHM
N[C@@H](CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)[O-]	ZINC000042922509	174917203	/nfs/dbraw/zinc/91/72/03/174917203.db2.gz	JCDOQLSUYGEMKH-QMMMGPOBSA-N	-1	3	281.699	0.963	1	0		CCAFHM
C[C@@H]1C[C@]2(NC(=O)[N-]C2=O)c2cc(Cl)c[n+]([O-])c2O1	ZINC000029553003	581093843	/nfs/dbraw/zinc/09/38/43/581093843.db2.gz	PDGNPUKHQOYMGH-GCXOYZPQSA-N	-1	3	283.671	0.179	1	0		CCAFHM
CC[C@H](C)[C@H](N)C(=O)NC(CCC(N)=O)C(=O)[O-]	ZINC000100387027	574417774	/nfs/dbraw/zinc/41/77/74/574417774.db2.gz	FCHBEKZLXKCNHS-RCOVLWMOSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
O=C1c2cc([O-])ccc2CN1[C@H]1CCC(=O)NC1=O	ZINC000095582450	185012764	/nfs/dbraw/zinc/01/27/64/185012764.db2.gz	VOTVGZSDHZUGID-JTQLQIEISA-N	-1	3	260.249	0.153	1	0		CCAFHM
CCCC[C@H](NC(=O)[C@@H](N)CC(=O)[O-])C(=O)OCC	ZINC000028016639	171544843	/nfs/dbraw/zinc/54/48/43/171544843.db2.gz	UOYRNHYKJKISNA-IUCAKERBSA-N	-1	3	274.317	0.027	1	0		CCAFHM
N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NCC(=O)[O-]	ZINC000069486130	574415654	/nfs/dbraw/zinc/41/56/54/574415654.db2.gz	QIVBYNPDBYNOHV-SNVBAGLBSA-N	-1	3	261.281	0.239	1	0	endogenous,in-vitro	CCAFHM
O=c1[n-]cnc2c1nnn2[C@@H]1c2ccccc2C[C@H]1O	ZINC000095560772	185009526	/nfs/dbraw/zinc/00/95/26/185009526.db2.gz	LYGHQSJFSMVZEF-MWLCHTKSSA-N	-1	3	269.264	0.433	1	0		CCAFHM
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](N)CC(=O)[O-]	ZINC000027648178	171526778	/nfs/dbraw/zinc/52/67/78/171526778.db2.gz	VXJUHPWDEVGFDT-JGVFFNPUSA-N	-1	3	274.317	0.025	1	0		CCAFHM
COc1ccc2[n-]cc(C(=O)NCCO)c(=O)c2c1	ZINC000035289322	172105680	/nfs/dbraw/zinc/10/56/80/172105680.db2.gz	UZSHPAHLBZOICP-UHFFFAOYSA-N	-1	3	262.265	0.259	1	0		CCAFHM
CC(C)C[C@@H](N)C(=O)NC(CCC(N)=O)C(=O)[O-]	ZINC000100387275	574417902	/nfs/dbraw/zinc/41/79/02/574417902.db2.gz	GMWPBLTXCBPZSY-SSDOTTSWSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C)NC(=O)[N-]C1=O)C2	ZINC000049112047	525506517	/nfs/dbraw/zinc/50/65/17/525506517.db2.gz	BMHLDTHLHCGSBB-CQSZACIVSA-N	-1	3	289.291	0.249	1	0		CCAFHM
NC(=O)CCC(NC(=O)[C@H](N)Cc1ccccc1)C(=O)[O-]	ZINC000069487642	574416170	/nfs/dbraw/zinc/41/61/70/574416170.db2.gz	AIYMMZGJYHRXEN-SNVBAGLBSA-N	-1	3	293.323	0.223	1	0	endogenous,in-vitro	CCAFHM
CN1C(=O)Nc2ccc(Cl)cc2[C@@]12NC(=O)[N-]C2=O	ZINC000005966017	170163355	/nfs/dbraw/zinc/16/33/55/170163355.db2.gz	QBRYBUXHTFUNRQ-LLVKDONJSA-N	-1	3	280.671	0.810	1	0		CCAFHM
CC[C@@H](C)[C@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100387054	574417779	/nfs/dbraw/zinc/41/77/79/574417779.db2.gz	WVMBFBVDIYYCLL-XCBNKYQSSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
CC(C)[C@@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100388810	574418429	/nfs/dbraw/zinc/41/84/29/574418429.db2.gz	HNYOBYSEYZSUQB-SECBINFHSA-N	-1	3	254.290	0.337	1	0	endogenous,in-vitro	CCAFHM
CC(C)CC(NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000069487005	574415974	/nfs/dbraw/zinc/41/59/74/574415974.db2.gz	WAGLMZKRKBNFSN-SECBINFHSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
CC(C)CC(NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000069487005	574415975	/nfs/dbraw/zinc/41/59/75/574415975.db2.gz	WAGLMZKRKBNFSN-SECBINFHSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
N[C@@H](Cc1c[nH]cn1)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487025	574415976	/nfs/dbraw/zinc/41/59/76/574415976.db2.gz	BYQLFRWKUDTTOA-QMMMGPOBSA-N	-1	3	252.274	0.187	1	0	endogenous,in-vitro	CCAFHM
N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487025	574415977	/nfs/dbraw/zinc/41/59/77/574415977.db2.gz	BYQLFRWKUDTTOA-QMMMGPOBSA-N	-1	3	252.274	0.187	1	0	endogenous,in-vitro	CCAFHM
O=C1c2ccc([O-])cc2CN1[C@H]1CCC(=O)NC1=O	ZINC000095582167	185011486	/nfs/dbraw/zinc/01/14/86/185011486.db2.gz	JJUMFQGCQAUIFH-JTQLQIEISA-N	-1	3	260.249	0.153	1	0		CCAFHM
Cc1c2ccccc2[nH]c1C(=O)NC[C@@H](N)C(=O)[O-]	ZINC000042921774	174917280	/nfs/dbraw/zinc/91/72/80/174917280.db2.gz	VTBJFQVLPQQQLY-SECBINFHSA-N	-1	3	261.281	0.618	1	0		CCAFHM
CC[C@H](C)C(NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000069487003	574415968	/nfs/dbraw/zinc/41/59/68/574415968.db2.gz	HWHMVGRYTBHFPG-CBAPKCEASA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
CC[C@H](C)C(NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000069487003	574415969	/nfs/dbraw/zinc/41/59/69/574415969.db2.gz	HWHMVGRYTBHFPG-CBAPKCEASA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
C[C@@H](N)C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000100385866	574417316	/nfs/dbraw/zinc/41/73/16/574417316.db2.gz	PHJADYZBDIQQHC-SSDOTTSWSA-N	-1	3	252.270	0.683	1	0	endogenous,in-vitro	CCAFHM
COC(=O)C1(NC(=O)[C@@H](N)CC(=O)[O-])CCCCCC1	ZINC000029398250	171597081	/nfs/dbraw/zinc/59/70/81/171597081.db2.gz	PZGNDILRRGAKIQ-VIFPVBQESA-N	-1	3	286.328	0.171	1	0		CCAFHM
Cc1cc([O-])c2c(c1)O[C@]1(C)[C@@H](O)[C@@H](O)C[C@H](O)[C@@H]1C2=O	ZINC000035270244	172092960	/nfs/dbraw/zinc/09/29/60/172092960.db2.gz	UMAJXYGKDGKWLP-AOZIVVCUSA-N	-1	3	294.303	0.137	1	0		CCAFHM
CC(=O)N1[C@H](C(=O)[O-])CSC12CCN(C)CC2	ZINC000006750015	170239893	/nfs/dbraw/zinc/23/98/93/170239893.db2.gz	ROOOHELLGYPUGO-VIFPVBQESA-N	-1	3	258.343	0.457	1	0		CCAFHM
CC[C@H](C)[C@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100387056	574417801	/nfs/dbraw/zinc/41/78/01/574417801.db2.gz	WVMBFBVDIYYCLL-XVKPBYJWSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
NCC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccco1	ZINC000071316589	176122120	/nfs/dbraw/zinc/12/21/20/176122120.db2.gz	WXDYTQVSIHLOCQ-IMTBSYHQSA-N	-1	3	256.283	0.266	1	0		CCAFHM
CC(C)C[C@H](N)C(=O)NC(CCC(N)=O)C(=O)[O-]	ZINC000100387282	574417898	/nfs/dbraw/zinc/41/78/98/574417898.db2.gz	GMWPBLTXCBPZSY-ZETCQYMHSA-N	-1	3	259.306	0.027	1	0	endogenous,in-vitro	CCAFHM
CC(C)CC(NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000069487008	574415970	/nfs/dbraw/zinc/41/59/70/574415970.db2.gz	WAGLMZKRKBNFSN-VIFPVBQESA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
CC(C)CC(NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000069487008	574415971	/nfs/dbraw/zinc/41/59/71/574415971.db2.gz	WAGLMZKRKBNFSN-VIFPVBQESA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
Cc1cc([O-])c2c(c1)O[C@@]1(C)[C@@H](O)CC[C@H](O)[C@]1(O)C2=O	ZINC000071296760	176112091	/nfs/dbraw/zinc/11/20/91/176112091.db2.gz	GBAMGKOMMOEKIB-GVARAGBVSA-N	-1	3	294.303	0.281	1	0		CCAFHM
CSCC[C@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100387595	574417986	/nfs/dbraw/zinc/41/79/86/574417986.db2.gz	BLWPKMZCXZNWMJ-QMMMGPOBSA-N	-1	3	286.357	0.434	1	0	endogenous,in-vitro	CCAFHM
CSCC[C@H](N)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]	ZINC000100387595	574417987	/nfs/dbraw/zinc/41/79/87/574417987.db2.gz	BLWPKMZCXZNWMJ-QMMMGPOBSA-N	-1	3	286.357	0.434	1	0	endogenous,in-vitro	CCAFHM
O=c1[n-]cnc2c1nnn2[C@@H]1c2ccccc2C[C@@H]1O	ZINC000095563188	185009387	/nfs/dbraw/zinc/00/93/87/185009387.db2.gz	LYGHQSJFSMVZEF-GXSJLCMTSA-N	-1	3	269.264	0.433	1	0		CCAFHM
C[C@H](O)C(NC(=O)[C@H](N)Cc1ccccc1)C(=O)[O-]	ZINC000069487715	574416187	/nfs/dbraw/zinc/41/61/87/574416187.db2.gz	WUEOIAFQRDKERE-WCBMZHEXSA-N	-1	3	266.297	0.339	1	0	endogenous,in-vitro	CCAFHM
O=c1[n-]cnc2c1ncn2[C@@H]1C[C@@H](CO)C(F)(F)C1	ZINC000040584580	174345724	/nfs/dbraw/zinc/34/57/24/174345724.db2.gz	NCSXESRQPZSCPZ-NKWVEPMBSA-N	-1	3	270.239	0.698	1	0		CCAFHM
CCCCCCNC(=O)n1cc(CO)c(=O)[n-]c1=O	ZINC000095586691	185012332	/nfs/dbraw/zinc/01/23/32/185012332.db2.gz	IXSXFLYNLHCSFO-UHFFFAOYSA-N	-1	3	269.301	0.167	1	0		CCAFHM
CC(C)[NH2+]C[C@H](O)c1ccc([N-]S(C)(=O)=O)c([O-])c1	ZINC000005420128	170097275	/nfs/dbraw/zinc/09/72/75/170097275.db2.gz	WBYKOYHCMBYVTF-LBPRGKRZSA-N	-1	3	288.369	0.795	1	0		CCAFHM
NCC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)[O-]	ZINC000049067562	527156784	/nfs/dbraw/zinc/15/67/84/527156784.db2.gz	DBINKRDLQRSFIM-LBPRGKRZSA-N	-1	3	273.292	0.465	1	0		CCAFHM
CCOC(=O)N1CCN(c2c(C)nc(C)[n-]c2=O)CC1	ZINC000017256899	535778758	/nfs/dbraw/zinc/77/87/58/535778758.db2.gz	YBHRBZROUHKOKW-UHFFFAOYSA-N	-1	3	280.328	0.665	1	0		CCAFHM
N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NCC(=O)[O-]	ZINC000069486131	574415682	/nfs/dbraw/zinc/41/56/82/574415682.db2.gz	QIVBYNPDBYNOHV-JTQLQIEISA-N	-1	3	261.281	0.239	1	0	endogenous,in-vitro	CCAFHM
C[C@@]12C[C@H](C(=O)[O-])[NH2+]C[C@H]1CC[C@H](Cc1nn[n-]n1)C2	ZINC000027103061	171507405	/nfs/dbraw/zinc/50/74/05/171507405.db2.gz	XDMRPRFRQARXDK-VWMGYNLJSA-N	-1	3	279.344	0.611	1	0		CCAFHM
C[C@@]12C[C@H](C(=O)[O-])[NH2+]C[C@H]1CC[C@H](Cc1nnn[n-]1)C2	ZINC000027103061	171507406	/nfs/dbraw/zinc/50/74/06/171507406.db2.gz	XDMRPRFRQARXDK-VWMGYNLJSA-N	-1	3	279.344	0.611	1	0		CCAFHM
NC(=O)CC[C@@H](N)C(=O)NC(Cc1ccccc1)C(=O)[O-]	ZINC000100386478	574417548	/nfs/dbraw/zinc/41/75/48/574417548.db2.gz	HJEXERWQHBGDBT-SNVBAGLBSA-N	-1	3	293.323	0.223	1	0	endogenous,in-vitro	CCAFHM
Cc1nc(N)[n-]c(=O)c1CCC(=O)OCC(C)C	ZINC000008772779	170355278	/nfs/dbraw/zinc/35/52/78/170355278.db2.gz	WPQFKPIJSYXSPB-UHFFFAOYSA-N	-1	3	253.302	0.792	3	0		CCAFHM
NCC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccco1	ZINC000071316590	176121900	/nfs/dbraw/zinc/12/19/00/176121900.db2.gz	WXDYTQVSIHLOCQ-RCOVLWMOSA-N	-1	3	256.283	0.266	1	0		CCAFHM
C[C@@H](O)C(NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-]	ZINC000069487717	574416185	/nfs/dbraw/zinc/41/61/85/574416185.db2.gz	WUEOIAFQRDKERE-SCZZXKLOSA-N	-1	3	266.297	0.339	1	0	endogenous,in-vitro	CCAFHM
CC(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069488267	574416294	/nfs/dbraw/zinc/41/62/94/574416294.db2.gz	DGZVAVNEGFWLFN-JTQLQIEISA-N	-1	3	252.270	0.683	1	0	endogenous,in-vitro	CCAFHM
O=C1c2c(cccc2[O-])CN1[C@@H]1CCC(=O)NC1=O	ZINC000095581435	185011023	/nfs/dbraw/zinc/01/10/23/185011023.db2.gz	ZHINEOZMGPJDNM-MRVPVSSYSA-N	-1	3	260.249	0.153	1	0		CCAFHM
COc1cc2c(cc1[O-])NC(=O)[C@@H]1CCCN1C2=O	ZINC000006004062	170167410	/nfs/dbraw/zinc/16/74/10/170167410.db2.gz	COBSHTCVQBUXRU-VIFPVBQESA-N	-1	3	262.265	0.958	1	0		CCAFHM
CC(=O)N1[C@@H](C(=O)[O-])CSC12CCN(C)CC2	ZINC000006750016	170239837	/nfs/dbraw/zinc/23/98/37/170239837.db2.gz	ROOOHELLGYPUGO-SECBINFHSA-N	-1	3	258.343	0.457	1	0		CCAFHM
O=C(C=Cc1cccc(F)c1)NN1CC(=O)[N-]C1=O	ZINC000039199386	174165899	/nfs/dbraw/zinc/16/58/99/174165899.db2.gz	SKKIHJQDGDPANN-SNAWJCMRSA-N	-1	3	263.228	0.422	1	0		CCAFHM
OC[C@H]1O[C@@H](n2ccc3c2nc[n-]c3=S)C[C@@H]1O	ZINC000095562084	185009057	/nfs/dbraw/zinc/00/90/57/185009057.db2.gz	INMFTGDYFUIBAO-DJLDLDEBSA-N	-1	3	267.310	0.735	1	0		CCAFHM
NC(=O)c1cc(S(=O)(=O)[N-]C2CCCCC2)co1	ZINC000004034956	184529798	/nfs/dbraw/zinc/52/97/98/184529798.db2.gz	AUHDXKNXGUGUJA-UHFFFAOYSA-N	-1	3	272.326	0.990	3	0		CCAFHM
O=C([N-]N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1cccnc1	ZINC000004863097	170032402	/nfs/dbraw/zinc/03/24/02/170032402.db2.gz	AMIPRWQADJMDPA-RBLKWDMZSA-N	-1	3	283.287	0.534	1	0		CCAFHM
Cn1c2nc(-c3ccccc3)n([O-])c2c(=O)n(C)c1=O	ZINC000005504326	170105513	/nfs/dbraw/zinc/10/55/13/170105513.db2.gz	OPDYNQABGJZOPS-UHFFFAOYSA-N	-1	3	272.264	0.338	1	0		CCAFHM
COc1ccc2c(c1)C(=O)N(C[C@]1(C)NC(=O)[N-]C1=O)C2	ZINC000049112046	525508756	/nfs/dbraw/zinc/50/87/56/525508756.db2.gz	BMHLDTHLHCGSBB-AWEZNQCLSA-N	-1	3	289.291	0.249	1	0		CCAFHM
NC(=O)CCC(NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-]	ZINC000069487645	574416158	/nfs/dbraw/zinc/41/61/58/574416158.db2.gz	AIYMMZGJYHRXEN-JTQLQIEISA-N	-1	3	293.323	0.223	1	0	endogenous,in-vitro	CCAFHM
COC(=O)c1ccc([O-])c(C[C@H](O)C(C)(C)O)c1	ZINC000012153245	560106493	/nfs/dbraw/zinc/10/64/93/560106493.db2.gz	ABFHVQPVDSMGNR-NSHDSACASA-N	-1	3	254.282	0.853	1	0	endogenous,in-man	CCAFHM
CC[C@@H](C)C(NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000069487001	574415993	/nfs/dbraw/zinc/41/59/93/574415993.db2.gz	HWHMVGRYTBHFPG-APPZFPTMSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
CC[C@@H](C)C(NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000069487001	574415994	/nfs/dbraw/zinc/41/59/94/574415994.db2.gz	HWHMVGRYTBHFPG-APPZFPTMSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
COC(=O)c1ccc([O-])c(C[C@@H](O)C(C)(C)O)c1	ZINC000012153244	560106521	/nfs/dbraw/zinc/10/65/21/560106521.db2.gz	ABFHVQPVDSMGNR-LLVKDONJSA-N	-1	3	254.282	0.853	1	0	endogenous,in-man	CCAFHM
CC[C@@H](C)C(NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000069486997	574415989	/nfs/dbraw/zinc/41/59/89/574415989.db2.gz	HWHMVGRYTBHFPG-VXNVDRBHSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
CC[C@@H](C)C(NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000069486997	574415990	/nfs/dbraw/zinc/41/59/90/574415990.db2.gz	HWHMVGRYTBHFPG-VXNVDRBHSA-N	-1	3	268.317	0.727	1	0	endogenous,in-vitro	CCAFHM
[O-]N=c1nc[nH]c2c1ncn2[C@H]1O[C@@H](CO)C[C@@H]1F	ZINC000005847111	170146726	/nfs/dbraw/zinc/14/67/26/170146726.db2.gz	LZVXBWXUFTXESA-KORWRZNCSA-N	-1	3	269.236	0.245	1	0		CCAFHM
C[C@H](O)C(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069488360	574416379	/nfs/dbraw/zinc/41/63/79/574416379.db2.gz	ZJKREHLRRZTLKL-XVKPBYJWSA-N	-1	3	282.296	0.044	1	0	endogenous,in-vitro	CCAFHM
NC(=O)CC[C@H](N)C(=O)NC(Cc1ccccc1)C(=O)[O-]	ZINC000100386482	574417572	/nfs/dbraw/zinc/41/75/72/574417572.db2.gz	HJEXERWQHBGDBT-JTQLQIEISA-N	-1	3	293.323	0.223	1	0	endogenous,in-vitro	CCAFHM
COc1cc([O-])c2c(c1)[C@@H](O)[C@@]1(O)COC[C@H]1C2=O	ZINC000013373112	170547298	/nfs/dbraw/zinc/54/72/98/170547298.db2.gz	OZRJQAUMVPSUQF-ZEGGKSINSA-N	-1	3	266.249	0.008	1	0		CCAFHM
COc1cc(Cc2nnn[n-]2)cc(OC)c1OC	ZINC000006821897	170246627	/nfs/dbraw/zinc/24/66/27/170246627.db2.gz	GZOSOKQQIGGSQJ-UHFFFAOYSA-N	-1	3	250.258	0.816	1	0		CCAFHM
COc1cc(Cc2nn[n-]n2)cc(OC)c1OC	ZINC000006821897	170246628	/nfs/dbraw/zinc/24/66/28/170246628.db2.gz	GZOSOKQQIGGSQJ-UHFFFAOYSA-N	-1	3	250.258	0.816	1	0		CCAFHM