smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1c([O-])c(C#N)ccc1CC(=O)[O-]	ZINC000396157390	344629047	/nfs/dbraw/zinc/62/90/47/344629047.db2.gz	YVHUFLRPFAMABQ-UHFFFAOYSA-N	-2	3	205.213	1.453	10	30		BDEEHL
N#Cc1cc([O-])c(CC(=O)[O-])c(OC(F)F)c1	ZINC000514273824	344911469	/nfs/dbraw/zinc/91/14/69/344911469.db2.gz	RAEOAZKQSDDZKZ-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
N#Cc1cc([O-])cc(CC(=O)[O-])c1C(F)(F)F	ZINC000575392160	386964913	/nfs/dbraw/zinc/96/49/13/386964913.db2.gz	NWFMWNBJMVIDDC-UHFFFAOYSA-N	-2	3	245.156	1.910	10	30		BDEEHL
N#Cc1ccc(OC(F)F)c([O-])c1CC(=O)[O-]	ZINC000575386566	386948938	/nfs/dbraw/zinc/94/89/38/386948938.db2.gz	ZDXDPDLONJQOIJ-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
O=C([O-])[C@@H](CS)/N=C/c1ccccc1[O-]	ZINC000584624324	358292633	/nfs/dbraw/zinc/29/26/33/358292633.db2.gz	WMGISZLOHLGICN-ITXLNXHTSA-N	-2	3	225.269	1.194	10	30		BDEEHL
N#Cc1c([O-])ccc(C(=O)[O-])c1OC(F)(F)F	ZINC000575391923	388598069	/nfs/dbraw/zinc/59/80/69/388598069.db2.gz	VVEJLYVXFVJKFA-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
CC1=C([O-])C(=O)c2c(C=O)c(Cl)[n-]c2C1=O	ZINC000004622290	168088247	/nfs/dbraw/zinc/08/82/47/168088247.db2.gz	OMXBQKCIQLIDJH-UHFFFAOYSA-N	-2	3	239.614	1.535	10	30		BDEEHL
CC1=C([O-])c2[n-]c(Cl)c(C=O)c2C(=O)C1=O	ZINC000004622290	168088250	/nfs/dbraw/zinc/08/82/50/168088250.db2.gz	OMXBQKCIQLIDJH-UHFFFAOYSA-N	-2	3	239.614	1.535	10	30		BDEEHL
N#Cc1c([O-])ccc(OC(F)(F)F)c1C(=O)[O-]	ZINC000514271863	344910660	/nfs/dbraw/zinc/91/06/60/344910660.db2.gz	VAXLILKVJQVQLR-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
N#Cc1c([O-])c(OC(F)F)ccc1CC(=O)[O-]	ZINC000575386060	386947967	/nfs/dbraw/zinc/94/79/67/386947967.db2.gz	ISWOCNKTACQGMZ-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
O=C([O-])C(=O)C=C([O-])c1ccccc1F	ZINC000101515668	187301377	/nfs/dbraw/zinc/30/13/77/187301377.db2.gz	SLIWWQKPQONUEG-UITAMQMPSA-N	-2	3	210.160	1.535	10	30		BDEEHL
N#Cc1c[n-]n2c1nc([O-])c(C1CCCC1)c2=O	ZINC000071474368	181165624	/nfs/dbraw/zinc/16/56/24/181165624.db2.gz	RONYDNCGUKCGAJ-UHFFFAOYSA-N	-2	3	244.254	1.670	10	30		BDEEHL
O=C([O-])[C@H](CS)/N=C/c1ccccc1[O-]	ZINC000584624325	358292531	/nfs/dbraw/zinc/29/25/31/358292531.db2.gz	WMGISZLOHLGICN-UASDCXGESA-N	-2	3	225.269	1.194	10	30		BDEEHL
N#Cc1cc(C(=O)[O-])cc([O-])c1OC(F)(F)F	ZINC000575391800	386963238	/nfs/dbraw/zinc/96/32/38/386963238.db2.gz	PKJAPGMZENNMHY-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
N#Cc1c([O-])ccc(C(F)(F)F)c1C(=O)[O-]	ZINC000396156931	344627984	/nfs/dbraw/zinc/62/79/84/344627984.db2.gz	IVKXUMZLDNSPSW-UHFFFAOYSA-N	-2	3	231.129	1.981	10	30		BDEEHL
N#Cc1c([O-])cc(CC(=O)[O-])cc1OC(F)F	ZINC000514275329	344911294	/nfs/dbraw/zinc/91/12/94/344911294.db2.gz	UKGJKOOVETZUIL-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
N#Cc1cc([O-])cc([O-])c1Br	ZINC000575686391	387375436	/nfs/dbraw/zinc/37/54/36/387375436.db2.gz	NBZXVLQODYHVOO-UHFFFAOYSA-N	-2	3	214.018	1.732	10	30		BDEEHL
N#Cc1ccc(C(=O)[O-])c(OC(F)(F)F)c1[O-]	ZINC000514272299	344910549	/nfs/dbraw/zinc/91/05/49/344910549.db2.gz	AWRFMEWDKMHUBL-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
N#Cc1c(C(F)(F)F)ccc([O-])c1CC(=O)[O-]	ZINC000575392364	386963469	/nfs/dbraw/zinc/96/34/69/386963469.db2.gz	WDJPARSGBIOIKK-UHFFFAOYSA-N	-2	3	245.156	1.910	10	30		BDEEHL
O=C([O-])C(=O)C=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000103924660	410917978	/nfs/dbraw/zinc/91/79/78/410917978.db2.gz	MABXQQBNSYRFTB-WEVVVXLNSA-N	-2	3	237.167	1.304	10	30		BDEEHL
CC1=C([O-])C(=O)c2cc([O-])ccc2C1=O	ZINC000073195893	168087877	/nfs/dbraw/zinc/08/78/77/168087877.db2.gz	WGEULZUVXZTPOH-UHFFFAOYSA-N	-2	3	204.181	1.603	10	30		BDEEHL
N#Cc1cc(OC(F)F)c(C(=O)[O-])cc1[O-]	ZINC000396161413	344633764	/nfs/dbraw/zinc/63/37/64/344633764.db2.gz	NRGJMJDWVDPSNG-UHFFFAOYSA-N	-2	3	229.138	1.563	10	30		BDEEHL
N#Cc1c(OC(F)F)ccc([O-])c1CC(=O)[O-]	ZINC000575386399	386949630	/nfs/dbraw/zinc/94/96/30/386949630.db2.gz	UFCYCJSUKDSSLX-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
N#Cc1c(C(F)F)ccc([O-])c1CC(=O)[O-]	ZINC000396151184	344624261	/nfs/dbraw/zinc/62/42/61/344624261.db2.gz	CCWGNWIGRWVPCT-UHFFFAOYSA-N	-2	3	227.166	1.829	10	30		BDEEHL
O=C1c2ccc([O-])cc2C(=O)C(O)=C1[O-]	ZINC000062720948	188013835	/nfs/dbraw/zinc/01/38/35/188013835.db2.gz	KSJXJDQYBZIEGQ-UHFFFAOYSA-N	-2	3	206.153	1.099	10	30		BDEEHL
O=C1c2cc([O-])ccc2C(=O)C(O)=C1[O-]	ZINC000062720948	188013836	/nfs/dbraw/zinc/01/38/36/188013836.db2.gz	KSJXJDQYBZIEGQ-UHFFFAOYSA-N	-2	3	206.153	1.099	10	30		BDEEHL
N#Cc1cc([O-])c(OC(F)F)cc1CC(=O)[O-]	ZINC000575386079	386947665	/nfs/dbraw/zinc/94/76/65/386947665.db2.gz	JUGJDJCKVRWWFW-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
N#Cc1c([O-])c(OC(F)F)ccc1C(=O)[O-]	ZINC000396166054	344635905	/nfs/dbraw/zinc/63/59/05/344635905.db2.gz	TXVUWVZAMSQCDB-UHFFFAOYSA-N	-2	3	229.138	1.563	10	30		BDEEHL
COc1c([O-])ccc2c1[n-]cc(C#N)c2=O	ZINC000095937894	388791679	/nfs/dbraw/zinc/79/16/79/388791679.db2.gz	HAAYZTOYCZNFPG-UHFFFAOYSA-N	-2	3	216.196	1.114	10	30		BDEEHL
N#Cc1c([O-])ccc(C(F)F)c1C(=O)[O-]	ZINC000396165987	344635932	/nfs/dbraw/zinc/63/59/32/344635932.db2.gz	PGBNORJNDQRTBE-UHFFFAOYSA-N	-2	3	213.139	1.900	10	30		BDEEHL
CC(C)=CC(=O)c1ccc([O-])c(O)c1[O-]	ZINC000034244834	188182764	/nfs/dbraw/zinc/18/27/64/188182764.db2.gz	GTTGSKWBPWEVQF-UHFFFAOYSA-N	-2	3	208.213	1.952	10	30		BDEEHL
N#Cc1cc([O-])c(CC(=O)[O-])cc1OC(F)F	ZINC000575386570	386949324	/nfs/dbraw/zinc/94/93/24/386949324.db2.gz	ZJLTTWWTZUIBNS-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
N#Cc1cc([O-])cc(C(=O)[O-])c1OC(F)(F)F	ZINC000575391938	388597983	/nfs/dbraw/zinc/59/79/83/388597983.db2.gz	XCEMEGOJTBUZNI-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
C=CCO[N-]C(=O)Cc1ccccc1C(=O)[O-]	ZINC000387298540	968145183	/nfs/dbraw/zinc/14/51/83/968145183.db2.gz	JJXSPOOFUHSCQO-UHFFFAOYSA-N	-2	3	235.239	1.161	10	30		BDEEHL
N#Cc1c([O-])cc(Br)cc1[O-]	ZINC000575686242	387375794	/nfs/dbraw/zinc/37/57/94/387375794.db2.gz	KGJYHBCSVNHWAS-UHFFFAOYSA-N	-2	3	214.018	1.732	10	30		BDEEHL
CCc1cc([O-])c(C#N)c(CC(=O)[O-])c1	ZINC000396153453	344625684	/nfs/dbraw/zinc/62/56/84/344625684.db2.gz	SXOHZHXNOGUYEW-UHFFFAOYSA-N	-2	3	205.213	1.453	10	30		BDEEHL
C/C(=N/[O-])c1cc2ccc([O-])cc2oc1=O	ZINC000004672640	385595601	/nfs/dbraw/zinc/59/56/01/385595601.db2.gz	SCOQMKWOBFRDBR-SDQBBNPISA-N	-2	3	219.196	1.697	10	30		BDEEHL
N#Cc1c([O-])cc([O-])cc1Br	ZINC000575684319	387363386	/nfs/dbraw/zinc/36/33/86/387363386.db2.gz	ANJFIAYRWZTLHE-UHFFFAOYSA-N	-2	3	214.018	1.732	10	30		BDEEHL
C/C(=N\OCC(=O)[O-])c1ccccc1[O-]	ZINC000169344754	187389910	/nfs/dbraw/zinc/38/99/10/187389910.db2.gz	WNTIULREFCJJGP-YRNVUSSQSA-N	-2	3	209.201	1.217	10	30		BDEEHL
CC/C=C/C(=O)c1c([O-])ccc(O)c1[O-]	ZINC000223568076	350279578	/nfs/dbraw/zinc/27/95/78/350279578.db2.gz	KLVWCQBDUHHWEE-ONEGZZNKSA-N	-2	3	208.213	1.952	10	30		BDEEHL
N#Cc1c([O-])c(OC(F)(F)F)ccc1C(=O)[O-]	ZINC000514272555	344911326	/nfs/dbraw/zinc/91/13/26/344911326.db2.gz	XITZJAZNRFEHFW-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
N#Cc1cc(C(=O)[O-])c(OC(F)(F)F)cc1[O-]	ZINC000575391194	386961753	/nfs/dbraw/zinc/96/17/53/386961753.db2.gz	AVEXTJZFRJIPOG-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
CCc1c(C#N)ccc(CC(=O)[O-])c1[O-]	ZINC000396157326	344628655	/nfs/dbraw/zinc/62/86/55/344628655.db2.gz	YPQSCIFBRMWQHL-UHFFFAOYSA-N	-2	3	205.213	1.453	10	30		BDEEHL
C#CCON=c1cc(C(=O)[O-])cc(Cl)[n-]1	ZINC000307056097	351455872	/nfs/dbraw/zinc/45/58/72/351455872.db2.gz	BHQNBVGZBGCNLK-UHFFFAOYSA-N	-2	3	226.619	1.410	10	30		BDEEHL
N#Cc1c(C(=O)[O-])ccc([O-])c1OC(F)(F)F	ZINC000575391909	386963128	/nfs/dbraw/zinc/96/31/28/386963128.db2.gz	UXMODYPGAOEOHQ-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
N#Cc1cc(C(=O)[O-])cc(OC(F)(F)F)c1[O-]	ZINC000575391772	386963337	/nfs/dbraw/zinc/96/33/37/386963337.db2.gz	OHSXRBKVALPFTF-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
COc1ccc(-c2c(C#N)[n-]c(=O)[n-]c2=O)cc1	ZINC000000058766	175030289	/nfs/dbraw/zinc/03/02/89/175030289.db2.gz	INEONSCEHRFXBG-UHFFFAOYSA-N	-2	3	243.222	1.023	10	30		BDEEHL
C=C1OC(=O)c2c([O-])cc([O-])c(C=O)c2[C@@H]1C	ZINC000013373362	362231242	/nfs/dbraw/zinc/23/12/42/362231242.db2.gz	XLKIJHXPWYIGIM-RXMQYKEDSA-N	-2	3	234.207	1.698	10	30		BDEEHL
O=C1c2cccc([O-])c2C(=O)C([O-])=C1O	ZINC000032221047	188357811	/nfs/dbraw/zinc/35/78/11/188357811.db2.gz	WUAYQLIIWNMHTP-UHFFFAOYSA-N	-2	3	206.153	1.099	10	30		BDEEHL
C=C(C)C(=O)Nc1cc(C(=O)[O-])ccc1[O-]	ZINC000164104280	384538328	/nfs/dbraw/zinc/53/83/28/384538328.db2.gz	IUAACVBQJKDMOV-UHFFFAOYSA-N	-2	3	221.212	1.605	10	30		BDEEHL
N#Cc1c([O-])ccc(Br)c1[O-]	ZINC000575687616	387373454	/nfs/dbraw/zinc/37/34/54/387373454.db2.gz	WAEDFKAOMFLUCD-UHFFFAOYSA-N	-2	3	214.018	1.732	10	30		BDEEHL
N#Cc1cc([O-])cc(OC(F)F)c1CC(=O)[O-]	ZINC000514273972	344911474	/nfs/dbraw/zinc/91/14/74/344911474.db2.gz	DVYPCFBYBJHGJN-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
N#Cc1ccc(CC(=O)[O-])c(OC(F)F)c1[O-]	ZINC000514276073	344911893	/nfs/dbraw/zinc/91/18/93/344911893.db2.gz	WLWNQBYLNSXJOQ-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
N#Cc1c([O-])[n-]c2ccc([N+](=O)[O-])cc2c1=O	ZINC000034211655	368374876	/nfs/dbraw/zinc/37/48/76/368374876.db2.gz	HFXKJHGSGAHNDQ-UHFFFAOYSA-N	-2	3	231.167	1.014	10	30		BDEEHL
N#Cc1c([O-])ccc(CC(=O)[O-])c1OC(F)F	ZINC000575385888	386947926	/nfs/dbraw/zinc/94/79/26/386947926.db2.gz	DFSCNNOUCGYYML-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
N#Cc1cc([O-])cc(OC(F)(F)F)c1C(=O)[O-]	ZINC000575391373	386958261	/nfs/dbraw/zinc/95/82/61/386958261.db2.gz	DQJSCGSXCHOLSG-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
COc1ccccc1C=NNc1n[n-]c(=S)[n-]1	ZINC000006248867	175315979	/nfs/dbraw/zinc/31/59/79/175315979.db2.gz	VSXQGJGKCLLVLG-IZZDOVSWSA-N	-2	3	249.299	1.922	10	30		BDEEHL
N#Cc1cc([O-])c(OC(F)F)c(CC(=O)[O-])c1	ZINC000575386116	386947788	/nfs/dbraw/zinc/94/77/88/386947788.db2.gz	MEEGJRIFTSVKER-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
C#CCN[C@@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000051963783	166189983	/nfs/dbraw/zinc/18/99/83/166189983.db2.gz	CAQNEVKMUSGLBE-SNVBAGLBSA-N	-2	3	239.658	1.394	10	30		BDEEHL
[O-]c1ccccc1C=Nn1cn[n-]c1=S	ZINC000056671731	183299945	/nfs/dbraw/zinc/29/99/45/183299945.db2.gz	DTKBVQPVUMQAPN-WZUFQYTHSA-N	-2	3	220.257	1.528	10	30		BDEEHL
N#Cc1c(CC(=O)[O-])ccc([O-])c1OC(F)F	ZINC000575385929	386947744	/nfs/dbraw/zinc/94/77/44/386947744.db2.gz	GOXYSYPZTSKPKR-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
CCc1cc(C#N)c([O-])cc1CC(=O)[O-]	ZINC000396144878	344618363	/nfs/dbraw/zinc/61/83/63/344618363.db2.gz	FOHNXVAXDRGIEQ-UHFFFAOYSA-N	-2	3	205.213	1.453	10	30		BDEEHL
CCc1cc(CC(=O)[O-])cc([O-])c1C#N	ZINC000396152190	344624585	/nfs/dbraw/zinc/62/45/85/344624585.db2.gz	RIJWVRGGLOAFTG-UHFFFAOYSA-N	-2	3	205.213	1.453	10	30		BDEEHL
N#Cc1cc([O-])c(CC(=O)[O-])cc1C(F)(F)F	ZINC000514274821	344911065	/nfs/dbraw/zinc/91/10/65/344911065.db2.gz	QKCAQYBCLSYTIB-UHFFFAOYSA-N	-2	3	245.156	1.910	10	30		BDEEHL
N#Cc1cc([O-])c(OC(F)(F)F)c(C(=O)[O-])c1	ZINC000575391840	386964994	/nfs/dbraw/zinc/96/49/94/386964994.db2.gz	RGNRCMGJYNKMQM-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
N#Cc1ccc(CC(=O)[O-])c([O-])c1OC(F)F	ZINC000575386132	386943743	/nfs/dbraw/zinc/94/37/43/386943743.db2.gz	MRDFVZWJTRTBDW-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
N#Cc1cc(CC(=O)[O-])cc([O-])c1OC(F)F	ZINC000575386527	386949216	/nfs/dbraw/zinc/94/92/16/386949216.db2.gz	WQMDILDMFPRQEN-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
C=CCO[N-]C(=O)CC1(CC(=O)[O-])CCCC1	ZINC000387155928	972107841	/nfs/dbraw/zinc/10/78/41/972107841.db2.gz	AQYRJGBOPORVPV-UHFFFAOYSA-N	-2	3	241.287	1.645	10	30		BDEEHL
C=C1C(=O)c2c([O-])cc([O-])cc2C(=O)C1OC	ZINC000219948362	343121377	/nfs/dbraw/zinc/12/13/77/343121377.db2.gz	MMVQTVRCJUHCSV-UHFFFAOYSA-N	-2	3	234.207	1.397	10	30	in-vitro	BDEEHL
N#Cc1c([O-])cc(C(=O)[O-])cc1OC(F)F	ZINC000396159289	344632475	/nfs/dbraw/zinc/63/24/75/344632475.db2.gz	LGTDFARDBCZJJW-UHFFFAOYSA-N	-2	3	229.138	1.563	10	30		BDEEHL
O=C([O-])CC(=O)N([O-])Cc1ccccc1Cl	ZINC000033994638	345814619	/nfs/dbraw/zinc/81/46/19/345814619.db2.gz	XNRTXUZUWQWWEH-UHFFFAOYSA-N	-2	3	243.646	1.533	10	30		BDEEHL
CC1=CO[C@@]([S-])(C(C)(C)C(=O)[O-])N1	ZINC000142099237	351328665	/nfs/dbraw/zinc/32/86/65/351328665.db2.gz	NDGGJXNEFLRLFO-MRVPVSSYSA-N	-2	3	203.263	1.162	10	30		BDEEHL
C=C(C)C(=O)Nc1ccc(C(=O)[O-])cc1[O-]	ZINC000164103730	384538545	/nfs/dbraw/zinc/53/85/45/384538545.db2.gz	JPHPTXPQIAXGHY-UHFFFAOYSA-N	-2	3	221.212	1.605	10	30		BDEEHL
N#Cc1c(N)[n-]c2ccc([O-])cc2c1=O	ZINC000521399176	411971935	/nfs/dbraw/zinc/97/19/35/411971935.db2.gz	IXTJVKIUGHWZPA-UHFFFAOYSA-N	-2	3	201.185	1.100	10	30		BDEEHL
N#Cc1cc(OC(F)F)cc([O-])c1CC(=O)[O-]	ZINC000514273645	344911369	/nfs/dbraw/zinc/91/13/69/344911369.db2.gz	IHEUDHQNOFOHRK-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
N#CC(=S)[N-]c1ccc(C(=O)[O-])cc1	ZINC000039086944	181026325	/nfs/dbraw/zinc/02/63/25/181026325.db2.gz	CMWNDKYKKBIIJL-UHFFFAOYSA-N	-2	3	206.226	1.648	10	30		BDEEHL
CCc1ccc([O-])c(CC(=O)[O-])c1C#N	ZINC000396139681	344615039	/nfs/dbraw/zinc/61/50/39/344615039.db2.gz	VMHBQPIFFKEZST-UHFFFAOYSA-N	-2	3	205.213	1.453	10	30		BDEEHL
N#CCc1c(C(=O)[O-])nc2[nH]ccc([O-])c1-2	ZINC000095937124	181047506	/nfs/dbraw/zinc/04/75/06/181047506.db2.gz	DLFGEDCVAKDRBQ-UHFFFAOYSA-N	-2	3	217.184	1.033	10	30		BDEEHL
N#Cc1cc(CC(=O)[O-])cc(OC(F)F)c1[O-]	ZINC000575386130	388458412	/nfs/dbraw/zinc/45/84/12/388458412.db2.gz	MQSUBCVSKAGPNT-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
C=CCO[N-]C(=O)CC(C)(C)CC(=O)[O-]	ZINC000387157134	972107918	/nfs/dbraw/zinc/10/79/18/972107918.db2.gz	AZDLQXDILSGIHT-UHFFFAOYSA-N	-2	3	215.249	1.111	10	30		BDEEHL
N#Cc1cc(OC(F)F)cc(CC(=O)[O-])c1[O-]	ZINC000575386121	386943341	/nfs/dbraw/zinc/94/33/41/386943341.db2.gz	MILIFEWBVWZQDX-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
N#Cc1cc(OC(F)(F)F)c(C(=O)[O-])cc1[O-]	ZINC000575391816	386963637	/nfs/dbraw/zinc/96/36/37/386963637.db2.gz	QDQLHINMXXOGGK-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
N#Cc1cc([O-])c(OC(F)(F)F)cc1C(=O)[O-]	ZINC000575391905	386963720	/nfs/dbraw/zinc/96/37/20/386963720.db2.gz	UTNZYDIXLGQKNN-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
CCc1ccc([O-])c(C#N)c1CC(=O)[O-]	ZINC000396155744	344627408	/nfs/dbraw/zinc/62/74/08/344627408.db2.gz	WJCYIDSSKACCSC-UHFFFAOYSA-N	-2	3	205.213	1.453	10	30		BDEEHL
Cc1cc([O-])cc2c1C(=O)C=C([O-])C2=O	ZINC000013335065	178200013	/nfs/dbraw/zinc/20/00/13/178200013.db2.gz	STTBYRIXKIKKPR-UHFFFAOYSA-N	-2	3	204.181	1.522	10	30		BDEEHL
N#Cc1ccc(-c2ccccc2[O-])[n-]c1=O	ZINC000138968630	361386404	/nfs/dbraw/zinc/38/64/04/361386404.db2.gz	ZFRAVSRFUCPMRD-UHFFFAOYSA-N	-2	3	212.208	1.619	10	30		BDEEHL
N#Cc1cc(OC(F)F)c(CC(=O)[O-])cc1[O-]	ZINC000514275152	344911267	/nfs/dbraw/zinc/91/12/67/344911267.db2.gz	APAPEPXYNPVRCX-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
O=C1C(Cl)=NC(Cl)=CC1=C([O-])[O-]	ZINC000306698044	350846800	/nfs/dbraw/zinc/84/68/00/350846800.db2.gz	XEYMFGRLJHFVKL-UHFFFAOYSA-N	-2	3	208.000	1.614	10	30		BDEEHL
CC1=CO[C@]([S-])(C(C)(C)C(=O)[O-])N1	ZINC000142099005	351328385	/nfs/dbraw/zinc/32/83/85/351328385.db2.gz	NDGGJXNEFLRLFO-QMMMGPOBSA-N	-2	3	203.263	1.162	10	30		BDEEHL
N#Cc1cc(Br)c([O-])cc1[O-]	ZINC000575684525	387362669	/nfs/dbraw/zinc/36/26/69/387362669.db2.gz	BJJUFDXQGVSVTJ-UHFFFAOYSA-N	-2	3	214.018	1.732	10	30		BDEEHL
N#Cc1c([O-])cc(C(=O)[O-])cc1OC(F)(F)F	ZINC000575391918	388597400	/nfs/dbraw/zinc/59/74/00/388597400.db2.gz	VNWUPLSDZZMBKZ-UHFFFAOYSA-N	-2	3	247.128	1.861	10	30		BDEEHL
N#Cc1c([O-])ccc(OC(F)F)c1CC(=O)[O-]	ZINC000575385873	386947718	/nfs/dbraw/zinc/94/77/18/386947718.db2.gz	CCLATPKBGIXNOM-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
COc1c(Cl)cc(/C=N\[O-])cc1CC(=O)[O-]	ZINC000575602408	387371304	/nfs/dbraw/zinc/37/13/04/387371304.db2.gz	OHXCKOHFUXSJPB-XGICHPGQSA-N	-2	3	243.646	1.784	10	30		BDEEHL
N#Cc1cc(/C=N/[O-])cc(Br)c1[O-]	ZINC000575603027	387373409	/nfs/dbraw/zinc/37/34/09/387373409.db2.gz	YOVRHPFWDKXAOB-NYYWCZLTSA-N	-2	3	241.044	1.834	10	30		BDEEHL
CC1=C([O-])C(=O)c2c([O-])cccc2C1=O	ZINC000000899275	168088457	/nfs/dbraw/zinc/08/84/57/168088457.db2.gz	CQDXJBJBEQPBEM-UHFFFAOYSA-N	-2	3	204.181	1.603	10	30	biogenic,in-vitro	BDEEHL
CC1=C([O-])c2cccc([O-])c2C(=O)C1=O	ZINC000000899275	168088460	/nfs/dbraw/zinc/08/84/60/168088460.db2.gz	CQDXJBJBEQPBEM-UHFFFAOYSA-N	-2	3	204.181	1.603	10	30	biogenic,in-vitro	BDEEHL
N#Cc1cc([O-])cc(CC(=O)[O-])c1OC(F)F	ZINC000575386083	386946575	/nfs/dbraw/zinc/94/65/75/386946575.db2.gz	KBRBRRQDZNMHMX-UHFFFAOYSA-N	-2	3	243.165	1.492	10	30		BDEEHL
C#CCN[C@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000051963782	166192714	/nfs/dbraw/zinc/19/27/14/166192714.db2.gz	CAQNEVKMUSGLBE-JTQLQIEISA-N	-2	3	239.658	1.394	10	30		BDEEHL
COc1cc2c(cc1[O-])[n-]cc(C#N)c2=O	ZINC000031777037	175018564	/nfs/dbraw/zinc/01/85/64/175018564.db2.gz	JDZVTRFAQWWKCS-UHFFFAOYSA-N	-2	3	216.196	1.114	10	30		BDEEHL