smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC1(NC(=O)CCCC(=O)[O-])CCCC1	ZINC000690718272	954675105	/nfs/dbraw/zinc/67/51/05/954675105.db2.gz	LRCCRVNXCCOQDU-UHFFFAOYSA-N	-1	0	239.315	2.246	10	30		BEEERM
Cc1cc(CN2CCC[C@@H](C#N)C2)oc1C(=O)[O-]	ZINC000694588490	976701172	/nfs/dbraw/zinc/70/11/72/976701172.db2.gz	ZTJKHMHLXNWWIG-JTQLQIEISA-N	-1	0	248.282	2.022	10	30		BEEERM
Cc1oc(CN2CCC(C#N)CC2)cc1C(=O)[O-]	ZINC000694613031	976702022	/nfs/dbraw/zinc/70/20/22/976702022.db2.gz	YSYVDRIIDUYNPF-UHFFFAOYSA-N	-1	0	248.282	2.022	10	30		BEEERM
C[C@@H](CS[C@@H](C)CCC#N)C(=O)[O-]	ZINC000695809087	976805137	/nfs/dbraw/zinc/80/51/37/976805137.db2.gz	KHFZFGKMHZDQCC-YUMQZZPRSA-N	-1	0	201.291	2.133	10	30		BEEERM
CC(C)(CSc1ccc(C#N)cn1)C(=O)[O-]	ZINC000700274088	976940729	/nfs/dbraw/zinc/94/07/29/976940729.db2.gz	PDCJZYCLUVFXDW-UHFFFAOYSA-N	-1	0	236.296	2.156	10	30		BEEERM
CC(C)(CSCC1(C#N)CC1)C(=O)[O-]	ZINC000700321290	976945384	/nfs/dbraw/zinc/94/53/84/976945384.db2.gz	YOGBIBDBSRYGCA-UHFFFAOYSA-N	-1	0	213.302	2.134	10	30		BEEERM
C[C@H](CC#N)N(C)Cc1cc(C(=O)[O-])cs1	ZINC000711376563	977537445	/nfs/dbraw/zinc/53/74/45/977537445.db2.gz	DEQZAEWHFOWGFK-MRVPVSSYSA-N	-1	0	238.312	2.180	10	30		BEEERM
C#CC(C)(C)n1c(C)cc(C(=O)[O-])c1C	ZINC000069678083	343992434	/nfs/dbraw/zinc/99/24/34/343992434.db2.gz	GKFAGWPSKQOOSQ-UHFFFAOYSA-N	-1	0	205.257	2.171	10	30		BEEERM
Cc1ccc(C#N)c(S[C@@H](C)C(=O)[O-])c1	ZINC000051578513	178366681	/nfs/dbraw/zinc/36/66/81/178366681.db2.gz	MQBXHRSSOMEUHH-QMMMGPOBSA-N	-1	0	221.281	2.432	10	30		BEEERM
Cc1ccc(C#N)cc1N[C@H](C)CC(=O)[O-]	ZINC000050430269	178367035	/nfs/dbraw/zinc/36/70/35/178367035.db2.gz	KNZBDMILCQDNDP-SECBINFHSA-N	-1	0	218.256	2.142	10	30		BEEERM
N#CCc1ccc([O-])c(Br)c1F	ZINC000216658145	342834822	/nfs/dbraw/zinc/83/48/22/342834822.db2.gz	BQXBGJRZRKMEQN-UHFFFAOYSA-N	-1	0	230.036	2.360	10	30		BEEERM
CCOC(OCC)/C(=N/[O-])c1ccccc1	ZINC000216689022	342838370	/nfs/dbraw/zinc/83/83/70/342838370.db2.gz	JEYQCYMQDUVADO-ACCUITESSA-N	-1	0	223.272	2.264	10	30		BEEERM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccccn2)c1	ZINC000012360591	342850182	/nfs/dbraw/zinc/85/01/82/342850182.db2.gz	XXWPLMSLMQTBCK-ZSOIEALJSA-N	-1	0	243.222	2.446	10	30		BEEERM
C=C(Cl)CNc1ncc(C(=O)[O-])s1	ZINC000306918093	398326989	/nfs/dbraw/zinc/32/69/89/398326989.db2.gz	ZAEFUBDTDJSMOV-UHFFFAOYSA-N	-1	0	218.665	2.006	10	30		BEEERM
C=CCc1ccc(O[C@H](C)C(=O)[O-])c(OC)c1	ZINC000022141377	187207434	/nfs/dbraw/zinc/20/74/34/187207434.db2.gz	GHBYBDHVMPNHBI-SECBINFHSA-N	-1	0	236.267	2.276	10	30		BEEERM
C=CCc1ccccc1O[C@H](C)C(=O)[O-]	ZINC000011799274	343019711	/nfs/dbraw/zinc/01/97/11/343019711.db2.gz	GJDOUGNOOOJOHU-SECBINFHSA-N	-1	0	206.241	2.267	10	30		BEEERM
C/C(=N\OCC(=O)[O-])c1cccc(Cl)c1	ZINC000169344755	187226643	/nfs/dbraw/zinc/22/66/43/187226643.db2.gz	BMHDNOOQQTVNQR-KPKJPENVSA-N	-1	0	227.647	2.165	10	30		BEEERM
C/C(=N\OCC(=O)[O-])c1ccc(Cl)s1	ZINC000169344798	187227288	/nfs/dbraw/zinc/22/72/88/187227288.db2.gz	OIIJFFOUPOBCMZ-BJMVGYQFSA-N	-1	0	233.676	2.227	10	30		BEEERM
CC(C)[C@H](Nc1ccccc1C#N)C(=O)[O-]	ZINC000037453267	187251734	/nfs/dbraw/zinc/25/17/34/187251734.db2.gz	JQWAIUWPUMZQGT-NSHDSACASA-N	-1	0	218.256	2.079	10	30		BEEERM
O=CC1=C([O-])c2cccc(Br)c2C1	ZINC000214448182	537782454	/nfs/dbraw/zinc/78/24/54/537782454.db2.gz	STFFBBBKSGPDTI-ZCFIWIBFSA-N	-1	0	239.068	2.003	10	30		BEEERM
COc1cc(C#N)c(C(=O)[O-])cc1C(F)(F)F	ZINC000514271916	343651165	/nfs/dbraw/zinc/65/11/65/343651165.db2.gz	LWOZBWRNQGIXDN-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
C[C@@H](C(=O)[O-])c1ccc(C#N)c(Cl)c1	ZINC000205012400	343696735	/nfs/dbraw/zinc/69/67/35/343696735.db2.gz	ZCESPJQJSXQBNX-ZCFIWIBFSA-N	-1	0	209.632	2.400	10	30		BEEERM
CC/C=C/CC1=C(CC(=O)[O-])CCC1=O	ZINC000085951427	571792147	/nfs/dbraw/zinc/79/21/47/571792147.db2.gz	QAAHGFINENUHAR-ONEGZZNKSA-N	-1	0	208.257	2.477	10	30	endogenous,in-man	BEEERM
Cc1ccc(C[C@H](CS)C(=O)[O-])cc1	ZINC000026963146	178651232	/nfs/dbraw/zinc/65/12/32/178651232.db2.gz	FIYUTKNWTIBLTF-SNVBAGLBSA-N	-1	0	210.298	2.168	10	30		BEEERM
CCc1cc(C(=O)[O-])c(C#N)cc1Cl	ZINC000306776253	344434712	/nfs/dbraw/zinc/43/47/12/344434712.db2.gz	YJBVUUAIJJMWME-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
N#Cc1ccc(CC(=O)[O-])c(C(F)F)c1F	ZINC000396158097	344629386	/nfs/dbraw/zinc/62/93/86/344629386.db2.gz	VHWKEINCJCZDPW-UHFFFAOYSA-N	-1	0	229.157	2.262	10	30		BEEERM
N#Cc1c(F)cc(C(=O)[O-])cc1OC(F)(F)F	ZINC000514272173	344910481	/nfs/dbraw/zinc/91/04/81/344910481.db2.gz	MSNABVCCANLZRL-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
COc1ccc(C(F)F)c(C#N)c1CC(=O)[O-]	ZINC000514274420	344911105	/nfs/dbraw/zinc/91/11/05/344911105.db2.gz	DFPWAICCQSHAAU-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1c(C(=O)[O-])ccc(C=O)c1C(F)(F)F	ZINC000514272453	344911168	/nfs/dbraw/zinc/91/11/68/344911168.db2.gz	JJQOGSGPYHWBBZ-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
Cc1c(C#N)ccc(C(=O)[O-])c1OC(F)(F)F	ZINC000514272349	344911319	/nfs/dbraw/zinc/91/13/19/344911319.db2.gz	LLEDQLOVAHZDLQ-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
CCCCCC/C=C/[C@@H](O)CC(=O)[O-]	ZINC000100173954	187300331	/nfs/dbraw/zinc/30/03/31/187300331.db2.gz	IINFTRBLONAWCQ-QROSGCPLSA-N	-1	0	200.278	2.349	10	30		BEEERM
C=C(CC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000100797347	187301857	/nfs/dbraw/zinc/30/18/57/187301857.db2.gz	GVZFSNIWFXMNSU-VQHVLOKHSA-N	-1	0	204.225	2.209	10	30		BEEERM
COC(=O)c1cc([S-])c(Cl)cc1C#N	ZINC000307601251	345844703	/nfs/dbraw/zinc/84/47/03/345844703.db2.gz	RZEJLCNLQKOQMA-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
Cc1ccc2c(c1)C([O-])=C([N+](=O)[O-])C(=O)C2(C)C	ZINC000169315798	178944708	/nfs/dbraw/zinc/94/47/08/178944708.db2.gz	LLYQBBFMRPIPIY-UHFFFAOYSA-N	-1	0	247.250	2.359	10	30		BEEERM
Cc1csc(C#CC(=O)[O-])c1Cl	ZINC000235825374	345937481	/nfs/dbraw/zinc/93/74/81/345937481.db2.gz	STFSKDAGZQWGFA-UHFFFAOYSA-N	-1	0	200.646	2.146	10	30		BEEERM
Cc1cccc2c1C(C)(C)C([O-])=C([N+](=O)[O-])C2=O	ZINC000169315800	179213790	/nfs/dbraw/zinc/21/37/90/179213790.db2.gz	JOPCEDMHPWEONI-UHFFFAOYSA-N	-1	0	247.250	2.359	10	30		BEEERM
COC(=O)c1ccc(C#N)c(Cl)c1[S-]	ZINC000307042935	351444608	/nfs/dbraw/zinc/44/46/08/351444608.db2.gz	SJSGPOYCGUKMDE-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
CCc1c(Cl)ccc(C#N)c1C(=O)[O-]	ZINC000307042210	351444988	/nfs/dbraw/zinc/44/49/88/351444988.db2.gz	QQKLBDSQCCXQOT-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
CC(C#N)=C([O-])c1nscc1Br	ZINC000404752810	352046246	/nfs/dbraw/zinc/04/62/46/352046246.db2.gz	YCDGRZIFOJBMIU-BYPYZUCNSA-N	-1	0	245.101	2.248	10	30		BEEERM
CC(C#N)=C([O-])c1nscc1Br	ZINC000404752812	352046378	/nfs/dbraw/zinc/04/63/78/352046378.db2.gz	YCDGRZIFOJBMIU-SCSAIBSYSA-N	-1	0	245.101	2.248	10	30		BEEERM
Cc1cc(CC(=O)[O-])cc(Cl)c1C#N	ZINC000307388261	352547439	/nfs/dbraw/zinc/54/74/39/352547439.db2.gz	NYOGKJNYOXMAHB-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
N#Cc1cncc(-c2ccc(C(=O)[O-])cc2)c1	ZINC000089064075	188271700	/nfs/dbraw/zinc/27/17/00/188271700.db2.gz	JGQXKDARYHQRTK-UHFFFAOYSA-N	-1	0	224.219	2.318	10	30		BEEERM
N#CCOc1ccc(Cl)cc1/C=C/C(=O)[O-]	ZINC000036895260	188278624	/nfs/dbraw/zinc/27/86/24/188278624.db2.gz	CABVXHLNSASMDO-DAFODLJHSA-N	-1	0	237.642	2.340	10	30		BEEERM
C=CCc1ccccc1N[C@H](C)C(=O)[O-]	ZINC000039259881	188282783	/nfs/dbraw/zinc/28/27/83/188282783.db2.gz	BVBFJRGOBVQUQB-SECBINFHSA-N	-1	0	205.257	2.300	10	30		BEEERM
N#CCCN(c1ccc(F)cc1C(=O)[O-])C1CC1	ZINC000042546756	188293883	/nfs/dbraw/zinc/29/38/83/188293883.db2.gz	LSJUDPMADMRQGH-UHFFFAOYSA-N	-1	0	248.257	2.406	10	30		BEEERM
O=C([O-])C#C[C@H]1CCCC[C@H]1C(F)(F)F	ZINC000129531303	353324772	/nfs/dbraw/zinc/32/47/72/353324772.db2.gz	QHOPSMPJUWCIHI-HTQZYQBOSA-N	-1	0	220.190	2.443	10	30		BEEERM
C=C[C@H](C)Sc1ncccc1C(=O)[O-]	ZINC000052140680	188332502	/nfs/dbraw/zinc/33/25/02/188332502.db2.gz	SIRPQAOTJMBLRT-ZETCQYMHSA-N	-1	0	209.270	2.446	10	30		BEEERM
N#CCCN(C/C=C/C(=O)[O-])c1ccccc1	ZINC000051859413	181037366	/nfs/dbraw/zinc/03/73/66/181037366.db2.gz	OJXQJEQQMFYBSG-XBXARRHUSA-N	-1	0	230.267	2.047	10	30		BEEERM
N#CCOc1ccc2ccccc2c1C(=O)[O-]	ZINC000035630785	181043901	/nfs/dbraw/zinc/04/39/01/181043901.db2.gz	OMHZJCSUYWFBBK-UHFFFAOYSA-N	-1	0	227.219	2.440	10	30		BEEERM
N#CCc1nc2cc(C(=O)[O-])ccc2s1	ZINC000045236279	181049663	/nfs/dbraw/zinc/04/96/63/181049663.db2.gz	HQNOIUJPIYLKJS-UHFFFAOYSA-N	-1	0	218.237	2.061	10	30		BEEERM
N#CCn1cc(CCC(=O)[O-])c2ccccc21	ZINC000020074668	181051395	/nfs/dbraw/zinc/05/13/95/181051395.db2.gz	UGEIMJDFGCQCQC-UHFFFAOYSA-N	-1	0	228.251	2.182	10	30		BEEERM
N#Cc1ccc(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc1	ZINC000098090479	181101837	/nfs/dbraw/zinc/10/18/37/181101837.db2.gz	LNZUEORYYHLOQL-NEPJUHHUSA-N	-1	0	243.262	2.242	10	30		BEEERM
N#Cc1ccc(N[C@@H]2CCC[C@@H](C(=O)[O-])C2)nc1	ZINC000070556997	181124290	/nfs/dbraw/zinc/12/42/90/181124290.db2.gz	OIQCQNOYTCJRDD-GHMZBOCLSA-N	-1	0	245.282	2.009	10	30		BEEERM
N#Cc1cccc(Oc2cccc(C(=O)[O-])n2)c1	ZINC000051041580	181143685	/nfs/dbraw/zinc/14/36/85/181143685.db2.gz	METFLRLBVJNFQW-UHFFFAOYSA-N	-1	0	240.218	2.444	10	30		BEEERM
N#Cc1ccccc1OCCCCC(=O)[O-]	ZINC000020474348	181148800	/nfs/dbraw/zinc/14/88/00/181148800.db2.gz	NQUWPUCSNWLYOD-UHFFFAOYSA-N	-1	0	219.240	2.192	10	30		BEEERM
N#Cc1nc(-c2ccccc2Cl)[n-]c1C#N	ZINC000039616958	181166634	/nfs/dbraw/zinc/16/66/34/181166634.db2.gz	MYMXAOLFNVGWJA-UHFFFAOYSA-N	-1	0	228.642	2.473	10	30		BEEERM
C[C@H](SCC#CC(C)(C)C)C(=O)[O-]	ZINC000300722641	356492405	/nfs/dbraw/zinc/49/24/05/356492405.db2.gz	CFHHJXXRLQIDKL-QMMMGPOBSA-N	-1	0	200.303	2.242	10	30		BEEERM
C=C(C)C[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000675079601	538517692	/nfs/dbraw/zinc/51/76/92/538517692.db2.gz	VAXRXISPSSWTIB-SECBINFHSA-N	-1	0	243.303	2.321	10	30		BEEERM
N#Cc1ccc(-c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000675082553	538523610	/nfs/dbraw/zinc/52/36/10/538523610.db2.gz	KWAPMZXMXJMASL-UHFFFAOYSA-N	-1	0	212.208	2.252	10	30		BEEERM
N#CCSc1ccc(F)c(C(=O)[O-])c1	ZINC000160421999	356961775	/nfs/dbraw/zinc/96/17/75/356961775.db2.gz	SRJVEXNDONAFLU-UHFFFAOYSA-N	-1	0	211.217	2.140	10	30		BEEERM
CC(C)(C)c1cc(C#N)ccc1OCC(=O)[O-]	ZINC000584591496	358249534	/nfs/dbraw/zinc/24/95/34/358249534.db2.gz	LGINMZWDVOOZDA-UHFFFAOYSA-N	-1	0	233.267	2.319	10	30		BEEERM
C=CC[C@H](C)Oc1cccnc1C(=O)[O-]	ZINC000584610801	358274475	/nfs/dbraw/zinc/27/44/75/358274475.db2.gz	NCULIIHWAHVBDB-QMMMGPOBSA-N	-1	0	207.229	2.123	10	30		BEEERM
CC(/C=C/[C@](O)(C(C)C)C1(C#N)CC1)=C/C(=O)[O-]	ZINC000584623911	358292014	/nfs/dbraw/zinc/29/20/14/358292014.db2.gz	GMCRTDRNVLMHML-YDZOWHOPSA-N	-1	0	249.310	2.264	10	30		BEEERM
Cc1cc(Br)c(C#N)cc1C(=O)[O-]	ZINC000306206171	359296438	/nfs/dbraw/zinc/29/64/38/359296438.db2.gz	UBAVALKNSGMFML-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
N#CCSc1cc(F)ccc1C(=O)[O-]	ZINC000306247561	359439926	/nfs/dbraw/zinc/43/99/26/359439926.db2.gz	PJXIZAVXCXKBAU-UHFFFAOYSA-N	-1	0	211.217	2.140	10	30		BEEERM
N#CCc1ccc(Br)c([O-])c1F	ZINC000306299460	359547990	/nfs/dbraw/zinc/54/79/90/359547990.db2.gz	FBPNKPSXNLKJCL-UHFFFAOYSA-N	-1	0	230.036	2.360	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])c(Br)c1F	ZINC000306572711	360461284	/nfs/dbraw/zinc/46/12/84/360461284.db2.gz	HTQOIANNGJNKDU-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])cc1C(F)(F)F	ZINC000238660999	361174439	/nfs/dbraw/zinc/17/44/39/361174439.db2.gz	MLKHYEZBRDXLEK-UHFFFAOYSA-N	-1	0	215.130	2.275	10	30		BEEERM
Cc1cc(C#N)ccc1S[C@@H](C)C(=O)[O-]	ZINC000037732557	364563844	/nfs/dbraw/zinc/56/38/44/364563844.db2.gz	CUZPMAWZDOWXLC-QMMMGPOBSA-N	-1	0	221.281	2.432	10	30		BEEERM
CCCOc1cccc2c1[n-]cc(C#N)c2=O	ZINC000019478299	169326123	/nfs/dbraw/zinc/32/61/23/169326123.db2.gz	XOLCSDQHWRVXHM-UHFFFAOYSA-N	-1	0	228.251	2.189	10	30		BEEERM
O=C([O-])c1ccc(C#Cc2cccc(F)c2)cn1	ZINC000097758418	384283255	/nfs/dbraw/zinc/28/32/55/384283255.db2.gz	RWBNWQJYOHIZQO-UHFFFAOYSA-N	-1	0	241.221	2.319	10	30		BEEERM
N#Cc1c([O-])c2cc(F)cc(Cl)c2[nH]c1=O	ZINC000521399218	384628341	/nfs/dbraw/zinc/62/83/41/384628341.db2.gz	VAWHLAAPCGHYAV-UHFFFAOYSA-N	-1	0	238.605	2.310	10	30		BEEERM
O=C([O-])C#Cc1cccc(F)c1Br	ZINC000156234603	384823434	/nfs/dbraw/zinc/82/34/34/384823434.db2.gz	STNOFJKBFVXMFX-UHFFFAOYSA-N	-1	0	243.031	2.024	10	30		BEEERM
C=CCc1ccc(O[C@@H](C)C(=O)[O-])c(OC)c1	ZINC000022141376	385273398	/nfs/dbraw/zinc/27/33/98/385273398.db2.gz	GHBYBDHVMPNHBI-VIFPVBQESA-N	-1	0	236.267	2.276	10	30		BEEERM
COc1cc(C#N)cc(CC(=O)[O-])c1C(F)F	ZINC000575343505	386690950	/nfs/dbraw/zinc/69/09/50/386690950.db2.gz	ALNSDKPIPDCFLF-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
CCc1cc(C#N)c(C(=O)[O-])c(OC(F)F)c1	ZINC000575385518	386944671	/nfs/dbraw/zinc/94/46/71/386944671.db2.gz	XAEROXZTQGZEGF-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
N#Cc1cc(C(=O)[O-])c(OC(F)(F)F)cc1F	ZINC000575390417	386953634	/nfs/dbraw/zinc/95/36/34/386953634.db2.gz	KCYHYOQQBZLQNX-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
CCOC(=O)c1cc(C#N)c([O-])c(C(F)F)c1	ZINC000575388120	386958029	/nfs/dbraw/zinc/95/80/29/386958029.db2.gz	XFHIDJIRKSZMNU-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
CCOC(=O)c1ccc(C#N)c([O-])c1C(F)F	ZINC000575388102	386958118	/nfs/dbraw/zinc/95/81/18/386958118.db2.gz	WEAMLXDEAMGJPX-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
N#Cc1cc(C=O)cc(C(=O)[O-])c1C(F)(F)F	ZINC000575391257	386958408	/nfs/dbraw/zinc/95/84/08/386958408.db2.gz	REUBSIZNHAQLJK-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1c(F)ccc(CC(=O)[O-])c1C(F)(F)F	ZINC000575390356	386958824	/nfs/dbraw/zinc/95/88/24/386958824.db2.gz	DFTIGJZWVQWRRW-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1c(C=O)ccc(C(=O)[O-])c1C(F)(F)F	ZINC000575391007	386959670	/nfs/dbraw/zinc/95/96/70/386959670.db2.gz	OCOUHUAMTNSWDQ-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
COC(=O)c1cc([O-])c(C(F)(F)F)cc1C#N	ZINC000575392230	386964812	/nfs/dbraw/zinc/96/48/12/386964812.db2.gz	OTDFBKBFVCBNCE-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
COc1cc(C#N)c(C(F)(F)F)cc1C(=O)[O-]	ZINC000575394490	386991812	/nfs/dbraw/zinc/99/18/12/386991812.db2.gz	NJGSXYCTWRNOHN-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
Cc1cc(C#N)c(OC(F)F)cc1CC(=O)[O-]	ZINC000575388250	386951155	/nfs/dbraw/zinc/95/11/55/386951155.db2.gz	PWYIZDBWUJATFF-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
Cc1cc(OC(F)F)cc(CC(=O)[O-])c1C#N	ZINC000575388468	386951669	/nfs/dbraw/zinc/95/16/69/386951669.db2.gz	VPYIWXDHNZDSJD-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
C[C@@H](CCC=O)c1ccccc1C(=O)[O-]	ZINC000584623524	387502968	/nfs/dbraw/zinc/50/29/68/387502968.db2.gz	YAJBBNJIALDJHL-VIFPVBQESA-N	-1	0	206.241	2.467	10	30		BEEERM
N#CCc1cc(C#N)c([O-])c(C(F)F)c1	ZINC000575644137	387871055	/nfs/dbraw/zinc/87/10/55/387871055.db2.gz	WCJHJKJDBLIFAA-UHFFFAOYSA-N	-1	0	208.167	2.268	10	30		BEEERM
CCOc1cc(CC#N)cc(C#N)c1[S-]	ZINC000575646859	387881802	/nfs/dbraw/zinc/88/18/02/387881802.db2.gz	JVHXXKCRJZDVRI-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
CCOc1cc([S-])cc(CC#N)c1C#N	ZINC000575646720	387881953	/nfs/dbraw/zinc/88/19/53/387881953.db2.gz	ONQCJKRHOJLZGR-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
CCc1c([S-])cc(C#N)cc1CC#N	ZINC000575646760	387882006	/nfs/dbraw/zinc/88/20/06/387882006.db2.gz	PJJJRUHQRPCWSO-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
CCc1cc([S-])c(C#N)cc1CC#N	ZINC000575648624	387885403	/nfs/dbraw/zinc/88/54/03/387885403.db2.gz	VYSMOBNFGUVKRO-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
Cc1cc(C#N)cc([O-])c1Br	ZINC000260110642	388724869	/nfs/dbraw/zinc/72/48/69/388724869.db2.gz	NTUFRRNYVVKRNK-UHFFFAOYSA-N	-1	0	212.046	2.335	10	30		BEEERM
COc1c(C#N)c(CC(=O)[O-])ccc1C(F)F	ZINC000575343528	388810143	/nfs/dbraw/zinc/81/01/43/388810143.db2.gz	DZQCXSNYJQLCRS-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
C#CC[C@H](CCc1ccccc1)C(=O)[O-]	ZINC000075421572	166206728	/nfs/dbraw/zinc/20/67/28/166206728.db2.gz	SOWVAQCLFWAGET-GFCCVEGCSA-N	-1	0	202.253	2.343	10	30		BEEERM
CC(C)CNC1=CC(=O)c2ccccc2/C1=N\O	ZINC000096336723	167002944	/nfs/dbraw/zinc/00/29/44/167002944.db2.gz	DRSIBNIUYZUMPD-JQIJEIRASA-N	-1	0	244.294	2.191	10	30		BEEERM
CC[C@H](C)N(CC(=O)[O-])c1ccc(C#N)cc1	ZINC000037593293	171310792	/nfs/dbraw/zinc/31/07/92/171310792.db2.gz	WJCDCYNGHRSOQO-JTQLQIEISA-N	-1	0	232.283	2.248	10	30		BEEERM
CN(C(=S)[S-])c1ccccc1CC#N	ZINC000091364284	172348531	/nfs/dbraw/zinc/34/85/31/172348531.db2.gz	UHAXFYWBECJROI-UHFFFAOYSA-N	-1	0	222.338	2.404	10	30		BEEERM
C[C@@H](SCc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000019518804	176008609	/nfs/dbraw/zinc/00/86/09/176008609.db2.gz	IPNGDUQSPGKYMY-SSDOTTSWSA-N	-1	0	239.271	2.404	10	30		BEEERM
C[C@H](CN(CCC#N)c1ccccc1)C(=O)[O-]	ZINC000035759429	176654913	/nfs/dbraw/zinc/65/49/13/176654913.db2.gz	GRAMVCJRRAONDZ-LLVKDONJSA-N	-1	0	232.283	2.127	10	30		BEEERM
C[C@H](Nc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000062790383	176932094	/nfs/dbraw/zinc/93/20/94/176932094.db2.gz	VBRREWNWMUMCEX-LURJTMIESA-N	-1	0	224.647	2.097	10	30		BEEERM
C#CCNC(=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000106901591	323841474	/nfs/dbraw/zinc/84/14/74/323841474.db2.gz	VKAFVWPMGZVJIM-UHFFFAOYSA-N	-1	0	244.077	2.062	10	30		BEEERM
CC[C@H](C)[C@H](C#N)c1nc(C(=O)[O-])cs1	ZINC000150336282	323944235	/nfs/dbraw/zinc/94/42/35/323944235.db2.gz	GKFXGKIBVFDKBP-BQBZGAKWSA-N	-1	0	224.285	2.495	10	30		BEEERM
C=C[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000014512615	571711881	/nfs/dbraw/zinc/71/18/81/571711881.db2.gz	CJUFNYIRKDOQMC-SNVBAGLBSA-N	-1	0	200.278	2.349	10	30	endogenous,in-man	BEEERM
O=CC=C([O-])c1ccc(F)cc1Br	ZINC000236159316	582640049	/nfs/dbraw/zinc/64/00/49/582640049.db2.gz	UIQYNYHXWUCDDD-UHFFFAOYSA-N	-1	0	245.047	2.360	10	30		BEEERM
O=Cc1ccc(-c2cccc(C#CC(=O)[O-])c2)o1	ZINC000757566808	586461722	/nfs/dbraw/zinc/46/17/22/586461722.db2.gz	GKORVPCKVJUWDI-UHFFFAOYSA-N	-1	0	240.214	2.195	10	30		BEEERM
C#C[C@H](CC)Nc1ccccc1C(=O)[O-]	ZINC000229996143	633006926	/nfs/dbraw/zinc/00/69/26/633006926.db2.gz	ZSZWYEFTHBPDKZ-SECBINFHSA-N	-1	0	203.241	2.209	10	30		BEEERM
C#C[C@@H](CCC)Nc1ccc(C(=O)[O-])o1	ZINC000229996606	641002728	/nfs/dbraw/zinc/00/27/28/641002728.db2.gz	MSBOYLCESBNYFK-QMMMGPOBSA-N	-1	0	207.229	2.192	10	30		BEEERM
O=C(/C=C\c1cocn1)c1cc(F)ccc1[O-]	ZINC000588578581	959338068	/nfs/dbraw/zinc/33/80/68/959338068.db2.gz	DVSAYAHGPABPDF-RQOWECAXSA-N	-1	0	233.198	2.415	10	30		BEEERM
Cc1cc(CN2CCC[C@H](C#N)C2)oc1C(=O)[O-]	ZINC000694588491	976700937	/nfs/dbraw/zinc/70/09/37/976700937.db2.gz	ZTJKHMHLXNWWIG-SNVBAGLBSA-N	-1	0	248.282	2.022	10	30		BEEERM
C[C@H](CCC#N)S[C@@H](C)CC(=O)[O-]	ZINC000695809082	976804676	/nfs/dbraw/zinc/80/46/76/976804676.db2.gz	KGZFZBAWUYUNRN-SFYZADRCSA-N	-1	0	201.291	2.275	10	30		BEEERM
C[C@H](CCC#N)S[C@H](C)CC(=O)[O-]	ZINC000695809080	976804717	/nfs/dbraw/zinc/80/47/17/976804717.db2.gz	KGZFZBAWUYUNRN-HTQZYQBOSA-N	-1	0	201.291	2.275	10	30		BEEERM
Cc1cc(N(C)C[C@@H](C)C#N)ccc1C(=O)[O-]	ZINC000050576809	178099045	/nfs/dbraw/zinc/09/90/45/178099045.db2.gz	QMGANCJINBUOFN-VIFPVBQESA-N	-1	0	232.283	2.289	10	30		BEEERM
C[C@H](C#CC(=O)[O-])Oc1cccc(Cl)c1	ZINC000070835690	361780069	/nfs/dbraw/zinc/78/00/69/361780069.db2.gz	RWOVKCJBRGPXKE-MRVPVSSYSA-N	-1	0	224.643	2.195	10	30		BEEERM
O=C([O-])[C@@H](S)Cc1c[nH]c2ccccc12	ZINC000039119694	343385268	/nfs/dbraw/zinc/38/52/68/343385268.db2.gz	DRTYLXLEPPPQQX-JTQLQIEISA-N	-1	0	221.281	2.093	10	30		BEEERM
O=C([O-])[C@H](S)Cc1c[nH]c2ccccc12	ZINC000039119695	343385438	/nfs/dbraw/zinc/38/54/38/343385438.db2.gz	DRTYLXLEPPPQQX-SNVBAGLBSA-N	-1	0	221.281	2.093	10	30		BEEERM
COC(=O)c1c([S-])ccc(Cl)c1C#N	ZINC000306672153	344385772	/nfs/dbraw/zinc/38/57/72/344385772.db2.gz	ABBBXFMPDCTCFV-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
CCc1cc(Cl)cc(C#N)c1C(=O)[O-]	ZINC000306686031	344394686	/nfs/dbraw/zinc/39/46/86/344394686.db2.gz	JSQCOVMSYYRZME-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
CCc1cc(C#N)cc(CC)c1C(=O)[O-]	ZINC000396156437	344621967	/nfs/dbraw/zinc/62/19/67/344621967.db2.gz	RZJKJPKOVYHTKJ-UHFFFAOYSA-N	-1	0	203.241	2.381	10	30		BEEERM
N#Cc1cc(F)c(CC(=O)[O-])c(C(F)F)c1	ZINC000396156465	344628054	/nfs/dbraw/zinc/62/80/54/344628054.db2.gz	SDDJEDDXEFBDBQ-UHFFFAOYSA-N	-1	0	229.157	2.262	10	30		BEEERM
CCc1cc(Cl)c(CC(=O)[O-])cc1C#N	ZINC000396157638	344628840	/nfs/dbraw/zinc/62/88/40/344628840.db2.gz	JGODENOJRWCKJW-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
CCc1ccc(C#N)c(CC(=O)[O-])c1Cl	ZINC000396157450	344628847	/nfs/dbraw/zinc/62/88/47/344628847.db2.gz	IQAYLLQJVZZPQS-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
CCc1cc(C#N)cc(Cl)c1CC(=O)[O-]	ZINC000396160708	344633335	/nfs/dbraw/zinc/63/33/35/344633335.db2.gz	NRNXYBVIZFDSSU-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
COc1cc(C(=O)[O-])c(C#N)c(C(F)F)c1	ZINC000396161470	344633769	/nfs/dbraw/zinc/63/37/69/344633769.db2.gz	OASZPJGWZJWMOV-UHFFFAOYSA-N	-1	0	227.166	2.203	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])c(C(F)(F)F)c1F	ZINC000396163148	344634737	/nfs/dbraw/zinc/63/47/37/344634737.db2.gz	RBYSCPPXJVKIRV-UHFFFAOYSA-N	-1	0	233.120	2.414	10	30		BEEERM
C#C[C@@H](C)Oc1ccc(C(=O)[O-])c(Cl)c1	ZINC000235263873	344863363	/nfs/dbraw/zinc/86/33/63/344863363.db2.gz	RLXTXQJEUIDGJD-SSDOTTSWSA-N	-1	0	224.643	2.439	10	30		BEEERM
N#Cc1cc(C(F)(F)F)c(C(=O)[O-])cc1C=O	ZINC000514272093	344910755	/nfs/dbraw/zinc/91/07/55/344910755.db2.gz	WCQBVTSJXPJGRF-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
CCc1c(C(=O)[O-])ccc(C#N)c1OC(F)F	ZINC000514272396	344911077	/nfs/dbraw/zinc/91/10/77/344911077.db2.gz	YSOFANNRNUNYAO-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
Cc1cc(CC(=O)[O-])c(Cl)cc1C#N	ZINC000307151544	345045730	/nfs/dbraw/zinc/04/57/30/345045730.db2.gz	DPJGGRYEFYRHDN-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
C#CCSc1cc(C(=O)[O-])ccc1C	ZINC000075441779	187359806	/nfs/dbraw/zinc/35/98/06/187359806.db2.gz	BHRLOUZCMQMKQU-UHFFFAOYSA-N	-1	0	206.266	2.419	10	30		BEEERM
C=CCC(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC000054399554	187317397	/nfs/dbraw/zinc/31/73/97/187317397.db2.gz	SMLJABFBBUNKQK-UHFFFAOYSA-N	-1	0	219.240	2.208	10	30		BEEERM
N#Cc1ccc(Cn2ccc(C(=O)[O-])c2)cc1	ZINC000091840115	346534700	/nfs/dbraw/zinc/53/47/00/346534700.db2.gz	MCVQPPDDAMGDOA-UHFFFAOYSA-N	-1	0	226.235	2.106	10	30		BEEERM
N#C[C@]1(C(=O)[O-])CCC[C@@H](C(F)(F)F)C1	ZINC000725244582	537998102	/nfs/dbraw/zinc/99/81/02/537998102.db2.gz	JYSBGNUPZFQWJT-SVRRBLITSA-N	-1	0	221.178	2.333	10	30		BEEERM
N#Cc1ccc([C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000616611166	350810096	/nfs/dbraw/zinc/81/00/96/350810096.db2.gz	BNCUVRFMKMSZOW-LLVKDONJSA-N	-1	0	216.240	2.026	10	30		BEEERM
CCc1ccc(C(=O)[O-])c(Cl)c1C#N	ZINC000306732842	350902633	/nfs/dbraw/zinc/90/26/33/350902633.db2.gz	HPUJKQQQCGEXDU-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
N#Cc1ccc(Cl)c(Cl)c1CC(=O)[O-]	ZINC000306717400	350877554	/nfs/dbraw/zinc/87/75/54/350877554.db2.gz	HQSRBJBQROLLGN-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
N#Cc1ccc([C@@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000616618277	350887773	/nfs/dbraw/zinc/88/77/73/350887773.db2.gz	LUFUJFAIHZMWQB-GFCCVEGCSA-N	-1	0	230.267	2.416	10	30		BEEERM
COC(=O)c1cc([S-])c(C#N)cc1Cl	ZINC000306768675	350998851	/nfs/dbraw/zinc/99/88/51/350998851.db2.gz	PZKSXPBBBRUHPI-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
Cc1c(C#N)c(Br)ccc1C(=O)[O-]	ZINC000306823591	351131596	/nfs/dbraw/zinc/13/15/96/351131596.db2.gz	QSRQCASTFGBHMK-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
N#Cc1ccc(Br)c(F)c1C(=O)[O-]	ZINC000307023026	351427366	/nfs/dbraw/zinc/42/73/66/351427366.db2.gz	FKOJBNLROCVCBH-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
O=C([O-])c1cccc(CS)c1Cl	ZINC000307071576	351465687	/nfs/dbraw/zinc/46/56/87/351465687.db2.gz	XKUKYLDAUWHREE-UHFFFAOYSA-N	-1	0	202.662	2.468	10	30		BEEERM
Cc1ccccc1COC1CC(C#N)(C(=O)[O-])C1	ZINC000606302550	351553610	/nfs/dbraw/zinc/55/36/10/351553610.db2.gz	OZGPNNHISGZJBH-UHFFFAOYSA-N	-1	0	245.278	2.269	10	30		BEEERM
Cc1c(CC(=O)[O-])ccc(Cl)c1C#N	ZINC000307274685	351831062	/nfs/dbraw/zinc/83/10/62/351831062.db2.gz	ZZAWJRJZANUFHT-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
Cc1c(Cl)cc(C#N)cc1CC(=O)[O-]	ZINC000307276335	351831414	/nfs/dbraw/zinc/83/14/14/351831414.db2.gz	VRDULPVUCAMKNI-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
Cc1cc(CC(=O)[O-])c(C#N)cc1Cl	ZINC000307534118	352640035	/nfs/dbraw/zinc/64/00/35/352640035.db2.gz	OUJMURYAVFDVMZ-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
N#Cc1cc([O-])c(F)cc1Br	ZINC000306982360	353048851	/nfs/dbraw/zinc/04/88/51/353048851.db2.gz	RJWLFZDRDNNFJA-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
C=C(C)C(F)(F)[C@]([O-])(F)C(F)(F)F	ZINC000071619271	188047382	/nfs/dbraw/zinc/04/73/82/188047382.db2.gz	MUCGSFNHJBPLQJ-RXMQYKEDSA-N	-1	0	208.101	2.418	10	30		BEEERM
C=CCC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC000054399882	188048944	/nfs/dbraw/zinc/04/89/44/188048944.db2.gz	AQVJSNGERJQVJQ-LBPRGKRZSA-N	-1	0	247.294	2.285	10	30		BEEERM
C=CCc1cc(Cl)cc(C(=O)[O-])c1O	ZINC000033464690	188234063	/nfs/dbraw/zinc/23/40/63/188234063.db2.gz	GWLCOUQTWXPSNG-UHFFFAOYSA-N	-1	0	212.632	2.472	10	30		BEEERM
CC(C)(Nc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000062784969	188361952	/nfs/dbraw/zinc/36/19/52/188361952.db2.gz	BVWZSFAQFQDMDH-UHFFFAOYSA-N	-1	0	238.674	2.487	10	30		BEEERM
N#C[C@H](CC(=O)[O-])c1ccccc1Cl	ZINC000057496006	181063686	/nfs/dbraw/zinc/06/36/86/181063686.db2.gz	PKQGDZHEMMAOLN-ZETCQYMHSA-N	-1	0	209.632	2.422	10	30		BEEERM
N#Cc1cc(N[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccn1	ZINC000070556333	181091569	/nfs/dbraw/zinc/09/15/69/181091569.db2.gz	ARPULNJKVORWCQ-NXEZZACHSA-N	-1	0	245.282	2.009	10	30		BEEERM
N#Cc1ccc(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc1	ZINC000098090480	181101706	/nfs/dbraw/zinc/10/17/06/181101706.db2.gz	LNZUEORYYHLOQL-NWDGAFQWSA-N	-1	0	243.262	2.242	10	30		BEEERM
N#Cc1ccccc1Oc1ccc(C(=O)[O-])cn1	ZINC000019279746	181150237	/nfs/dbraw/zinc/15/02/37/181150237.db2.gz	PXUINSURLKMGAY-UHFFFAOYSA-N	-1	0	240.218	2.444	10	30		BEEERM
O=C([O-])c1ccccc1C#CC(F)(F)F	ZINC000675078566	538516688	/nfs/dbraw/zinc/51/66/88/538516688.db2.gz	HRGQOUFYDOTDGW-UHFFFAOYSA-N	-1	0	214.142	2.299	10	30		BEEERM
O=C([O-])CO/N=C1/CCC[C@@H]1c1ccccc1	ZINC000584591269	358249888	/nfs/dbraw/zinc/24/98/88/358249888.db2.gz	ASTQEPJCOJKGNU-QTQPHVRFSA-N	-1	0	233.267	2.411	10	30		BEEERM
CC(/C=C/[C@@](C)(O)C1(C#N)CC1)=C(\C)C(=O)[O-]	ZINC000584623995	358291641	/nfs/dbraw/zinc/29/16/41/358291641.db2.gz	LIRJQADJXDKQMJ-UMDLXFGQSA-N	-1	0	235.283	2.018	10	30		BEEERM
CC(=NNC(=S)[N-]Cl)c1ccccc1	ZINC000584656760	358308453	/nfs/dbraw/zinc/30/84/53/358308453.db2.gz	GICYUXBPKVGVNE-KPKJPENVSA-N	-1	0	227.720	2.029	10	30		BEEERM
Cc1cc(C#N)c(C(=O)[O-])cc1Br	ZINC000306318442	359596855	/nfs/dbraw/zinc/59/68/55/359596855.db2.gz	HZDOXHNLLBPGGJ-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
C=CC[C@@H]1CC[N@@H+](Cc2ncccc2C(=O)[O-])C1	ZINC000629366634	361014191	/nfs/dbraw/zinc/01/41/91/361014191.db2.gz	QGOKYFVCVWAMGE-LLVKDONJSA-N	-1	0	246.310	2.178	10	30		BEEERM
C#CCN(C)c1cc(Cl)ccc1C(=O)[O-]	ZINC000130963666	370527894	/nfs/dbraw/zinc/52/78/94/370527894.db2.gz	PNGXFUYAIYHMHC-UHFFFAOYSA-N	-1	0	223.659	2.108	10	30		BEEERM
Cc1c(C#N)cc(Br)cc1C(=O)[O-]	ZINC000307339553	372113105	/nfs/dbraw/zinc/11/31/05/372113105.db2.gz	RQGQDJRNURGNJV-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
Cc1cccc(S(=O)(=O)[N-]C(=O)C(C)C)c1	ZINC000048518097	383855173	/nfs/dbraw/zinc/85/51/73/383855173.db2.gz	NMYCKGDXPJZWGV-UHFFFAOYSA-N	-1	0	241.312	2.296	10	30		BEEERM
O=C([O-])CCc1cc2c(s1)CCC/C2=N/O	ZINC000005749222	384128162	/nfs/dbraw/zinc/12/81/62/384128162.db2.gz	QFAPAQQXGYJLLE-XFXZXTDPSA-N	-1	0	239.296	2.280	10	30		BEEERM
C=C(C)c1cc(C#N)cc([N+](=O)[O-])c1[O-]	ZINC000116966119	384130971	/nfs/dbraw/zinc/13/09/71/384130971.db2.gz	XYBHMXIUDDXGQQ-UHFFFAOYSA-N	-1	0	204.185	2.205	10	30		BEEERM
CC(=O)c1cc(Cl)c(C)c(C#N)c1[O-]	ZINC000098179433	384504840	/nfs/dbraw/zinc/50/48/40/384504840.db2.gz	DRQHRCASLKCUPK-UHFFFAOYSA-N	-1	0	209.632	2.428	10	30		BEEERM
COc1c(CC(=O)[O-])c(C#N)ccc1C(F)F	ZINC000575343646	386692156	/nfs/dbraw/zinc/69/21/56/386692156.db2.gz	VCMKZTFFUBIKFU-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(C(F)F)c1	ZINC000575344268	386692287	/nfs/dbraw/zinc/69/22/87/386692287.db2.gz	ZNHWVCVIGCUIRD-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
Cc1ccc(C#N)c(CC(=O)[O-])c1Cl	ZINC000307506369	386699284	/nfs/dbraw/zinc/69/92/84/386699284.db2.gz	LRMGZMBSACFLAH-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
CCc1c(OC(F)F)ccc(C#N)c1C(=O)[O-]	ZINC000575385449	386945117	/nfs/dbraw/zinc/94/51/17/386945117.db2.gz	REYAHRMEEPSFIU-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
N#Cc1cc(C(=O)[O-])cc(C(F)(F)F)c1C=O	ZINC000575391341	386958987	/nfs/dbraw/zinc/95/89/87/386958987.db2.gz	UPGBTBRMZHWAFN-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1cc(C(=O)[O-])c(C(F)(F)F)cc1C=O	ZINC000575390929	386959765	/nfs/dbraw/zinc/95/97/65/386959765.db2.gz	JYYNMOOHLBHJRN-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1ccc(CC(=O)[O-])c(F)c1C(F)(F)F	ZINC000575390532	386960123	/nfs/dbraw/zinc/96/01/23/386960123.db2.gz	ULASYFLMUFNVNN-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1c(C(=O)[O-])c(C=O)ccc1C(F)(F)F	ZINC000575390955	386960926	/nfs/dbraw/zinc/96/09/26/386960926.db2.gz	LASDDNLMSMYQMQ-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1c(C(=O)[O-])cc(C=O)cc1C(F)(F)F	ZINC000575390996	386960931	/nfs/dbraw/zinc/96/09/31/386960931.db2.gz	NNWMRNVROGITFM-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
COc1cc(C(F)(F)F)cc(C#N)c1C(=O)[O-]	ZINC000575393955	386991867	/nfs/dbraw/zinc/99/18/67/386991867.db2.gz	AOJPEJZSWNUMAM-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
COc1ccc(C(=O)[O-])c(C(F)(F)F)c1C#N	ZINC000575393988	386992525	/nfs/dbraw/zinc/99/25/25/386992525.db2.gz	BRXZVSFISVCBJC-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
Cc1c(C#N)cc(OC(F)(F)F)cc1C(=O)[O-]	ZINC000575394147	386992694	/nfs/dbraw/zinc/99/26/94/386992694.db2.gz	FPLRWMSYALFDQY-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
COc1cc(C(=O)[O-])cc(C#N)c1C(F)(F)F	ZINC000575395110	386996921	/nfs/dbraw/zinc/99/69/21/386996921.db2.gz	XEGFUKLSLKZFDR-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
COc1cc(C#N)c(C(F)(F)F)c(C(=O)[O-])c1	ZINC000575394820	386996975	/nfs/dbraw/zinc/99/69/75/386996975.db2.gz	OUFSIBASPMNHPN-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
Cc1c(C#N)cc(CC(=O)[O-])cc1OC(F)F	ZINC000575387658	386951970	/nfs/dbraw/zinc/95/19/70/386951970.db2.gz	IOCVAGJADJFKNY-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1cc(OC(F)F)c([O-])cc1F	ZINC000575658330	387045670	/nfs/dbraw/zinc/04/56/70/387045670.db2.gz	FSUNCVBEOFBBAG-UHFFFAOYSA-N	-1	0	203.119	2.004	10	30		BEEERM
N#Cc1cc(O)c(OC(F)F)c(F)c1	ZINC000575660245	387054065	/nfs/dbraw/zinc/05/40/65/387054065.db2.gz	WMFJSWOOHKHHEZ-UHFFFAOYSA-N	-1	0	203.119	2.004	10	30		BEEERM
C=C(C)C(F)(F)[C@@]([O-])(F)C(F)(F)F	ZINC000071619269	387109655	/nfs/dbraw/zinc/10/96/55/387109655.db2.gz	MUCGSFNHJBPLQJ-YFKPBYRVSA-N	-1	0	208.101	2.418	10	30		BEEERM
N#Cc1c(C(F)F)ccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000575389404	388491631	/nfs/dbraw/zinc/49/16/31/388491631.db2.gz	LTYHHTYWAWKMFQ-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1ccccc1N1CCCC[C@@H]1CC(=O)[O-]	ZINC000038027244	132345907	/nfs/dbraw/zinc/34/59/07/132345907.db2.gz	OYFURTLAQXLJMG-GFCCVEGCSA-N	-1	0	244.294	2.392	10	30		BEEERM
C[C@]1(C(=O)[O-])CCCN(c2ccc(C#N)cc2)C1	ZINC000062874644	132388592	/nfs/dbraw/zinc/38/85/92/132388592.db2.gz	DXDHNNNKRVPRLZ-AWEZNQCLSA-N	-1	0	244.294	2.249	10	30		BEEERM
CSc1nc(Cl)c(C=N[O-])c(Cl)n1	ZINC000255997262	135130398	/nfs/dbraw/zinc/13/03/98/135130398.db2.gz	QNDOJFRYZPCHJA-UHFFFAOYSA-N	-1	0	238.099	2.313	10	30		BEEERM
C=C(C)C[C@@H](C)C(=O)N[C@H](C/C=C/C)C(=O)[O-]	ZINC000263250361	135342405	/nfs/dbraw/zinc/34/24/05/135342405.db2.gz	HBMNNCOGCKISGW-XIJCSBCJSA-N	-1	0	239.315	2.124	10	30		BEEERM
C=CCN(CC=C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000011800207	166337924	/nfs/dbraw/zinc/33/79/24/166337924.db2.gz	YQOBHKSAXVWWNZ-CYBMUJFWSA-N	-1	0	231.295	2.486	10	30		BEEERM
CC1CCC(C#N)([N-]C(=O)C(F)(F)F)CC1	ZINC000040356839	168149053	/nfs/dbraw/zinc/14/90/53/168149053.db2.gz	PDQISRYLLXAFSA-UHFFFAOYSA-N	-1	0	234.221	2.137	10	30		BEEERM
COc1cccc(F)c1-c1ccc(C#N)c(=O)[n-]1	ZINC000075904386	175273601	/nfs/dbraw/zinc/27/36/01/175273601.db2.gz	VYSKHDOCQXRRMP-UHFFFAOYSA-N	-1	0	244.225	2.061	10	30		BEEERM
N#Cc1ccc(-c2ccc(CC(=O)[O-])o2)cc1	ZINC000536958244	323969414	/nfs/dbraw/zinc/96/94/14/323969414.db2.gz	JSNNRICJCWPFMU-UHFFFAOYSA-N	-1	0	227.219	2.445	10	30		BEEERM
O=C([O-])CO/N=C/c1cccc2ccccc12	ZINC000069054720	488016785	/nfs/dbraw/zinc/01/67/85/488016785.db2.gz	ZDAWWQLDXIMNNW-RIYZIHGNSA-N	-1	0	229.235	2.275	10	30		BEEERM
O=C(C=C([O-])c1cccnc1)c1cccnc1	ZINC000103568525	527592243	/nfs/dbraw/zinc/59/22/43/527592243.db2.gz	LCWNXTXCHKNESH-GHXNOFRVSA-N	-1	0	226.235	2.258	10	30		BEEERM
O=C(C=C([O-])c1cccnc1)c1ccccn1	ZINC000103568519	527592683	/nfs/dbraw/zinc/59/26/83/527592683.db2.gz	AOPHHDTZJAXEBP-WQLSENKSSA-N	-1	0	226.235	2.258	10	30		BEEERM
CCCc1nc(=N[C@H]2CCC[C@@H]2C#N)s[n-]1	ZINC000336757048	535478072	/nfs/dbraw/zinc/47/80/72/535478072.db2.gz	HLEGPYNJMZODLE-BDAKNGLRSA-N	-1	0	236.344	2.017	10	30		BEEERM
C#C[C@H](CC)Nc1cc(C(=O)[O-])cc(Cl)n1	ZINC000229996492	641003038	/nfs/dbraw/zinc/00/30/38/641003038.db2.gz	SZXNOPWNDRQYQJ-MRVPVSSYSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#CC(C)(C)Nc1cc(C(=O)[O-])cc(Cl)n1	ZINC000069682874	642894016	/nfs/dbraw/zinc/89/40/16/642894016.db2.gz	DHKSFVYNULWMBY-UHFFFAOYSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#CCCNc1ccc(C)cc1C(=O)[O-]	ZINC000069791451	642915318	/nfs/dbraw/zinc/91/53/18/642915318.db2.gz	BDBWTVKKBJWTHD-UHFFFAOYSA-N	-1	0	203.241	2.128	10	30		BEEERM
Cc1cc(C[C@H](C#N)C(=O)[O-])ccc1Cl	ZINC000757155355	643345719	/nfs/dbraw/zinc/34/57/19/643345719.db2.gz	AFYUEGVCCSUBQR-SECBINFHSA-N	-1	0	223.659	2.415	10	30		BEEERM
C#C[C@@H](CC)Nc1nc(Cl)ccc1C(=O)[O-]	ZINC000229995810	711840066	/nfs/dbraw/zinc/84/00/66/711840066.db2.gz	WOZPNWLFNZOCII-ZETCQYMHSA-N	-1	0	238.674	2.257	10	30		BEEERM
CC(C)[C@@H]1CC[C@H](C)CC1=NNCC(=O)[O-]	ZINC000378713290	712358803	/nfs/dbraw/zinc/35/88/03/712358803.db2.gz	VXURBNXDTAGBCG-UWVGGRQHSA-N	-1	0	226.320	2.109	10	30		BEEERM
C=C[C@H](Sc1ncccc1C)C(=O)[O-]	ZINC000692570338	976528757	/nfs/dbraw/zinc/52/87/57/976528757.db2.gz	XFXLZYQTTZLSSK-QMMMGPOBSA-N	-1	0	209.270	2.121	10	30		BEEERM
C[C@@H](CCC#N)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000695689314	976801411	/nfs/dbraw/zinc/80/14/11/976801411.db2.gz	IVJVZIPKAIOTOS-JTQLQIEISA-N	-1	0	244.294	2.393	10	30		BEEERM
CC(C)(CSc1ncccc1C#N)C(=O)[O-]	ZINC000700274458	976940595	/nfs/dbraw/zinc/94/05/95/976940595.db2.gz	UWHOFVITQZYAHH-UHFFFAOYSA-N	-1	0	236.296	2.156	10	30		BEEERM
N#Cc1ccc(NC[C@@H](CC(=O)[O-])C2CC2)cc1	ZINC000702116069	977064716	/nfs/dbraw/zinc/06/47/16/977064716.db2.gz	NZALAGWMJCOKBV-GFCCVEGCSA-N	-1	0	244.294	2.471	10	30		BEEERM
C=CCN(CC=C)C(=O)c1oc(C(=O)[O-])cc1C	ZINC000717198268	977876542	/nfs/dbraw/zinc/87/65/42/977876542.db2.gz	NCUOLJRJZMWREN-UHFFFAOYSA-N	-1	0	249.266	2.100	10	30		BEEERM
N#CCCCNc1ccc(C(=O)[O-])cc1	ZINC000029216990	343137081	/nfs/dbraw/zinc/13/70/81/343137081.db2.gz	UEZMXMOOBGBHAI-UHFFFAOYSA-N	-1	0	204.229	2.100	10	30		BEEERM
N#Cc1cc(F)c(C(=O)[O-])c(OC(F)(F)F)c1	ZINC000514271850	343648358	/nfs/dbraw/zinc/64/83/58/343648358.db2.gz	MWMJMLNQRZQDHU-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
N#Cc1c(F)cc(OC(F)(F)F)cc1C(=O)[O-]	ZINC000514272194	343650703	/nfs/dbraw/zinc/65/07/03/343650703.db2.gz	SACPXFDMLTWASV-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
C#Cc1ccc(Br)cc1C(=O)[O-]	ZINC000306298091	343758590	/nfs/dbraw/zinc/75/85/90/343758590.db2.gz	OOMJFIGDUFRDOP-UHFFFAOYSA-N	-1	0	225.041	2.129	10	30		BEEERM
O=C([O-])C#C[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000127161825	343857466	/nfs/dbraw/zinc/85/74/66/343857466.db2.gz	RHMXYIWLWRUQKY-YUMQZZPRSA-N	-1	0	220.190	2.443	10	30		BEEERM
N#C[C@H](C(=O)[O-])c1ccccc1Br	ZINC000070821166	343956270	/nfs/dbraw/zinc/95/62/70/343956270.db2.gz	CCCXLCAXNHXPHJ-ZETCQYMHSA-N	-1	0	240.056	2.141	10	30		BEEERM
Cc1ccc(C[C@@H](CS)C(=O)[O-])cc1	ZINC000026963132	178647083	/nfs/dbraw/zinc/64/70/83/178647083.db2.gz	FIYUTKNWTIBLTF-JTQLQIEISA-N	-1	0	210.298	2.168	10	30		BEEERM
C/C(=N/N)c1cc(Cl)cc(Cl)c1[O-]	ZINC000100061780	187290675	/nfs/dbraw/zinc/29/06/75/187290675.db2.gz	CASVZNKXIBRZOU-QCDXTXTGSA-N	-1	0	219.071	2.382	10	30		BEEERM
C/C(=C\C(=O)[O-])COc1ccc(CC#N)cc1	ZINC000104259519	187292158	/nfs/dbraw/zinc/29/21/58/187292158.db2.gz	QCPVBJYAVNEMOK-CSKARUKUSA-N	-1	0	231.251	2.162	10	30		BEEERM
N#Cc1cc(C(F)F)c(C=O)cc1C(=O)[O-]	ZINC000396154158	344626220	/nfs/dbraw/zinc/62/62/20/344626220.db2.gz	UBOCASWOMBNKMQ-UHFFFAOYSA-N	-1	0	225.150	2.007	10	30		BEEERM
CCc1ccc(CC)c(CC(=O)[O-])c1C#N	ZINC000396159698	344633030	/nfs/dbraw/zinc/63/30/30/344633030.db2.gz	XJQRQWJAGWNUJY-UHFFFAOYSA-N	-1	0	217.268	2.310	10	30		BEEERM
Cc1cc(C(=O)[O-])c(OC(F)F)cc1C#N	ZINC000396164317	344635371	/nfs/dbraw/zinc/63/53/71/344635371.db2.gz	ROBHVJDCXFAAHV-UHFFFAOYSA-N	-1	0	227.166	2.166	10	30		BEEERM
C[C@H](C#N)Oc1ccc(Cl)c(C(=O)[O-])c1	ZINC000235270644	344870056	/nfs/dbraw/zinc/87/00/56/344870056.db2.gz	YWPZZADFHIAGRA-ZCFIWIBFSA-N	-1	0	225.631	2.329	10	30		BEEERM
N#Cc1c(OC(F)(F)F)ccc(F)c1C(=O)[O-]	ZINC000514271809	344910556	/nfs/dbraw/zinc/91/05/56/344910556.db2.gz	HIDMLNONDWGPBL-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
N#Cc1cc(OC(F)(F)F)c(C(=O)[O-])cc1F	ZINC000514272114	344910693	/nfs/dbraw/zinc/91/06/93/344910693.db2.gz	YFKGOEKOQGGJDK-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
N#Cc1cc(F)cc(C(F)(F)F)c1CC(=O)[O-]	ZINC000514272792	344911313	/nfs/dbraw/zinc/91/13/13/344911313.db2.gz	CQHQAOTYTSJARS-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
Cc1c(C#N)ccc(CC(=O)[O-])c1OC(F)F	ZINC000514275938	344911784	/nfs/dbraw/zinc/91/17/84/344911784.db2.gz	HIMIYJAOEMMFIL-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
O=CC1=C([O-])c2ccc(Br)cc2C1	ZINC000118825730	537927990	/nfs/dbraw/zinc/92/79/90/537927990.db2.gz	FCGFTUYFILLJDJ-ZETCQYMHSA-N	-1	0	239.068	2.003	10	30		BEEERM
C=C(C)CSc1ncccc1C(=O)[O-]	ZINC000019483987	187313537	/nfs/dbraw/zinc/31/35/37/187313537.db2.gz	LHQMURTWIPBYJH-UHFFFAOYSA-N	-1	0	209.270	2.448	10	30		BEEERM
COc1cc2c(cc1OC)C([O-])=C(C=O)CC2	ZINC000147863135	346030760	/nfs/dbraw/zinc/03/07/60/346030760.db2.gz	ODILOHKMLZJJCI-VQHVLOKHSA-N	-1	0	234.251	2.275	10	30		BEEERM
C=CCC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000054399434	187316898	/nfs/dbraw/zinc/31/68/98/187316898.db2.gz	YVGXPRFWLNCDQO-UHFFFAOYSA-N	-1	0	219.240	2.208	10	30		BEEERM
N#C[C@]1(C(=O)[O-])CCC[C@H](C(F)(F)F)C1	ZINC000725244583	537998470	/nfs/dbraw/zinc/99/84/70/537998470.db2.gz	JYSBGNUPZFQWJT-XPUUQOCRSA-N	-1	0	221.178	2.333	10	30		BEEERM
C=CCCn1nnc(C(=O)[O-])c1C1CCCC1	ZINC000725255594	538053700	/nfs/dbraw/zinc/05/37/00/538053700.db2.gz	FOQQUGFVTIXXHV-UHFFFAOYSA-N	-1	0	235.287	2.210	10	30		BEEERM
N#Cc1ccc(Cl)c(CC(=O)[O-])c1Cl	ZINC000306711350	350871407	/nfs/dbraw/zinc/87/14/07/350871407.db2.gz	XNFIMPKPIYVBEH-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
C[C@@H](Oc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000128903514	350887817	/nfs/dbraw/zinc/88/78/17/350887817.db2.gz	RAAYPEOGAAOMQO-ZCFIWIBFSA-N	-1	0	225.631	2.064	10	30		BEEERM
N#Cc1ccccc1C1CCN(C(=O)[O-])CC1	ZINC000616621835	351083986	/nfs/dbraw/zinc/08/39/86/351083986.db2.gz	WXWBBFPULMZZTR-UHFFFAOYSA-N	-1	0	230.267	2.416	10	30		BEEERM
C=C(Cl)CNc1ccc(C(=O)[O-])o1	ZINC000167987706	351181718	/nfs/dbraw/zinc/18/17/18/351181718.db2.gz	AQTNHJZGZXIEMO-UHFFFAOYSA-N	-1	0	201.609	2.142	10	30		BEEERM
N#CC=C([O-])c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000034963922	351367581	/nfs/dbraw/zinc/36/75/81/351367581.db2.gz	AICSFYSLLZRBJZ-UHFFFAOYSA-N	-1	0	224.603	2.345	10	30		BEEERM
Cc1cc(CC(=O)[O-])cc(C#N)c1Cl	ZINC000306931581	351357269	/nfs/dbraw/zinc/35/72/69/351357269.db2.gz	CHSAHIGNEZFPDB-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
COC(=O)c1ccc(C#N)c([S-])c1Cl	ZINC000307056815	351456556	/nfs/dbraw/zinc/45/65/56/351456556.db2.gz	WHYWDYYZRFHCSV-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
Cc1cc(C(=O)[O-])cc(Br)c1C#N	ZINC000307150903	351505065	/nfs/dbraw/zinc/50/50/65/351505065.db2.gz	BDZLHSNIFUAKGY-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
N#Cc1c(F)c(Br)ccc1C(=O)[O-]	ZINC000307327754	352024584	/nfs/dbraw/zinc/02/45/84/352024584.db2.gz	JQOYJGUJZVXUNN-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
C/C(=C\c1ccccc1)CN/N=C(\C)C(=O)[O-]	ZINC000029219227	187593132	/nfs/dbraw/zinc/59/31/32/187593132.db2.gz	XTRIRFWVSULCBP-WSZGUFMCSA-N	-1	0	232.283	2.140	10	30		BEEERM
C=C(CNc1ccc(F)c(F)c1)C(=O)[O-]	ZINC000232436213	352665955	/nfs/dbraw/zinc/66/59/55/352665955.db2.gz	FDVOWRSLHMYMFW-UHFFFAOYSA-N	-1	0	213.183	2.018	10	30		BEEERM
N#C[C@@H](CC(=O)[O-])c1ccccc1Cl	ZINC000057496008	181054172	/nfs/dbraw/zinc/05/41/72/181054172.db2.gz	PKQGDZHEMMAOLN-SSDOTTSWSA-N	-1	0	209.632	2.422	10	30		BEEERM
N#Cc1ccc(-c2cncc(C(=O)[O-])c2)s1	ZINC000050266907	181096032	/nfs/dbraw/zinc/09/60/32/181096032.db2.gz	PWBWEYDZNRJYFM-UHFFFAOYSA-N	-1	0	230.248	2.380	10	30		BEEERM
N#Cc1ccc(Nc2cc(C(=O)[O-])ccn2)cc1	ZINC000019845126	181126146	/nfs/dbraw/zinc/12/61/46/181126146.db2.gz	SGDXTWZJLXZYHG-UHFFFAOYSA-N	-1	0	239.234	2.395	10	30		BEEERM
N#Cc1ccc(N[C@H]2CCC[C@H](C(=O)[O-])C2)nc1	ZINC000070556996	181126226	/nfs/dbraw/zinc/12/62/26/181126226.db2.gz	OIQCQNOYTCJRDD-QWRGUYRKSA-N	-1	0	245.282	2.009	10	30		BEEERM
N#Cc1cccc(-c2c[nH]c(=O)cc2C(=O)[O-])c1	ZINC000065347158	181133727	/nfs/dbraw/zinc/13/37/27/181133727.db2.gz	XXRHTCHMSCLASB-UHFFFAOYSA-N	-1	0	240.218	2.024	10	30		BEEERM
N#Cc1cccc(OCc2ccc(C(=O)[O-])o2)c1	ZINC000019268124	181142917	/nfs/dbraw/zinc/14/29/17/181142917.db2.gz	OWFIXQKWUZQQSF-UHFFFAOYSA-N	-1	0	243.218	2.428	10	30		BEEERM
CCOC(=O)c1cc(C2CCC2)[n-]c(=O)c1C#N	ZINC000675067152	538492974	/nfs/dbraw/zinc/49/29/74/538492974.db2.gz	AMNUOPJTMZAMSZ-UHFFFAOYSA-N	-1	0	246.266	2.103	10	30		BEEERM
CC(C)(C)OC(=O)C#Cc1ccc(C(=O)[O-])cc1	ZINC000675077331	538511943	/nfs/dbraw/zinc/51/19/43/538511943.db2.gz	CLBMKHLVOMAQRK-UHFFFAOYSA-N	-1	0	246.262	2.078	10	30		BEEERM
O=CC=C([O-])c1ccc(Br)cc1F	ZINC000131950568	538597056	/nfs/dbraw/zinc/59/70/56/538597056.db2.gz	WTJZPOCJLFPOPE-UHFFFAOYSA-N	-1	0	245.047	2.360	10	30		BEEERM
O=C([O-])c1ccc(CS)c(Cl)c1	ZINC000169047272	358094725	/nfs/dbraw/zinc/09/47/25/358094725.db2.gz	VICGOLZFXAOCIV-UHFFFAOYSA-N	-1	0	202.662	2.468	10	30		BEEERM
Cc1cc([N+](=O)[O-])ccc1/C(Cl)=N/[O-]	ZINC000584611462	358275492	/nfs/dbraw/zinc/27/54/92/358275492.db2.gz	CYGIDLARCJUFLO-NTMALXAHSA-N	-1	0	214.608	2.278	10	30		BEEERM
O=C(/C=N/[O-])c1cccc(Br)c1	ZINC000584609075	358269894	/nfs/dbraw/zinc/26/98/94/358269894.db2.gz	KCDHRZJWCYKGAS-BJMVGYQFSA-N	-1	0	228.045	2.092	10	30		BEEERM
CC(/C=C/[C@@](C)(O)C1(C#N)CCC1)=C/C(=O)[O-]	ZINC000584624081	358291797	/nfs/dbraw/zinc/29/17/97/358291797.db2.gz	RAJKQGKDJRRKRV-BDUYJLSFSA-N	-1	0	235.283	2.018	10	30		BEEERM
CC(/C=C/[C@](C)(O)C1(C#N)CC1)=C(\C)C(=O)[O-]	ZINC000584623989	358291931	/nfs/dbraw/zinc/29/19/31/358291931.db2.gz	LIRJQADJXDKQMJ-IAGBKJSFSA-N	-1	0	235.283	2.018	10	30		BEEERM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCC3)cc1	ZINC000104707351	358351461	/nfs/dbraw/zinc/35/14/61/358351461.db2.gz	HGKSRCZLOVUOEJ-NSHDSACASA-N	-1	0	225.251	2.061	10	30		BEEERM
N#Cc1cccc(-n2[n-]c3c(c2=O)CCC3)c1	ZINC000104707427	358351914	/nfs/dbraw/zinc/35/19/14/358351914.db2.gz	QENDXUFIHZSWIE-NSHDSACASA-N	-1	0	225.251	2.061	10	30		BEEERM
Cc1cc(C#N)c(Br)cc1C(=O)[O-]	ZINC000306357015	359682362	/nfs/dbraw/zinc/68/23/62/359682362.db2.gz	ZQZYZOYCNZTFLE-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
Cc1ccc(C#CC(=O)[O-])cc1Br	ZINC000130691846	364445164	/nfs/dbraw/zinc/44/51/64/364445164.db2.gz	JIDRFSBURWXUNW-UHFFFAOYSA-N	-1	0	239.068	2.194	10	30		BEEERM
O=C([O-])/C(F)=C(\F)C(F)(F)C(F)(F)CF	ZINC000221268340	368416917	/nfs/dbraw/zinc/41/69/17/368416917.db2.gz	QVKYWZVGEVVNID-NSCUHMNNSA-N	-1	0	240.074	2.462	10	30		BEEERM
CCc1ccc(C(=O)/C=C/C(=O)[O-])cc1	ZINC000002579342	368849616	/nfs/dbraw/zinc/84/96/16/368849616.db2.gz	HXYKRLIOEWKYLP-BQYQJAHWSA-N	-1	0	204.225	2.073	10	30		BEEERM
C#CC[C@@H](C)Nc1ccc(C(=O)[O-])cc1	ZINC000130944678	370426797	/nfs/dbraw/zinc/42/67/97/370426797.db2.gz	LYJRMYAJJLYWNO-SECBINFHSA-N	-1	0	203.241	2.209	10	30		BEEERM
C#CC[C@@H](C)Nc1cccc(C(=O)[O-])c1	ZINC000227680177	371920016	/nfs/dbraw/zinc/92/00/16/371920016.db2.gz	PCNVGJCRMPTPML-SECBINFHSA-N	-1	0	203.241	2.209	10	30		BEEERM
Cc1ccc2cc(C(=O)[O-])[nH]c2c1C#N	ZINC000536957820	384806948	/nfs/dbraw/zinc/80/69/48/384806948.db2.gz	FQYGWPCNLYZVMM-UHFFFAOYSA-N	-1	0	200.197	2.046	10	30		BEEERM
N#Cc1cccc(-c2ccc(CC(=O)[O-])o2)c1	ZINC000536957782	384807804	/nfs/dbraw/zinc/80/78/04/384807804.db2.gz	HJEQVZYMTAHOLD-UHFFFAOYSA-N	-1	0	227.219	2.445	10	30		BEEERM
N#CC1CCN(c2ccccc2C(=O)[O-])CC1	ZINC000409428871	385326637	/nfs/dbraw/zinc/32/66/37/385326637.db2.gz	PJQQUMIRTOKNMK-UHFFFAOYSA-N	-1	0	230.267	2.125	10	30		BEEERM
O=C([O-])c1ccc(C#C/C=C/CF)cc1	ZINC000091365533	386297266	/nfs/dbraw/zinc/29/72/66/386297266.db2.gz	NFNYVBKXXNBFJE-HNQUOIGGSA-N	-1	0	204.200	2.262	10	30		BEEERM
N#Cc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C(F)F	ZINC000575344229	386690939	/nfs/dbraw/zinc/69/09/39/386690939.db2.gz	WQSBCFJRERKKGR-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1cc(C(=O)[O-])c(C(F)F)cc1[N+](=O)[O-]	ZINC000575343993	386692182	/nfs/dbraw/zinc/69/21/82/386692182.db2.gz	LTKZOHPIELPXFG-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
COc1c(C#N)cc(CC(=O)[O-])cc1C(F)F	ZINC000575343641	386692306	/nfs/dbraw/zinc/69/23/06/386692306.db2.gz	UPSHOKPRDOXMEB-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1cccc(OC(F)(F)F)c1CC(=O)[O-]	ZINC000575345005	386712290	/nfs/dbraw/zinc/71/22/90/386712290.db2.gz	NZYHUBXDQFNKAH-UHFFFAOYSA-N	-1	0	245.156	2.084	10	30		BEEERM
N#Cc1ccc([N+](=O)[O-])c(C(F)F)c1C(=O)[O-]	ZINC000575389479	386953481	/nfs/dbraw/zinc/95/34/81/386953481.db2.gz	PULCRNXVHXIRLG-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1c(C(=O)[O-])ccc(F)c1OC(F)(F)F	ZINC000575390450	386958522	/nfs/dbraw/zinc/95/85/22/386958522.db2.gz	MJRXUPCZVGTZER-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
N#Cc1ccc(OC(F)(F)F)c(F)c1C(=O)[O-]	ZINC000575390520	386960223	/nfs/dbraw/zinc/96/02/23/386960223.db2.gz	SJSLOEKAQIWUKJ-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
COc1c(C#N)c(C(F)(F)F)ccc1C(=O)[O-]	ZINC000575393964	386992760	/nfs/dbraw/zinc/99/27/60/386992760.db2.gz	AUNRHMIXKMMCGR-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
COc1cc(C(=O)[O-])c(C#N)cc1C(F)(F)F	ZINC000575395073	386997138	/nfs/dbraw/zinc/99/71/38/386997138.db2.gz	VZLRZMRUKPFEOV-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
CCOc1c([S-])cc(C#N)cc1CC#N	ZINC000575650386	387891764	/nfs/dbraw/zinc/89/17/64/387891764.db2.gz	UORWAYJZKNTLPM-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
COc1c(C#N)cc(C(F)F)cc1CC(=O)[O-]	ZINC000575343649	388811241	/nfs/dbraw/zinc/81/12/41/388811241.db2.gz	VSDIKFPXERAWPU-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
C=CCC[C@@H](NC(=O)C[C@H](C)C(C)C)C(=O)[O-]	ZINC000262951223	135324931	/nfs/dbraw/zinc/32/49/31/135324931.db2.gz	QRPHTZCUKCQUNG-WDEREUQCSA-N	-1	0	241.331	2.204	10	30		BEEERM
C=CCC[C@@H](NC(=O)C[C@@H](C)C(C)C)C(=O)[O-]	ZINC000262951218	135325056	/nfs/dbraw/zinc/32/50/56/135325056.db2.gz	QRPHTZCUKCQUNG-GHMZBOCLSA-N	-1	0	241.331	2.204	10	30		BEEERM
C#CC(=O)Nc1cc2ccccc2cc1C(=O)[O-]	ZINC000019471437	166108766	/nfs/dbraw/zinc/10/87/66/166108766.db2.gz	CPPUQRHXEHBMEW-UHFFFAOYSA-N	-1	0	239.230	2.110	10	30		BEEERM
C#CCN[C@](CC)(C(=O)[O-])c1ccc(CC)cc1	ZINC000041731336	166192787	/nfs/dbraw/zinc/19/27/87/166192787.db2.gz	NAQGXXVMHQJYBT-HNNXBMFYSA-N	-1	0	245.322	2.162	10	30		BEEERM
CC(C)Oc1ccccc1/C=C/C(=O)C(=O)[O-]	ZINC000058002581	167309122	/nfs/dbraw/zinc/30/91/22/167309122.db2.gz	PXMAEZKZBLINTG-BQYQJAHWSA-N	-1	0	234.251	2.141	10	30		BEEERM
CC(=C([O-])c1ccc(Cl)cc1)[N+](=O)[O-]	ZINC000015782979	175629902	/nfs/dbraw/zinc/62/99/02/175629902.db2.gz	ZQYMHNLDWHUMDS-LURJTMIESA-N	-1	0	213.620	2.188	10	30		BEEERM
C[C@H](C#N)CN(C)c1ccccc1/C=C/C(=O)[O-]	ZINC000042456174	176553249	/nfs/dbraw/zinc/55/32/49/176553249.db2.gz	ACJYBKATZMXGFZ-WSKFYRRCSA-N	-1	0	244.294	2.380	10	30		BEEERM
CC[C@](C=O)(C(=O)[O-])c1cc2ccccc2o1	ZINC000095079518	523525189	/nfs/dbraw/zinc/52/51/89/523525189.db2.gz	GDBGFTMATUPZEI-CYBMUJFWSA-N	-1	0	232.235	2.364	10	30		BEEERM
[O-]/N=C\c1c(F)ccc(C2OCCO2)c1Cl	ZINC000102246777	527589672	/nfs/dbraw/zinc/58/96/72/527589672.db2.gz	HBSWAZVQXCRCJA-ACAGNQJTSA-N	-1	0	245.637	2.333	10	30		BEEERM
C=CCOCSCc1ccc(C(=O)[O-])o1	ZINC000757138304	582517118	/nfs/dbraw/zinc/51/71/18/582517118.db2.gz	SOXURSGGTAFBRW-UHFFFAOYSA-N	-1	0	228.269	2.371	10	30		BEEERM
C#CCN(C)c1ccc(Cl)cc1C(=O)[O-]	ZINC000130201165	583578943	/nfs/dbraw/zinc/57/89/43/583578943.db2.gz	QIZSQXUFOPGSIU-UHFFFAOYSA-N	-1	0	223.659	2.108	10	30		BEEERM
C#CCC1(Nc2ccc(C(=O)[O-])o2)CCC1	ZINC000757175980	586433080	/nfs/dbraw/zinc/43/30/80/586433080.db2.gz	QHRCRJZQSKJZRA-UHFFFAOYSA-N	-1	0	219.240	2.336	10	30		BEEERM
C#CCN(CCC)c1ccccc1C(=O)[O-]	ZINC000134183458	591899607	/nfs/dbraw/zinc/89/96/07/591899607.db2.gz	ZLUGUBUJFWJIOH-UHFFFAOYSA-N	-1	0	217.268	2.234	10	30		BEEERM
C#C[C@@H](Nc1ccc(C(=O)[O-])cc1)C(C)C	ZINC000300823581	592521511	/nfs/dbraw/zinc/52/15/11/592521511.db2.gz	GKJGQGCYBNGMCT-GFCCVEGCSA-N	-1	0	217.268	2.455	10	30		BEEERM
C#C[C@H](Nc1ccc(C(=O)[O-])cc1)C(C)C	ZINC000300823586	592521540	/nfs/dbraw/zinc/52/15/40/592521540.db2.gz	GKJGQGCYBNGMCT-LBPRGKRZSA-N	-1	0	217.268	2.455	10	30		BEEERM
C#C[C@@H](C)Nc1cc(C)ccc1C(=O)[O-]	ZINC000158970968	632494724	/nfs/dbraw/zinc/49/47/24/632494724.db2.gz	SQIQQSZJMUEAJO-SECBINFHSA-N	-1	0	203.241	2.127	10	30		BEEERM
C#C[C@@H](CC)Nc1ccccc1C(=O)[O-]	ZINC000229996138	633006064	/nfs/dbraw/zinc/00/60/64/633006064.db2.gz	ZSZWYEFTHBPDKZ-VIFPVBQESA-N	-1	0	203.241	2.209	10	30		BEEERM
C#CC[C@@H](C)Nc1nc(Cl)ccc1C(=O)[O-]	ZINC000228976181	640908429	/nfs/dbraw/zinc/90/84/29/640908429.db2.gz	BQGCHWSFOJRVFP-SSDOTTSWSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#CC[C@H](C)Nc1c(F)cccc1C(=O)[O-]	ZINC000228977161	640908588	/nfs/dbraw/zinc/90/85/88/640908588.db2.gz	HMHIRSLPPJPEIO-QMMMGPOBSA-N	-1	0	221.231	2.348	10	30		BEEERM
O=C([O-])c1cc(C(=O)/C=C\c2cocn2)cs1	ZINC000588561421	959177660	/nfs/dbraw/zinc/17/76/60/959177660.db2.gz	LGOWORKPXPBCCB-UPHRSURJSA-N	-1	0	249.247	2.330	10	30		BEEERM
COc1ccc(O)c(C(=O)/C=C\c2cocn2)c1	ZINC000588579736	959347756	/nfs/dbraw/zinc/34/77/56/959347756.db2.gz	YTQSIYZGEPOMPQ-RQOWECAXSA-N	-1	0	245.234	2.285	10	30		BEEERM
C=C[C@@H](Sc1ncccc1C)C(=O)[O-]	ZINC000692570337	976528850	/nfs/dbraw/zinc/52/88/50/976528850.db2.gz	XFXLZYQTTZLSSK-MRVPVSSYSA-N	-1	0	209.270	2.121	10	30		BEEERM
C[C@@H](CCC#N)SC[C@@H](C)C(=O)[O-]	ZINC000695809086	976804607	/nfs/dbraw/zinc/80/46/07/976804607.db2.gz	KHFZFGKMHZDQCC-SFYZADRCSA-N	-1	0	201.291	2.133	10	30		BEEERM
Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](C#N)C1	ZINC000703632819	977171991	/nfs/dbraw/zinc/17/19/91/977171991.db2.gz	FBJIPVCXPIOENP-JTQLQIEISA-N	-1	0	248.282	2.022	10	30		BEEERM
Cc1ccc(OCC2(C#N)CC2)cc1C(=O)[O-]	ZINC000709437467	977457564	/nfs/dbraw/zinc/45/75/64/977457564.db2.gz	BYJMULLDLVDTFT-UHFFFAOYSA-N	-1	0	231.251	2.376	10	30		BEEERM
N#Cc1ccc(NC2CC(CC(=O)[O-])C2)cc1	ZINC000718114866	977952511	/nfs/dbraw/zinc/95/25/11/977952511.db2.gz	JAYAKJMCOPPWDJ-UHFFFAOYSA-N	-1	0	230.267	2.223	10	30		BEEERM
C=C1CCC(CNc2ncncc2C(=O)[O-])CC1	ZINC000724477534	978228591	/nfs/dbraw/zinc/22/85/91/978228591.db2.gz	JYRBSIXPGQQSSJ-UHFFFAOYSA-N	-1	0	247.298	2.333	10	30		BEEERM
CC(C)(Nc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000062790461	187323529	/nfs/dbraw/zinc/32/35/29/187323529.db2.gz	MLTDNFRXISTOPE-UHFFFAOYSA-N	-1	0	238.674	2.487	10	30		BEEERM
C#C[C@@H](CC)Nc1ccc(C(=O)[O-])cc1	ZINC000229996225	342862710	/nfs/dbraw/zinc/86/27/10/342862710.db2.gz	RVQHNBQZWVVHJT-JTQLQIEISA-N	-1	0	203.241	2.209	10	30		BEEERM
C=CC[N-]C(=S)S[C@H](C)OCC	ZINC000238307311	343255439	/nfs/dbraw/zinc/25/54/39/343255439.db2.gz	SDWQFOMIBDTVDZ-SSDOTTSWSA-N	-1	0	205.348	2.163	10	30		BEEERM
CSc1ccc(/C(C)=N/OCC(=O)[O-])cc1	ZINC000068892721	187256765	/nfs/dbraw/zinc/25/67/65/187256765.db2.gz	GHRHKYXWCQBMHY-XYOKQWHBSA-N	-1	0	239.296	2.234	10	30		BEEERM
C#CCSc1ccc(CC(=O)[O-])cc1	ZINC000075442767	187262050	/nfs/dbraw/zinc/26/20/50/187262050.db2.gz	MKIICXIWOJDZGH-UHFFFAOYSA-N	-1	0	206.266	2.039	10	30		BEEERM
O=C([O-])/C=C/C(=O)c1ccc(Cl)s1	ZINC000041229355	187264415	/nfs/dbraw/zinc/26/44/15/187264415.db2.gz	AOFZXXQQMVTGLC-DAFODLJHSA-N	-1	0	216.645	2.225	10	30		BEEERM
N#Cc1ccc(CC(=O)[O-])c(OC(F)(F)F)c1	ZINC000514276102	343647653	/nfs/dbraw/zinc/64/76/53/343647653.db2.gz	ZBDIYGOAIHCUEF-UHFFFAOYSA-N	-1	0	245.156	2.084	10	30		BEEERM
O=C([O-])c1ccc(C#CC(F)(F)F)cc1	ZINC000145383197	537820123	/nfs/dbraw/zinc/82/01/23/537820123.db2.gz	YORPAMBINQPFNF-UHFFFAOYSA-N	-1	0	214.142	2.299	10	30		BEEERM
O=C([O-])C#C[C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000127161607	343861636	/nfs/dbraw/zinc/86/16/36/343861636.db2.gz	RHMXYIWLWRUQKY-SFYZADRCSA-N	-1	0	220.190	2.443	10	30		BEEERM
CN(O)C(=O)COc1ccc2ccccc2c1	ZINC000028093533	344333399	/nfs/dbraw/zinc/33/33/99/344333399.db2.gz	CUKRCYAVFZBLCW-UHFFFAOYSA-N	-1	0	231.251	2.066	10	30		BEEERM
N#Cc1c(C=O)cc(C(F)F)cc1C(=O)[O-]	ZINC000396143264	344616762	/nfs/dbraw/zinc/61/67/62/344616762.db2.gz	ARCBBUZSQQDVIR-UHFFFAOYSA-N	-1	0	225.150	2.007	10	30		BEEERM
CCc1ccc(CC(=O)[O-])c(C#N)c1CC	ZINC000396150734	344623635	/nfs/dbraw/zinc/62/36/35/344623635.db2.gz	KDXOSKQUTMOOBD-UHFFFAOYSA-N	-1	0	217.268	2.310	10	30		BEEERM
N#Cc1c(CC(=O)[O-])ccc(F)c1C(F)F	ZINC000396156386	344627711	/nfs/dbraw/zinc/62/77/11/344627711.db2.gz	RVEAGNRAOBSUBA-UHFFFAOYSA-N	-1	0	229.157	2.262	10	30		BEEERM
Cc1cc(CC(=O)[O-])c(C#N)cc1C(F)F	ZINC000396156656	344628124	/nfs/dbraw/zinc/62/81/24/344628124.db2.gz	SQOBNTCCKCLYNK-UHFFFAOYSA-N	-1	0	225.194	2.431	10	30		BEEERM
N#Cc1c(F)cc(C(=O)[O-])cc1C(F)F	ZINC000396170010	344630947	/nfs/dbraw/zinc/63/09/47/344630947.db2.gz	ZYRMPPOTCJBGMY-UHFFFAOYSA-N	-1	0	215.130	2.333	10	30		BEEERM
CCc1cc(CC(=O)[O-])c(CC)cc1C#N	ZINC000396158772	344631960	/nfs/dbraw/zinc/63/19/60/344631960.db2.gz	VWBFVNZTFSBVTP-UHFFFAOYSA-N	-1	0	217.268	2.310	10	30		BEEERM
COc1cc(C(=O)[O-])c(C#N)cc1C(F)F	ZINC000396162607	344634591	/nfs/dbraw/zinc/63/45/91/344634591.db2.gz	PITBPTPBIVJFSO-UHFFFAOYSA-N	-1	0	227.166	2.203	10	30		BEEERM
CCc1c(C#N)ccc(CC(=O)[O-])c1Cl	ZINC000396163217	344634999	/nfs/dbraw/zinc/63/49/99/344634999.db2.gz	RJLFPXDDPQZXAQ-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
CCc1cc(Cl)cc(C#N)c1CC(=O)[O-]	ZINC000396166574	344636387	/nfs/dbraw/zinc/63/63/87/344636387.db2.gz	XALFLCPRMFVBSN-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
CC(C)C[C@H](CNc1cnccc1C#N)C(=O)[O-]	ZINC000135584634	344764235	/nfs/dbraw/zinc/76/42/35/344764235.db2.gz	LQMLVLOVFJFPKV-LLVKDONJSA-N	-1	0	247.298	2.112	10	30		BEEERM
N#Cc1c(C(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000514272247	344910392	/nfs/dbraw/zinc/91/03/92/344910392.db2.gz	JQVDOPDISVCOQU-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1cc(C=O)c(C(F)(F)F)cc1C(=O)[O-]	ZINC000514271936	344910576	/nfs/dbraw/zinc/91/05/76/344910576.db2.gz	PJVXBKAHUJSBGP-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1cc(F)c(C(F)(F)F)cc1CC(=O)[O-]	ZINC000514274811	344911112	/nfs/dbraw/zinc/91/11/12/344911112.db2.gz	PPUBCZXUMQOZDY-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
CCc1c(OC(F)F)ccc(C(=O)[O-])c1C#N	ZINC000514272518	344911251	/nfs/dbraw/zinc/91/12/51/344911251.db2.gz	CREHRTRHOUCKLD-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
COc1cc(C#N)cc(C(F)F)c1CC(=O)[O-]	ZINC000514274605	344911526	/nfs/dbraw/zinc/91/15/26/344911526.db2.gz	WSVUFCXSIJLXKA-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1c(CC(=O)[O-])ccc(F)c1C(F)(F)F	ZINC000514276333	344911956	/nfs/dbraw/zinc/91/19/56/344911956.db2.gz	CENVFDMKUMVLEL-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
C=C[C@H](C)NC(=O)c1ccc([S-])cc1	ZINC000235505193	344927706	/nfs/dbraw/zinc/92/77/06/344927706.db2.gz	KJXTUCXWZDLNDB-QMMMGPOBSA-N	-1	0	207.298	2.280	10	30		BEEERM
Cc1ccc(CC(=O)[O-])c(C#N)c1Cl	ZINC000307140920	345032915	/nfs/dbraw/zinc/03/29/15/345032915.db2.gz	BHMZOJIVTBMQFW-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
COC(=O)c1cc([S-])c(C#N)c(Cl)c1	ZINC000307291241	345428976	/nfs/dbraw/zinc/42/89/76/345428976.db2.gz	BGWUYQSNULJWSY-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
CC(C)C(=NOCCC(=O)[O-])C(C)C	ZINC000029216017	187320615	/nfs/dbraw/zinc/32/06/15/187320615.db2.gz	HTLPUOZLWXSSFA-UHFFFAOYSA-N	-1	0	201.266	2.146	10	30		BEEERM
N#Cc1cccc(Cn2ccc(C(=O)[O-])c2)c1	ZINC000091839858	346581379	/nfs/dbraw/zinc/58/13/79/346581379.db2.gz	LFGRBJACTOHCCR-UHFFFAOYSA-N	-1	0	226.235	2.106	10	30		BEEERM
C=C(Cl)CNc1ncc(Cl)c(=O)[n-]1	ZINC000307086092	350171901	/nfs/dbraw/zinc/17/19/01/350171901.db2.gz	NBHXPVIKIRTXNN-UHFFFAOYSA-N	-1	0	220.059	2.000	10	30		BEEERM
N#Cc1ccccc1[C@H]1CCCN1C(=O)[O-]	ZINC000616608078	350802778	/nfs/dbraw/zinc/80/27/78/350802778.db2.gz	VCHMVNJHMGYKCM-LLVKDONJSA-N	-1	0	216.240	2.373	10	30		BEEERM
N#Cc1ccccc1[C@@H]1CCCN1C(=O)[O-]	ZINC000616607975	350803023	/nfs/dbraw/zinc/80/30/23/350803023.db2.gz	VCHMVNJHMGYKCM-NSHDSACASA-N	-1	0	216.240	2.373	10	30		BEEERM
N#Cc1ccccc1[C@H]1CCN(C(=O)[O-])C1	ZINC000616610130	350807706	/nfs/dbraw/zinc/80/77/06/350807706.db2.gz	RXMYPNRBFQKOPB-JTQLQIEISA-N	-1	0	216.240	2.026	10	30		BEEERM
N#Cc1ccc([C@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000616618807	350924923	/nfs/dbraw/zinc/92/49/23/350924923.db2.gz	LUFUJFAIHZMWQB-LBPRGKRZSA-N	-1	0	230.267	2.416	10	30		BEEERM
N#Cc1ccc(F)c(Br)c1C(=O)[O-]	ZINC000306815013	351082977	/nfs/dbraw/zinc/08/29/77/351082977.db2.gz	CKUJCIFWPGPMBP-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
COC(=O)c1c(Cl)ccc([S-])c1C#N	ZINC000306985197	351402365	/nfs/dbraw/zinc/40/23/65/351402365.db2.gz	WEFCMYFXDUDJJP-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
N#Cc1c(Cl)cc(CC(=O)[O-])cc1Cl	ZINC000307030457	351431830	/nfs/dbraw/zinc/43/18/30/351431830.db2.gz	PMBJZICEMDSTSR-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
N#CCc1cc(O)c(F)cc1Br	ZINC000307041695	351443590	/nfs/dbraw/zinc/44/35/90/351443590.db2.gz	PQMRXWOIWOFLQS-UHFFFAOYSA-N	-1	0	230.036	2.360	10	30		BEEERM
C#Cc1ccc(Br)c(C(=O)[O-])c1	ZINC000307183490	351581754	/nfs/dbraw/zinc/58/17/54/351581754.db2.gz	PLWBQJNNCDCMGN-UHFFFAOYSA-N	-1	0	225.041	2.129	10	30		BEEERM
Cc1c(C#N)ccc(Cl)c1CC(=O)[O-]	ZINC000307266172	351814489	/nfs/dbraw/zinc/81/44/89/351814489.db2.gz	GEBYFMUDUKLEEC-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
Cc1ccc(C#C[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000169318056	187564855	/nfs/dbraw/zinc/56/48/55/187564855.db2.gz	PTLLMNJHDOXTIX-RYUDHWBXSA-N	-1	0	200.237	2.067	10	30		BEEERM
CCc1ccc(C#N)c(C(=O)[O-])c1Cl	ZINC000307446201	352602226	/nfs/dbraw/zinc/60/22/26/352602226.db2.gz	WGRFWWINFLSMRK-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
C=C[C@@H](C)Nc1nc(Cl)ccc1C(=O)[O-]	ZINC000229236324	352666223	/nfs/dbraw/zinc/66/62/23/352666223.db2.gz	BTRAMCPYUNTGPC-ZCFIWIBFSA-N	-1	0	226.663	2.420	10	30		BEEERM
CO/N=C/c1ccc(O)c(Br)c1	ZINC000307528048	352634938	/nfs/dbraw/zinc/63/49/38/352634938.db2.gz	SLXNQZHPINFAKP-BJMVGYQFSA-N	-1	0	230.061	2.135	10	30		BEEERM
C=CC[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000137095746	188051311	/nfs/dbraw/zinc/05/13/11/188051311.db2.gz	HBZSMWUAIOCOGH-NSHDSACASA-N	-1	0	206.241	2.440	10	30		BEEERM
C=CCCC(=O)Nc1ccccc1OCC(=O)[O-]	ZINC000104316133	188052280	/nfs/dbraw/zinc/05/22/80/188052280.db2.gz	NQSGISKLUYTVHY-UHFFFAOYSA-N	-1	0	249.266	2.055	10	30		BEEERM
C=CCSc1nc(-c2ccccc2)nc(=O)[n-]1	ZINC000090750868	188271944	/nfs/dbraw/zinc/27/19/44/188271944.db2.gz	LASVLTXNRGTFNO-UHFFFAOYSA-N	-1	0	245.307	2.110	10	30		BEEERM
CC(C)N(CCC(=O)[O-])c1ccccc1C#N	ZINC000037592907	188287168	/nfs/dbraw/zinc/28/71/68/188287168.db2.gz	CADHSJBBJQETKV-UHFFFAOYSA-N	-1	0	232.283	2.248	10	30		BEEERM
C/C(=N/O)c1ccc(C)cc1OCC(C)(C)O	ZINC000104334380	188324438	/nfs/dbraw/zinc/32/44/38/188324438.db2.gz	UEOBMECMPHGQSU-UVTDQMKNSA-N	-1	0	237.299	2.343	10	30		BEEERM
C=C[C@H](C)Sc1ccc(C(=O)[O-])cn1	ZINC000052140759	188332303	/nfs/dbraw/zinc/33/23/03/188332303.db2.gz	AHOIZRSWJKDTQE-ZETCQYMHSA-N	-1	0	209.270	2.446	10	30		BEEERM
C=C(Cl)C[N@H+]1CCCC(C)(C)[C@@H]1C(=O)[O-]	ZINC000232801685	353508379	/nfs/dbraw/zinc/50/83/79/353508379.db2.gz	GDEKMCSLQHUXDE-VIFPVBQESA-N	-1	0	231.723	2.314	10	30		BEEERM
C=CCCCN(C)C(=O)c1cc(OC)ccc1O	ZINC000134879979	353516725	/nfs/dbraw/zinc/51/67/25/353516725.db2.gz	KYDOYWPNAAHJFK-UHFFFAOYSA-N	-1	0	249.310	2.439	10	30		BEEERM
C=C[C@@H](C)c1c(O)cc(C(=O)[O-])cc1OC	ZINC000098180163	188406627	/nfs/dbraw/zinc/40/66/27/188406627.db2.gz	ZZHHWSAXSCVSEZ-SSDOTTSWSA-N	-1	0	222.240	2.389	10	30		BEEERM
N#C[C@@H](C(=O)[O-])c1cccc(Br)c1	ZINC000049830003	181054025	/nfs/dbraw/zinc/05/40/25/181054025.db2.gz	RPELTFPCNDRAMB-MRVPVSSYSA-N	-1	0	240.056	2.141	10	30		BEEERM
N#C[C@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000049830006	181062889	/nfs/dbraw/zinc/06/28/89/181062889.db2.gz	RXRYFTBKRLFHSP-QMMMGPOBSA-N	-1	0	240.056	2.141	10	30		BEEERM
N#Cc1c(F)c([O-])ccc1Br	ZINC000075926740	181072541	/nfs/dbraw/zinc/07/25/41/181072541.db2.gz	LMEHOMWNANRHSW-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
N#CC1=C([O-])CC(=O)C[C@@H]1c1ccccc1	ZINC000100905358	181068011	/nfs/dbraw/zinc/06/80/11/181068011.db2.gz	LFXTTZMNZZKSPO-VXGBXAGGSA-N	-1	0	213.236	2.325	10	30		BEEERM
N#Cc1ccc(F)c(-c2cnccc2C(=O)[O-])c1	ZINC000065347687	181112923	/nfs/dbraw/zinc/11/29/23/181112923.db2.gz	NEOJAXWDSHGPDU-UHFFFAOYSA-N	-1	0	242.209	2.458	10	30		BEEERM
N#Cc1cnc(-c2cccc(Cl)c2)[n-]c1=O	ZINC000071535704	181161103	/nfs/dbraw/zinc/16/11/03/181161103.db2.gz	ACMRJGQQUYMFGY-UHFFFAOYSA-N	-1	0	231.642	2.374	10	30		BEEERM
N#Cc1ccc([S@](=O)[O-])cc1C(F)(F)F	ZINC000675059391	538483905	/nfs/dbraw/zinc/48/39/05/538483905.db2.gz	HGJDNPVPNQDZDY-UHFFFAOYSA-N	-1	0	235.186	2.158	10	30		BEEERM
C=CC/C(=N/[O-])c1ccc([N+](=O)[O-])cc1	ZINC000584613632	358278013	/nfs/dbraw/zinc/27/80/13/358278013.db2.gz	ULTSZEIQDFHWAI-KHPPLWFESA-N	-1	0	206.201	2.349	10	30		BEEERM
C=CCCc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000584597660	358255047	/nfs/dbraw/zinc/25/50/47/358255047.db2.gz	MVBAIHRWWOKTID-UHFFFAOYSA-N	-1	0	221.212	2.412	10	30		BEEERM
CC(/C=C/[C@](C)(O)C1(C#N)CCC1)=C(\C)C(=O)[O-]	ZINC000584624019	358292027	/nfs/dbraw/zinc/29/20/27/358292027.db2.gz	NWUMJSVJXTVDPN-KLSBFWDQSA-N	-1	0	249.310	2.408	10	30		BEEERM
COc1ccc2c(c1)O[C@H](C1CC1)C/C2=N\[O-]	ZINC000584636033	358320614	/nfs/dbraw/zinc/32/06/14/358320614.db2.gz	DQGHEUKQRQMAPY-SEVUAYLXSA-N	-1	0	233.267	2.435	10	30		BEEERM
COC(=O)c1cc([S-])cc(C#N)c1Cl	ZINC000306601599	360526487	/nfs/dbraw/zinc/52/64/87/360526487.db2.gz	KBGMCDCXMOHNLV-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
Cc1ccc(C(=O)[O-])c(Br)c1C#N	ZINC000306601066	360527642	/nfs/dbraw/zinc/52/76/42/360527642.db2.gz	JODSKBKSBHWYLT-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
Cc1c(C#N)ccc(C(=O)[O-])c1Br	ZINC000306608913	360574114	/nfs/dbraw/zinc/57/41/14/360574114.db2.gz	XHHHRWNTRULXDS-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
CCC#Cc1cc(C)ccc1S(=O)(=O)[O-]	ZINC000071610858	368337067	/nfs/dbraw/zinc/33/70/67/368337067.db2.gz	SINPCQWASDNKBZ-UHFFFAOYSA-N	-1	0	224.281	2.003	10	30		BEEERM
O=C(/C=N/[O-])c1ccccc1Br	ZINC000141699113	368412690	/nfs/dbraw/zinc/41/26/90/368412690.db2.gz	YRUDEXOYOJEORP-BJMVGYQFSA-N	-1	0	228.045	2.092	10	30		BEEERM
Cc1cc(C#N)c(Br)c(C(=O)[O-])c1	ZINC000306605944	372045629	/nfs/dbraw/zinc/04/56/29/372045629.db2.gz	QQAOZAXTPSODPP-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
C#CC(C)(C)Nc1ccccc1C(=O)[O-]	ZINC000070119545	374120642	/nfs/dbraw/zinc/12/06/42/374120642.db2.gz	GDJUEMDXGHMLGG-UHFFFAOYSA-N	-1	0	203.241	2.209	10	30		BEEERM
O=C([O-])c1cc(CS)cc(CS)c1	ZINC000075624333	182554485	/nfs/dbraw/zinc/55/44/85/182554485.db2.gz	DXJTZNDICCWSDR-UHFFFAOYSA-N	-1	0	214.311	2.244	10	30		BEEERM
CCOc1c(C#N)ccc(CC#N)c1[S-]	ZINC000575649767	383992133	/nfs/dbraw/zinc/99/21/33/383992133.db2.gz	SOYUBDGSJBOTPB-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
O=C(/C=N/[O-])c1ccc(Br)cc1	ZINC000038976267	384098845	/nfs/dbraw/zinc/09/88/45/384098845.db2.gz	FFJWXANTUQPJJO-BJMVGYQFSA-N	-1	0	228.045	2.092	10	30		BEEERM
CCc1cc2c([O-])c(C#N)c(=O)oc2cc1C	ZINC000082295886	384103025	/nfs/dbraw/zinc/10/30/25/384103025.db2.gz	HCZGASDZUXBEAK-UHFFFAOYSA-N	-1	0	229.235	2.241	10	30		BEEERM
CCOc1ccc(N=Nc2c(C)[n-][nH]c2=O)cc1	ZINC000005817637	384132462	/nfs/dbraw/zinc/13/24/62/384132462.db2.gz	BPDMZRJHPOGOSE-UHFFFAOYSA-N	-1	0	246.270	2.199	10	30		BEEERM
O=C(C=C([O-])c1ccccn1)C(F)(F)F	ZINC000100404606	384442318	/nfs/dbraw/zinc/44/23/18/384442318.db2.gz	CMABDQMPACAYBU-ALCCZGGFSA-N	-1	0	217.146	2.112	10	30		BEEERM
[O-]/N=C/c1ccc(F)cc1Br	ZINC000100473075	384643720	/nfs/dbraw/zinc/64/37/20/384643720.db2.gz	RTEIVRVDVVVSMK-ONNFQVAWSA-N	-1	0	218.025	2.396	10	30		BEEERM
C[C@H](Nc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000052856145	386140043	/nfs/dbraw/zinc/14/00/43/386140043.db2.gz	ZZWSADTWLVGBSJ-LURJTMIESA-N	-1	0	224.647	2.097	10	30		BEEERM
N#Cc1cc(F)c(CC(=O)[O-])cc1C(F)(F)F	ZINC000575344900	386711641	/nfs/dbraw/zinc/71/16/41/386711641.db2.gz	HEICAPNDRVVDQG-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1cc(C(=O)[O-])cc(C(F)F)c1[N+](=O)[O-]	ZINC000575344271	386691616	/nfs/dbraw/zinc/69/16/16/386691616.db2.gz	ZWJLRZOYLNGCFI-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1cc(CC(=O)[O-])c(F)c(C(F)(F)F)c1	ZINC000575345166	386708848	/nfs/dbraw/zinc/70/88/48/386708848.db2.gz	ZPDPBKCYZXSRHU-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
CCc1c(C#N)ccc(OC(F)F)c1C(=O)[O-]	ZINC000575385316	386943376	/nfs/dbraw/zinc/94/33/76/386943376.db2.gz	KNPCJBZZRGLGGV-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
CCc1cc(C#N)cc(OC(F)F)c1C(=O)[O-]	ZINC000575385272	386944044	/nfs/dbraw/zinc/94/40/44/386944044.db2.gz	HRSCGKYNOUVMDI-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
N#Cc1ccc(C(F)F)c(C(=O)[O-])c1[N+](=O)[O-]	ZINC000575389534	386952581	/nfs/dbraw/zinc/95/25/81/386952581.db2.gz	UKYHOHRPKYEYKG-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
CCOC(=O)c1cc(C#N)cc(C(F)F)c1[O-]	ZINC000575387879	386956634	/nfs/dbraw/zinc/95/66/34/386956634.db2.gz	QSDIIPNCBMHDOM-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
N#Cc1cc(F)cc(C(=O)[O-])c1OC(F)(F)F	ZINC000575390562	386959813	/nfs/dbraw/zinc/95/98/13/386959813.db2.gz	XNMRCFUSOZNXDH-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
COc1cc(C#N)cc(C(=O)[O-])c1C(F)(F)F	ZINC000575394456	386991579	/nfs/dbraw/zinc/99/15/79/386991579.db2.gz	LSJNYHWDUIGJOQ-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
O=C(/C=C/Cl)c1c([O-])cccc1F	ZINC000575462539	387036333	/nfs/dbraw/zinc/03/63/33/387036333.db2.gz	KZLWBARBCQYYNG-SNAWJCMRSA-N	-1	0	200.596	2.467	10	30		BEEERM
N#Cc1cc([O-])c(C(F)F)c([N+](=O)[O-])c1	ZINC000575669325	387329915	/nfs/dbraw/zinc/32/99/15/387329915.db2.gz	SFMCSGYTYGOVQP-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
Cc1c(Br)ccc(C#N)c1C(=O)[O-]	ZINC000306605043	387589620	/nfs/dbraw/zinc/58/96/20/387589620.db2.gz	OZOFZWBWRBSMAH-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
CCOc1cc([S-])c(C#N)cc1CC#N	ZINC000575648206	387893492	/nfs/dbraw/zinc/89/34/92/387893492.db2.gz	NZFRIWCUYZUOKJ-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
C/C(=N\[O-])c1ccc([N+](=O)[O-])cc1Cl	ZINC000306366107	387916269	/nfs/dbraw/zinc/91/62/69/387916269.db2.gz	FJHHFBDQJNBBKF-BJMVGYQFSA-N	-1	0	214.608	2.446	10	30		BEEERM
Cc1cc(C)c(C(=O)[O-])c(SCC#N)n1	ZINC000041635787	388437889	/nfs/dbraw/zinc/43/78/89/388437889.db2.gz	SWRWNCXERCBVNY-UHFFFAOYSA-N	-1	0	222.269	2.012	10	30		BEEERM
O=C([O-])C#Cc1cc2cscc2s1	ZINC000575452043	388746715	/nfs/dbraw/zinc/74/67/15/388746715.db2.gz	HCVQRRTYJNDOTN-UHFFFAOYSA-N	-1	0	208.263	2.399	10	30		BEEERM
N#Cc1c(F)ccc(C(F)(F)F)c1CC(=O)[O-]	ZINC000575345048	388843783	/nfs/dbraw/zinc/84/37/83/388843783.db2.gz	RRNNAPCIBSHWNV-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
CC1(C(=O)[O-])CCN(c2ccccc2C#N)CC1	ZINC000062843753	132388618	/nfs/dbraw/zinc/38/86/18/132388618.db2.gz	SAUHDLSZLHCTDX-UHFFFAOYSA-N	-1	0	244.294	2.249	10	30		BEEERM
C=CCCOc1cnc(C(C)C)nc1C(=O)[O-]	ZINC000050362923	166289608	/nfs/dbraw/zinc/28/96/08/166289608.db2.gz	XTRFMEJRKOMVMB-UHFFFAOYSA-N	-1	0	236.271	2.253	10	30		BEEERM
CCC(=O)Nc1ccccc1/C(C)=N/O	ZINC000019440620	168247571	/nfs/dbraw/zinc/24/75/71/168247571.db2.gz	OUSJUYUNYIRQEW-MDWZMJQESA-N	-1	0	206.245	2.233	10	30		BEEERM
COc1ccc(OC)c(/C(Cl)=N/[O-])c1	ZINC000228815594	322929737	/nfs/dbraw/zinc/92/97/37/322929737.db2.gz	SGTOYCNFMMCYJJ-LUAWRHEFSA-N	-1	0	215.636	2.078	10	30		BEEERM
COc1ccc(C(=O)/C=C/C(=O)[O-])c(Cl)c1	ZINC000071463749	175051872	/nfs/dbraw/zinc/05/18/72/175051872.db2.gz	OFPMYRYAXINAKW-SNAWJCMRSA-N	-1	0	240.642	2.172	10	30		BEEERM
CC(=NOCC(=O)[O-])c1ccc(Cl)cc1	ZINC000252453803	519351633	/nfs/dbraw/zinc/35/16/33/519351633.db2.gz	VPZKWIDEBRBPHA-UHFFFAOYSA-N	-1	0	227.647	2.165	10	30		BEEERM
O=C([O-])C(=O)/C=C/c1ccc2ccccc2c1O	ZINC000001532262	560181740	/nfs/dbraw/zinc/18/17/40/560181740.db2.gz	XAFGQLAMLVMFHU-BQYQJAHWSA-N	-1	0	242.230	2.212	10	30	in-vitro	BEEERM
CCSc1cc(C#CC(=O)[O-])ccc1C=O	ZINC000757566001	586305078	/nfs/dbraw/zinc/30/50/78/586305078.db2.gz	DDKBSXOJKCXLGG-UHFFFAOYSA-N	-1	0	234.276	2.047	10	30		BEEERM
CC#CCCNc1ccc(C(=O)[O-])cc1	ZINC000125853519	590193816	/nfs/dbraw/zinc/19/38/16/590193816.db2.gz	IVCLXLJBNDIAJK-UHFFFAOYSA-N	-1	0	203.241	2.210	10	30		BEEERM
CC#CCCNc1cc(C(=O)[O-])c(Cl)cn1	ZINC000166482262	640642917	/nfs/dbraw/zinc/64/29/17/640642917.db2.gz	AQDYXLXMWUOZAN-UHFFFAOYSA-N	-1	0	238.674	2.259	10	30		BEEERM
C#C[C@H](CC)Nc1c(F)cccc1C(=O)[O-]	ZINC000229996335	641003131	/nfs/dbraw/zinc/00/31/31/641003131.db2.gz	BIZOWJXIUINJCD-MRVPVSSYSA-N	-1	0	221.231	2.348	10	30		BEEERM
C#CCSCCNc1ccc(C(=O)[O-])cc1	ZINC000231952058	641220833	/nfs/dbraw/zinc/22/08/33/641220833.db2.gz	NBIMDYIZCTVVBO-UHFFFAOYSA-N	-1	0	235.308	2.163	10	30		BEEERM
C#CC(C)(C)Nc1ncc(C(=O)[O-])cc1Cl	ZINC000069682869	642894287	/nfs/dbraw/zinc/89/42/87/642894287.db2.gz	CKCZYSZPBMOVCZ-UHFFFAOYSA-N	-1	0	238.674	2.257	10	30		BEEERM
CCCC(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048518101	711769514	/nfs/dbraw/zinc/76/95/14/711769514.db2.gz	JHZGUENQXOZMSI-UHFFFAOYSA-N	-1	0	241.312	2.440	10	30		BEEERM
N#CC1(CSc2ncccc2C(=O)[O-])CC1	ZINC000691573901	976369264	/nfs/dbraw/zinc/36/92/64/976369264.db2.gz	XBHGUESZBOQNQW-UHFFFAOYSA-N	-1	0	234.280	2.176	10	30		BEEERM
O=C(/C=C\c1cocn1)c1ccc([O-])c(F)c1	ZINC000588579997	959343564	/nfs/dbraw/zinc/34/35/64/959343564.db2.gz	ZBSUYOSELVTQDO-RQOWECAXSA-N	-1	0	233.198	2.415	10	30		BEEERM
CCCCCCCC(=O)NC/C=C(\C)C(=O)[O-]	ZINC000692447939	976484760	/nfs/dbraw/zinc/48/47/60/976484760.db2.gz	CDPOLWTXHBBQMF-PKNBQFBNSA-N	-1	0	241.331	2.494	10	30		BEEERM
C=C1CN(C(=O)Nc2cc(C(=O)[O-])ccc2C)C1	ZINC000701930605	977054953	/nfs/dbraw/zinc/05/49/53/977054953.db2.gz	FBLIJNOVZIYZGY-UHFFFAOYSA-N	-1	0	246.266	2.097	10	30		BEEERM
N#Cc1ccc(NC2CC(CC(=O)[O-])C2)c(F)c1	ZINC000718127840	977954810	/nfs/dbraw/zinc/95/48/10/977954810.db2.gz	AJYUZHQCFQLXFP-UHFFFAOYSA-N	-1	0	248.257	2.363	10	30		BEEERM
C=C1CCC(CNc2cnc(C(=O)[O-])cn2)CC1	ZINC000724474855	978228298	/nfs/dbraw/zinc/22/82/98/978228298.db2.gz	LJLAEBWVDCLSTQ-UHFFFAOYSA-N	-1	0	247.298	2.333	10	30		BEEERM
Cc1ccc(C#N)c(S[C@H](C)C(=O)[O-])c1	ZINC000051578514	178366489	/nfs/dbraw/zinc/36/64/89/178366489.db2.gz	MQBXHRSSOMEUHH-MRVPVSSYSA-N	-1	0	221.281	2.432	10	30		BEEERM
N#CCc1cc(F)c([O-])c(Br)c1	ZINC000216658074	342834714	/nfs/dbraw/zinc/83/47/14/342834714.db2.gz	GFDVHQSYVRFYRZ-UHFFFAOYSA-N	-1	0	230.036	2.360	10	30		BEEERM
N#Cc1c[n-]c2c(F)ccc(Cl)c2c1=O	ZINC000019502374	187252978	/nfs/dbraw/zinc/25/29/78/187252978.db2.gz	NZJUALPFBBMWNH-UHFFFAOYSA-N	-1	0	222.606	2.192	10	30		BEEERM
C=CCNc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000003601697	343398453	/nfs/dbraw/zinc/39/84/53/343398453.db2.gz	UPNBDHDPMYTOHW-SECBINFHSA-N	-1	0	205.257	2.473	10	30		BEEERM
N#Cc1cccc([C@H]2CCN(C(=O)[O-])C2)c1	ZINC000616610139	343520090	/nfs/dbraw/zinc/52/00/90/343520090.db2.gz	SLMHMJNXUNRFAJ-NSHDSACASA-N	-1	0	216.240	2.026	10	30		BEEERM
N#CC=C([O-])c1nscc1Br	ZINC000404752351	343605585	/nfs/dbraw/zinc/60/55/85/343605585.db2.gz	XRYNFWICLPRMFR-UHFFFAOYSA-N	-1	0	231.074	2.002	10	30		BEEERM
N#C[C@@H](C(=O)[O-])c1ccccc1Br	ZINC000070821164	343956467	/nfs/dbraw/zinc/95/64/67/343956467.db2.gz	CCCXLCAXNHXPHJ-SSDOTTSWSA-N	-1	0	240.056	2.141	10	30		BEEERM
Cc1cc(C#N)cc(C(F)F)c1CC(=O)[O-]	ZINC000396146008	344619488	/nfs/dbraw/zinc/61/94/88/344619488.db2.gz	BJTOZSLNSXIYHY-UHFFFAOYSA-N	-1	0	225.194	2.431	10	30		BEEERM
N#Cc1c(F)c(C(F)F)ccc1CC(=O)[O-]	ZINC000396155384	344626951	/nfs/dbraw/zinc/62/69/51/344626951.db2.gz	QHDOANPQVANTSM-UHFFFAOYSA-N	-1	0	229.157	2.262	10	30		BEEERM
COc1cc(C(=O)[O-])c(C(F)F)cc1C#N	ZINC000396170001	344630826	/nfs/dbraw/zinc/63/08/26/344630826.db2.gz	ZWFOAFYUBPPWRG-UHFFFAOYSA-N	-1	0	227.166	2.203	10	30		BEEERM
N#Cc1cc(C(F)(F)F)c(F)cc1C(=O)[O-]	ZINC000396159038	344632517	/nfs/dbraw/zinc/63/25/17/344632517.db2.gz	LMUKYWDPYIHXER-UHFFFAOYSA-N	-1	0	233.120	2.414	10	30		BEEERM
Cc1c(C#N)ccc(C(=O)[O-])c1OC(F)F	ZINC000396162505	344634751	/nfs/dbraw/zinc/63/47/51/344634751.db2.gz	OYYIVKJRBOXXTK-UHFFFAOYSA-N	-1	0	227.166	2.166	10	30		BEEERM
Cc1c(OC(F)F)ccc(CC(=O)[O-])c1C#N	ZINC000514276417	344912072	/nfs/dbraw/zinc/91/20/72/344912072.db2.gz	XTLKERDSDWTSDQ-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
C#CC(C)(C)Oc1ccc(C(=O)[O-])cc1	ZINC000044224696	344986460	/nfs/dbraw/zinc/98/64/60/344986460.db2.gz	GEHPXDSOAFQSTJ-UHFFFAOYSA-N	-1	0	204.225	2.175	10	30		BEEERM
C=C[C@H](C)Sc1nc(C)nc(C)c1C(=O)[O-]	ZINC000052140728	187299788	/nfs/dbraw/zinc/29/97/88/187299788.db2.gz	JVMPESBSTGAEHR-LURJTMIESA-N	-1	0	238.312	2.458	10	30		BEEERM
C=C[C@H](C)Nc1ccc(Cl)c(C(=O)[O-])n1	ZINC000229236380	345461526	/nfs/dbraw/zinc/46/15/26/345461526.db2.gz	ZLKVVTNBSDVRPW-LURJTMIESA-N	-1	0	226.663	2.420	10	30		BEEERM
C=C(C)[C@H](Nc1ccccc1F)C(=O)[O-]	ZINC000158906001	345823820	/nfs/dbraw/zinc/82/38/20/345823820.db2.gz	LUSXXGBSIJDKID-JTQLQIEISA-N	-1	0	209.220	2.267	10	30		BEEERM
C=CCC(=O)Nc1cc(F)ccc1C(=O)[O-]	ZINC000054399573	187316992	/nfs/dbraw/zinc/31/69/92/187316992.db2.gz	AELQLRGUQZIISA-UHFFFAOYSA-N	-1	0	223.203	2.039	10	30		BEEERM
CC(C#N)=C([O-])c1ccc(Br)o1	ZINC000036935070	347963734	/nfs/dbraw/zinc/96/37/34/347963734.db2.gz	OETIANAWVCXOSW-RXMQYKEDSA-N	-1	0	228.045	2.384	10	30		BEEERM
C[C@H](Oc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000128903303	350887878	/nfs/dbraw/zinc/88/78/78/350887878.db2.gz	RAAYPEOGAAOMQO-LURJTMIESA-N	-1	0	225.631	2.064	10	30		BEEERM
CC#CCNc1cc(Cl)ccc1C(=O)[O-]	ZINC000168075787	351286605	/nfs/dbraw/zinc/28/66/05/351286605.db2.gz	OWMRALRHQYDYMU-UHFFFAOYSA-N	-1	0	223.659	2.473	10	30		BEEERM
CCc1cc(C#N)cc(Cl)c1C(=O)[O-]	ZINC000306936725	351360959	/nfs/dbraw/zinc/36/09/59/351360959.db2.gz	JVAYLKMTRNYJBU-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
N#Cc1c(Br)ccc(F)c1C(=O)[O-]	ZINC000307162487	351523771	/nfs/dbraw/zinc/52/37/71/351523771.db2.gz	LIFDTGKVVLLXCR-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
O=C([O-])C#Cc1ccc2sccc2c1	ZINC000307217237	351617548	/nfs/dbraw/zinc/61/75/48/351617548.db2.gz	UPBPLMQPOCUQII-UHFFFAOYSA-N	-1	0	202.234	2.337	10	30		BEEERM
Cc1ccc(C#N)c(Cl)c1CC(=O)[O-]	ZINC000307272389	351825238	/nfs/dbraw/zinc/82/52/38/351825238.db2.gz	UJAPITGNHCIEGV-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
O=C([O-])C#Cc1cccc(Cl)c1Cl	ZINC000082501883	538104364	/nfs/dbraw/zinc/10/43/64/538104364.db2.gz	NKOJJLUKYNHFBL-UHFFFAOYSA-N	-1	0	215.035	2.430	10	30		BEEERM
COC(=O)c1c([S-])cc(C#N)cc1Cl	ZINC000307549913	352647442	/nfs/dbraw/zinc/64/74/42/352647442.db2.gz	QNSCMQKQCOXWPF-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
O=C([O-])/C(Cc1ccc2ccccc2c1)=N\O	ZINC000725273863	538104715	/nfs/dbraw/zinc/10/47/15/538104715.db2.gz	OFALRHHPLDOPOB-OWBHPGMISA-N	-1	0	229.235	2.297	10	30		BEEERM
N#CC=C([O-])c1ccoc1Br	ZINC000232464183	352716964	/nfs/dbraw/zinc/71/69/64/352716964.db2.gz	QZAUGCZKZJDBNU-UHFFFAOYSA-N	-1	0	214.018	2.138	10	30		BEEERM
O=C([O-])C#C[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000129530685	353323431	/nfs/dbraw/zinc/32/34/31/353323431.db2.gz	QHOPSMPJUWCIHI-YUMQZZPRSA-N	-1	0	220.190	2.443	10	30		BEEERM
CC#Cc1nc(C(C)C)c(C(=O)[O-])s1	ZINC000083345827	188356072	/nfs/dbraw/zinc/35/60/72/188356072.db2.gz	RXROAORBQUOAGM-UHFFFAOYSA-N	-1	0	209.270	2.336	10	30		BEEERM
N#Cc1ccccc1SCCC(=O)[O-]	ZINC000020075545	188351388	/nfs/dbraw/zinc/35/13/88/188351388.db2.gz	LWBKDPTZOOTKLP-UHFFFAOYSA-N	-1	0	207.254	2.125	10	30		BEEERM
C#Cc1ccc([C@@H](C(=O)[O-])C(C)C)cc1	ZINC000039120411	188397087	/nfs/dbraw/zinc/39/70/87/188397087.db2.gz	NGVULFRVDGBPHM-LBPRGKRZSA-N	-1	0	202.253	2.492	10	30		BEEERM
CC(=N[O-])c1ccccc1OC(F)F	ZINC000252369941	363230352	/nfs/dbraw/zinc/23/03/52/363230352.db2.gz	GTFNJLGVLLODSE-UHFFFAOYSA-N	-1	0	201.172	2.486	10	30		BEEERM
C=C[C@H](Nc1ccccc1Cl)C(=O)[O-]	ZINC000301021968	363334022	/nfs/dbraw/zinc/33/40/22/363334022.db2.gz	KPUOJNXGQIGPCC-QMMMGPOBSA-N	-1	0	211.648	2.391	10	30		BEEERM
N#Cc1cc(Cl)c(Cl)c([O-])c1O	ZINC000039096410	181085600	/nfs/dbraw/zinc/08/56/00/181085600.db2.gz	PVSPFEYNKCJBJN-UHFFFAOYSA-N	-1	0	204.012	2.276	10	30		BEEERM
N#Cc1ccc(-c2c[nH]c(=O)cc2C(=O)[O-])cc1	ZINC000065347174	181095674	/nfs/dbraw/zinc/09/56/74/181095674.db2.gz	WJQVVWWCTLNOTR-UHFFFAOYSA-N	-1	0	240.218	2.024	10	30		BEEERM
N#Cc1cc2c([n-]c1=O)-c1ccccc1CCC2	ZINC000043404411	181092988	/nfs/dbraw/zinc/09/29/88/181092988.db2.gz	CLYAWZNLLGLKLX-UHFFFAOYSA-N	-1	0	236.274	2.402	10	30		BEEERM
N#Cc1cccc(Oc2cc(C(=O)[O-])ccn2)c1	ZINC000019813086	181143145	/nfs/dbraw/zinc/14/31/45/181143145.db2.gz	RYOJWQYEGIQCPV-UHFFFAOYSA-N	-1	0	240.218	2.444	10	30		BEEERM
N#Cc1cccnc1Oc1ccccc1C(=O)[O-]	ZINC000044381636	181153751	/nfs/dbraw/zinc/15/37/51/181153751.db2.gz	UOEFMBDRNWMMCO-UHFFFAOYSA-N	-1	0	240.218	2.444	10	30		BEEERM
N#Cc1ccnc(Oc2ccc(C(=O)[O-])cc2)c1	ZINC000045949048	181158501	/nfs/dbraw/zinc/15/85/01/181158501.db2.gz	LTBJYMKJMDASOP-UHFFFAOYSA-N	-1	0	240.218	2.444	10	30		BEEERM
C=C[C@H](C)Nc1cc(C(=O)[O-])c(Cl)cn1	ZINC000166481251	355529652	/nfs/dbraw/zinc/52/96/52/355529652.db2.gz	BJNPKYDNCFLUDX-LURJTMIESA-N	-1	0	226.663	2.420	10	30		BEEERM
CC(C)(C)OC(=O)C#Cc1ccccc1C(=O)[O-]	ZINC000675077964	538513963	/nfs/dbraw/zinc/51/39/63/538513963.db2.gz	LBLIIKOHQWSSFN-UHFFFAOYSA-N	-1	0	246.262	2.078	10	30		BEEERM
CC(C)(C)OC(=O)C#Cc1cccc(C(=O)[O-])c1	ZINC000675079442	538518791	/nfs/dbraw/zinc/51/87/91/538518791.db2.gz	YWFSTIQRLCDORO-UHFFFAOYSA-N	-1	0	246.262	2.078	10	30		BEEERM
O=C1c2cccnc2C([O-])=C1c1ccncc1	ZINC000584638026	358323418	/nfs/dbraw/zinc/32/34/18/358323418.db2.gz	FNRRPAKCMPVPAK-UHFFFAOYSA-N	-1	0	224.219	2.099	10	30		BEEERM
N#Cc1cccc(-n2[n-]c3c(c2=O)CCC3)c1	ZINC000104707420	358351454	/nfs/dbraw/zinc/35/14/54/358351454.db2.gz	QENDXUFIHZSWIE-LLVKDONJSA-N	-1	0	225.251	2.061	10	30		BEEERM
C[C@@H](C#N)Oc1cccc(C(=O)[O-])c1Cl	ZINC000306207159	359299012	/nfs/dbraw/zinc/29/90/12/359299012.db2.gz	QQLWKOKYYKISBR-LURJTMIESA-N	-1	0	225.631	2.329	10	30		BEEERM
Cc1c(C#N)ccc(Br)c1C(=O)[O-]	ZINC000306313599	359595434	/nfs/dbraw/zinc/59/54/34/359595434.db2.gz	UVSBCAXDDXTXPU-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
COC(=O)c1ccc([S-])c(C#N)c1Cl	ZINC000306608986	360582643	/nfs/dbraw/zinc/58/26/43/360582643.db2.gz	XPNRWUGXHJPDEG-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
Cc1c(C#N)ccc(CC(=O)[O-])c1Cl	ZINC000306611292	360793339	/nfs/dbraw/zinc/79/33/39/360793339.db2.gz	FZYJFEKBDRLGKQ-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
CC(=O)/C(=N/[O-])c1nc2ccccc2s1	ZINC000100299924	200692633	/nfs/dbraw/zinc/69/26/33/200692633.db2.gz	IJMBKLLMBXLBLX-XFXZXTDPSA-N	-1	0	220.253	2.064	10	30		BEEERM
Cc1cc(C#N)ccc1S[C@H](C)C(=O)[O-]	ZINC000037732558	364563512	/nfs/dbraw/zinc/56/35/12/364563512.db2.gz	CUZPMAWZDOWXLC-MRVPVSSYSA-N	-1	0	221.281	2.432	10	30		BEEERM
C=CC[C@H](C)NC(=O)c1c([O-])cc(F)cc1F	ZINC000116987674	370860382	/nfs/dbraw/zinc/86/03/82/370860382.db2.gz	MWPSZQUUCZKXCX-ZETCQYMHSA-N	-1	0	241.237	2.365	10	30		BEEERM
O=CC=C([O-])c1ccc(Br)o1	ZINC000131800316	371680194	/nfs/dbraw/zinc/68/01/94/371680194.db2.gz	KKULKECTCGPIFQ-ONEGZZNKSA-N	-1	0	217.018	2.297	10	30		BEEERM
O=C(/C(Cl)=N\[O-])c1ccccc1F	ZINC000100196405	181829510	/nfs/dbraw/zinc/82/95/10/181829510.db2.gz	QOTHHSODCSYTPO-DHZHZOJOSA-N	-1	0	201.584	2.035	10	30		BEEERM
CC#CCCNc1cccc(C(=O)[O-])c1	ZINC000227681035	371920147	/nfs/dbraw/zinc/92/01/47/371920147.db2.gz	LAKXAFPBBUXUMZ-UHFFFAOYSA-N	-1	0	203.241	2.210	10	30		BEEERM
CCc1c(C#N)ccc(Cl)c1C(=O)[O-]	ZINC000307167958	372089118	/nfs/dbraw/zinc/08/91/18/372089118.db2.gz	SXRJVISFAUVVET-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
C=C[C@@H](C)Nc1nc(C)ccc1C(=O)[O-]	ZINC000229278431	372136648	/nfs/dbraw/zinc/13/66/48/372136648.db2.gz	ZXGKACNDQMPDIA-SSDOTTSWSA-N	-1	0	206.245	2.075	10	30		BEEERM
C=CC[C@@H](C)NC(=O)c1cccc(OC)c1O	ZINC000116987566	384137610	/nfs/dbraw/zinc/13/76/10/384137610.db2.gz	MVQYHJYRCVZPTO-SECBINFHSA-N	-1	0	235.283	2.095	10	30		BEEERM
N#Cc1ccc(-c2nc(C(=O)[O-])cs2)cc1	ZINC000083357217	384500087	/nfs/dbraw/zinc/50/00/87/384500087.db2.gz	CRWHJXGOSWJZLM-UHFFFAOYSA-N	-1	0	230.248	2.380	10	30		BEEERM
CCc1cc(Cl)c(C(=O)[O-])c(C#N)c1	ZINC000307235673	386449747	/nfs/dbraw/zinc/44/97/47/386449747.db2.gz	NDBKATFFGLFWJP-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
COc1cc(C#N)c(C(F)F)c(CC(=O)[O-])c1	ZINC000575343607	386681038	/nfs/dbraw/zinc/68/10/38/386681038.db2.gz	PTQZIHOEYGRLLM-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1cc(C(=O)[O-])c(C(F)F)c([N+](=O)[O-])c1	ZINC000575343689	386691424	/nfs/dbraw/zinc/69/14/24/386691424.db2.gz	BFFMHVIZXDOFLI-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1cc(C(F)F)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000575343735	386691527	/nfs/dbraw/zinc/69/15/27/386691527.db2.gz	DYYKJMLJMIBBJP-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
COc1cc(C#N)c(CC(=O)[O-])c(C(F)F)c1	ZINC000575343550	386691738	/nfs/dbraw/zinc/69/17/38/386691738.db2.gz	HJYALNKDCAEKPX-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
COc1cc(CC(=O)[O-])c(C#N)cc1C(F)F	ZINC000575343569	386692248	/nfs/dbraw/zinc/69/22/48/386692248.db2.gz	KDOJYWMBVQKGCO-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
CCc1ccc(OC(F)F)c(C(=O)[O-])c1C#N	ZINC000575385550	386944822	/nfs/dbraw/zinc/94/48/22/386944822.db2.gz	ZRHKMBJQOADMPU-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
Cc1c(CC(=O)[O-])ccc(C#N)c1OC(F)F	ZINC000575387799	386956259	/nfs/dbraw/zinc/95/62/59/386956259.db2.gz	KQMJXIWDQDTWKA-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
CCOC(=O)c1ccc(C(F)F)c([O-])c1C#N	ZINC000575388103	386958658	/nfs/dbraw/zinc/95/86/58/386958658.db2.gz	WEUZWGJEJZDUNB-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
COC(=O)c1cc(C#N)c([O-])c(C(F)(F)F)c1	ZINC000575392234	386963976	/nfs/dbraw/zinc/96/39/76/386963976.db2.gz	OUPLUOZWHJLRTM-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
Cc1ccc(C(=O)[O-])c(OC(F)(F)F)c1C#N	ZINC000575394120	386992028	/nfs/dbraw/zinc/99/20/28/386992028.db2.gz	DEQVCZHDXYBDAH-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1c(OC(F)(F)F)cc(C#N)cc1C(=O)[O-]	ZINC000575395031	386995829	/nfs/dbraw/zinc/99/58/29/386995829.db2.gz	VEVGLRKNHMAWCF-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
CCOC(=O)c1cc(C#N)c([O-])cc1C(F)F	ZINC000575387464	386949758	/nfs/dbraw/zinc/94/97/58/386949758.db2.gz	HVEBYTWQSFAULU-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
Cc1cc(C#N)c(CC(=O)[O-])cc1OC(F)F	ZINC000575387131	386951141	/nfs/dbraw/zinc/95/11/41/386951141.db2.gz	AWMMQULOZZZDJE-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#CCc1cc(C=O)cc(Br)c1[O-]	ZINC000575602649	387372396	/nfs/dbraw/zinc/37/23/96/387372396.db2.gz	RUZJLZYGZKXHAW-UHFFFAOYSA-N	-1	0	240.056	2.033	10	30		BEEERM
N#Cc1cc([N+](=O)[O-])c([O-])cc1C(F)F	ZINC000575668839	387322280	/nfs/dbraw/zinc/32/22/80/387322280.db2.gz	OPSBBHBXTZWULM-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#Cc1cc([N+](=O)[O-])cc(C(F)F)c1[O-]	ZINC000575668023	387323796	/nfs/dbraw/zinc/32/37/96/387323796.db2.gz	IJEIJCQNNBPAJW-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
CCc1cc([S-])c(C#N)c(CC#N)c1	ZINC000575643899	387871263	/nfs/dbraw/zinc/87/12/63/387871263.db2.gz	DGIHGBAADPPWMO-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
CCc1cc(CC#N)c([S-])cc1C#N	ZINC000575648852	387884993	/nfs/dbraw/zinc/88/49/93/387884993.db2.gz	YVGWZMJDXZLHCW-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
CCOc1cc([S-])c(C#N)c(CC#N)c1	ZINC000575648801	387885079	/nfs/dbraw/zinc/88/50/79/387885079.db2.gz	UZYTULZZVZMABL-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
CCOc1cc([S-])c(CC#N)c(C#N)c1	ZINC000575648990	387886239	/nfs/dbraw/zinc/88/62/39/387886239.db2.gz	WWJMFIKJGWYJRI-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
N#Cc1cc(F)c(OC(F)(F)F)c(C(=O)[O-])c1	ZINC000575390487	388574954	/nfs/dbraw/zinc/57/49/54/388574954.db2.gz	PQQUWTPZEFBOAB-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
N#Cc1cc(C(F)(F)F)cc(C=O)c1C(=O)[O-]	ZINC000575390795	388575353	/nfs/dbraw/zinc/57/53/53/388575353.db2.gz	AYGVYKDQWACCBS-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
CCc1nc([C@@H](C)S)sc1C(=O)[O-]	ZINC000083349089	172001749	/nfs/dbraw/zinc/00/17/49/172001749.db2.gz	UVXUYSWYTSPLJG-SCSAIBSYSA-N	-1	0	217.315	2.395	10	30		BEEERM
COc1ccc(C(=O)[O-])cc1OCCCC#N	ZINC000019481419	175064828	/nfs/dbraw/zinc/06/48/28/175064828.db2.gz	NUQFOBATMKYMNW-UHFFFAOYSA-N	-1	0	235.239	2.076	10	30		BEEERM
COc1ccc(Cl)c2[n-]cc(C#N)c(=O)c12	ZINC000043318061	175119607	/nfs/dbraw/zinc/11/96/07/175119607.db2.gz	WKKFBHMDIHCPHR-UHFFFAOYSA-N	-1	0	234.642	2.474	10	30		BEEERM
COc1ccc(Cl)cc1C(=O)/C=C/C(=O)[O-]	ZINC000041283928	175119816	/nfs/dbraw/zinc/11/98/16/175119816.db2.gz	GFNQOFHNXMJBKD-HWKANZROSA-N	-1	0	240.642	2.172	10	30		BEEERM
C[C@@H](C#N)Oc1cc(Cl)ccc1C(=O)[O-]	ZINC000043513267	175598678	/nfs/dbraw/zinc/59/86/78/175598678.db2.gz	KEEACCNQNIGODW-LURJTMIESA-N	-1	0	225.631	2.329	10	30		BEEERM
C[C@@H](C#N)Sc1ccccc1C(=O)[O-]	ZINC000048775329	175598792	/nfs/dbraw/zinc/59/87/92/175598792.db2.gz	LUNKRDPBARCSEM-ZETCQYMHSA-N	-1	0	207.254	2.389	10	30		BEEERM
C[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000021965002	176003750	/nfs/dbraw/zinc/00/37/50/176003750.db2.gz	OTGVUZRXVOWPBY-ZCFIWIBFSA-N	-1	0	225.631	2.064	10	30		BEEERM
CC[C@@H](C)[C@H](C#N)c1nc(C(=O)[O-])cs1	ZINC000150336174	323944054	/nfs/dbraw/zinc/94/40/54/323944054.db2.gz	GKFXGKIBVFDKBP-RQJHMYQMSA-N	-1	0	224.285	2.495	10	30		BEEERM
CC(=O)/C(=C\c1ccccc1)CC(=O)[O-]	ZINC000003978770	560192797	/nfs/dbraw/zinc/19/27/97/560192797.db2.gz	BNQYXFAVUMPZFG-XFFZJAGNSA-N	-1	0	204.225	2.134	10	30	in-vitro	BEEERM
C#CCC(C)(C)Nc1nc(C(=O)[O-])cs1	ZINC000757176792	586433667	/nfs/dbraw/zinc/43/36/67/586433667.db2.gz	DXZLWUFAXKLASW-UHFFFAOYSA-N	-1	0	224.285	2.055	10	30		BEEERM
C#C[C@@H](C)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000125001086	590111237	/nfs/dbraw/zinc/11/12/37/590111237.db2.gz	PQYBWJFJRGAWSS-SSDOTTSWSA-N	-1	0	223.659	2.472	10	30		BEEERM
C#CCN(CC)c1cc(C)ccc1C(=O)[O-]	ZINC000130207767	591448804	/nfs/dbraw/zinc/44/88/04/591448804.db2.gz	WHHDSEGHUUXBKF-UHFFFAOYSA-N	-1	0	217.268	2.153	10	30		BEEERM
C#CC[C@H](C)Nc1ncc(C(=O)[O-])cc1Cl	ZINC000228976725	640908614	/nfs/dbraw/zinc/90/86/14/640908614.db2.gz	XKMWILQSBUCNJR-ZETCQYMHSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#C[C@H](CC)Nc1ccc(Cl)c(C(=O)[O-])n1	ZINC000229995982	641003326	/nfs/dbraw/zinc/00/33/26/641003326.db2.gz	AAKAONJROOIAHZ-SSDOTTSWSA-N	-1	0	238.674	2.257	10	30		BEEERM
Cc1ccc(CSCC(=O)[O-])cc1C#N	ZINC000701831870	954889953	/nfs/dbraw/zinc/88/99/53/954889953.db2.gz	BYYVKFULNAPAMA-UHFFFAOYSA-N	-1	0	221.281	2.185	10	30		BEEERM
O=C(/C=C\c1cocn1)c1ccccc1[O-]	ZINC000588579508	959338838	/nfs/dbraw/zinc/33/88/38/959338838.db2.gz	TYIDBJWBUBIDKC-WAYWQWQTSA-N	-1	0	215.208	2.276	10	30		BEEERM
COc1cc(C(=O)[O-])ccc1OCC1(C#N)CC1	ZINC000691565531	976367904	/nfs/dbraw/zinc/36/79/04/976367904.db2.gz	CTABJNYHTQYGNG-UHFFFAOYSA-N	-1	0	247.250	2.076	10	30		BEEERM
O=C([O-])C#CCc1ccc(Br)cc1	ZINC000070835989	361781366	/nfs/dbraw/zinc/78/13/66/361781366.db2.gz	CSWDETTZZJYFSF-UHFFFAOYSA-N	-1	0	239.068	2.080	10	30		BEEERM
N#CC(C#N)=C([O-])c1csc(Cl)c1	ZINC000306643042	361776166	/nfs/dbraw/zinc/77/61/66/361776166.db2.gz	VQGSNTHWNAKGSF-UHFFFAOYSA-N	-1	0	210.645	2.248	10	30		BEEERM
CCO[C@H](/C(N)=N/O)c1ccc(Cl)cc1	ZINC000005650833	342767939	/nfs/dbraw/zinc/76/79/39/342767939.db2.gz	UGPIQQHRWONTHJ-VIFPVBQESA-N	-1	0	228.679	2.164	10	30		BEEERM
CC(C)(C)C#Cc1cc(C(=O)[O-])ccn1	ZINC000585143938	398283459	/nfs/dbraw/zinc/28/34/59/398283459.db2.gz	UXEVDFSABVGLHR-UHFFFAOYSA-N	-1	0	203.241	2.177	10	30		BEEERM
Cc1ccc(C(=O)[O-])cc1SCC#N	ZINC000075441602	178443059	/nfs/dbraw/zinc/44/30/59/178443059.db2.gz	LDHFYOGJPHAFTF-UHFFFAOYSA-N	-1	0	207.254	2.309	10	30		BEEERM
CCC[C@@H](C#N)C(=O)[N-]OCc1ccccc1	ZINC000233267434	342852736	/nfs/dbraw/zinc/85/27/36/342852736.db2.gz	YPEYTCSHQZOPCZ-LBPRGKRZSA-N	-1	0	232.283	2.174	10	30		BEEERM
CC(C)c1ccc(C#N)c(SCC(=O)[O-])n1	ZINC000022863335	187206761	/nfs/dbraw/zinc/20/67/61/187206761.db2.gz	FNGBLXLZMKYCQT-UHFFFAOYSA-N	-1	0	236.296	2.253	10	30		BEEERM
CC(C)[C@@]1(c2ccccc2)OC(C(=O)[O-])=CC1=O	ZINC000039310685	187263104	/nfs/dbraw/zinc/26/31/04/187263104.db2.gz	WKLZXWOSVFGMTA-AWEZNQCLSA-N	-1	0	246.262	2.106	10	30		BEEERM
CC#CCNc1c(C)cccc1C(=O)[O-]	ZINC000221692429	346962457	/nfs/dbraw/zinc/96/24/57/346962457.db2.gz	FRFSYKHRPVIAJC-UHFFFAOYSA-N	-1	0	203.241	2.128	10	30		BEEERM
C#C[C@@H](C)Nc1c(C)cccc1C(=O)[O-]	ZINC000221699695	346963725	/nfs/dbraw/zinc/96/37/25/346963725.db2.gz	ULISBINLPIKXTF-SECBINFHSA-N	-1	0	203.241	2.127	10	30		BEEERM
O=C([O-])C#C[C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000127161148	343861597	/nfs/dbraw/zinc/86/15/97/343861597.db2.gz	RHMXYIWLWRUQKY-HTQZYQBOSA-N	-1	0	220.190	2.443	10	30		BEEERM
Cc1cc(O[C@@H](C)C#N)c(C(=O)[O-])s1	ZINC000069976602	343945486	/nfs/dbraw/zinc/94/54/86/343945486.db2.gz	SGOYVECNVVNSTL-YFKPBYRVSA-N	-1	0	211.242	2.046	10	30		BEEERM
C=C(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000164432603	187355450	/nfs/dbraw/zinc/35/54/50/187355450.db2.gz	XIWUKCHYUNMNFR-VIFPVBQESA-N	-1	0	243.303	2.321	10	30		BEEERM
N#Cc1ccccc1C(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000098090484	187290695	/nfs/dbraw/zinc/29/06/95/187290695.db2.gz	ZFLWCWLNGYIOGT-NWDGAFQWSA-N	-1	0	243.262	2.242	10	30		BEEERM
C#CCNc1ccc(C(=O)[O-])cc1Cl	ZINC000062795655	347049464	/nfs/dbraw/zinc/04/94/64/347049464.db2.gz	ZHZOFQZSQOTSQV-UHFFFAOYSA-N	-1	0	209.632	2.083	10	30		BEEERM
Cc1c(Cl)cc(CC(=O)[O-])cc1C#N	ZINC000306723036	344417346	/nfs/dbraw/zinc/41/73/46/344417346.db2.gz	QTRCBHDUEULYHS-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
Cc1cc(CC(=O)[O-])cc(C(F)F)c1C#N	ZINC000396150129	344623404	/nfs/dbraw/zinc/62/34/04/344623404.db2.gz	JQTNLGJGBROMGY-UHFFFAOYSA-N	-1	0	225.194	2.431	10	30		BEEERM
N#Cc1c(F)cc(C(=O)[O-])cc1C(F)(F)F	ZINC000396153558	344625697	/nfs/dbraw/zinc/62/56/97/344625697.db2.gz	CYCMTAGQACVHPD-UHFFFAOYSA-N	-1	0	233.120	2.414	10	30		BEEERM
CCc1c(C#N)ccc(CC(=O)[O-])c1CC	ZINC000396155493	344627272	/nfs/dbraw/zinc/62/72/72/344627272.db2.gz	QMVFESWLSZALNF-UHFFFAOYSA-N	-1	0	217.268	2.310	10	30		BEEERM
N#Cc1c(C(=O)[O-])ccc(F)c1C(F)F	ZINC000396169369	344630951	/nfs/dbraw/zinc/63/09/51/344630951.db2.gz	YVKRUHQQFFQWSA-UHFFFAOYSA-N	-1	0	215.130	2.333	10	30		BEEERM
COc1c(C(=O)[O-])ccc(C#N)c1C(F)F	ZINC000396158446	344631848	/nfs/dbraw/zinc/63/18/48/344631848.db2.gz	KTGKSTPOOMPSEH-UHFFFAOYSA-N	-1	0	227.166	2.203	10	30		BEEERM
COc1ccc(C(F)F)c(C(=O)[O-])c1C#N	ZINC000396163404	344635017	/nfs/dbraw/zinc/63/50/17/344635017.db2.gz	QFARINWWQNXQRG-UHFFFAOYSA-N	-1	0	227.166	2.203	10	30		BEEERM
CCc1cc(C)c(CC(=O)[O-])c(C#N)c1	ZINC000396163339	344635051	/nfs/dbraw/zinc/63/50/51/344635051.db2.gz	PXQUQJIDZDZTHN-UHFFFAOYSA-N	-1	0	203.241	2.056	10	30		BEEERM
CCc1ccc(C(=O)[O-])c(C#N)c1CC	ZINC000396164039	344635397	/nfs/dbraw/zinc/63/53/97/344635397.db2.gz	QPGLISOBAGRZER-UHFFFAOYSA-N	-1	0	203.241	2.381	10	30		BEEERM
COc1cc(C#N)c(C(=O)[O-])c(C(F)(F)F)c1	ZINC000514271608	344910734	/nfs/dbraw/zinc/91/07/34/344910734.db2.gz	TZNTURYQTVDLLN-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1C(F)F	ZINC000514272339	344911386	/nfs/dbraw/zinc/91/13/86/344911386.db2.gz	KCOCUXJJEKVFFI-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
C=CCNc1cc(C(=O)[O-])c(Cl)cn1	ZINC000166464872	344902174	/nfs/dbraw/zinc/90/21/74/344902174.db2.gz	FMMUIUAMJZOHDQ-UHFFFAOYSA-N	-1	0	212.636	2.031	10	30		BEEERM
C=CC[N-]C(=S)S[C@@H](C)OCC	ZINC000238283372	345011928	/nfs/dbraw/zinc/01/19/28/345011928.db2.gz	SDWQFOMIBDTVDZ-ZETCQYMHSA-N	-1	0	205.348	2.163	10	30		BEEERM
C=CC[C@H](OCc1ccccc1)C(=O)[O-]	ZINC000136664316	345817786	/nfs/dbraw/zinc/81/77/86/345817786.db2.gz	DBTVDQOYZOQHLN-NSHDSACASA-N	-1	0	206.241	2.233	10	30		BEEERM
N#CCCn1[n-]c(C(F)F)cc1=S	ZINC000061629238	345761473	/nfs/dbraw/zinc/76/14/73/345761473.db2.gz	GUPCWFJZWAXTLH-UHFFFAOYSA-N	-1	0	203.217	2.023	10	30		BEEERM
C=C(C)[C@@H]1Cc2cc(C(=O)[O-])ccc2O1	ZINC000015217353	290761914	/nfs/dbraw/zinc/76/19/14/290761914.db2.gz	PDOQMNZGRZWFOX-NSHDSACASA-N	-1	0	204.225	2.264	10	30	biogenic,in-vitro	BEEERM
C=C(CNc1cccc(F)c1F)C(=O)[O-]	ZINC000236424351	346239527	/nfs/dbraw/zinc/23/95/27/346239527.db2.gz	AFYMXFWZVCDGKH-UHFFFAOYSA-N	-1	0	213.183	2.018	10	30		BEEERM
Cc1ccc(-c2nc(C3CC3)[n-]c(=O)c2C#N)o1	ZINC000115402196	347354706	/nfs/dbraw/zinc/35/47/06/347354706.db2.gz	DPIQMGZJROKEET-UHFFFAOYSA-N	-1	0	241.250	2.500	10	30		BEEERM
CC(C)n1c([O-])cc(C(F)(F)F)c(C#N)c1=O	ZINC000616577418	349114102	/nfs/dbraw/zinc/11/41/02/349114102.db2.gz	WTPHSGOIQQTLGW-UHFFFAOYSA-N	-1	0	246.188	2.025	10	30		BEEERM
Cc1cc(Cl)c(C#N)cc1CC(=O)[O-]	ZINC000306673178	350817601	/nfs/dbraw/zinc/81/76/01/350817601.db2.gz	CHRGEHJQBVEABI-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
N#Cc1cccc([C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000616618602	350925147	/nfs/dbraw/zinc/92/51/47/350925147.db2.gz	BMFFOCKSKZJXQP-LBPRGKRZSA-N	-1	0	230.267	2.416	10	30		BEEERM
Cc1cccc(Br)c1C#CC(=O)[O-]	ZINC000306932042	351356552	/nfs/dbraw/zinc/35/65/52/351356552.db2.gz	CFOARTZCTPZYDY-UHFFFAOYSA-N	-1	0	239.068	2.194	10	30		BEEERM
Cc1c(Br)c(C#N)ccc1C(=O)[O-]	ZINC000307051961	351454192	/nfs/dbraw/zinc/45/41/92/351454192.db2.gz	TVFXQTGKIHOIGT-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
CCc1cc(C(=O)[O-])cc(Cl)c1C#N	ZINC000307109276	351480466	/nfs/dbraw/zinc/48/04/66/351480466.db2.gz	BIXSAMRDOQPRRS-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
Cc1ccc(COC2CC(C#N)(C(=O)[O-])C2)cc1	ZINC000606302486	351555639	/nfs/dbraw/zinc/55/56/39/351555639.db2.gz	NHIZNZMKLUVWLW-UHFFFAOYSA-N	-1	0	245.278	2.269	10	30		BEEERM
Cc1ccc(Br)c(C#N)c1C(=O)[O-]	ZINC000307332542	352048184	/nfs/dbraw/zinc/04/81/84/352048184.db2.gz	PVWCCQQGWNKYNL-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])c(F)c1Br	ZINC000307327258	352023085	/nfs/dbraw/zinc/02/30/85/352023085.db2.gz	IYAUKMJXSNHRQJ-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
N#Cc1ccc2cc(C(=O)[O-])sc2c1	ZINC000039169139	187600398	/nfs/dbraw/zinc/60/03/98/187600398.db2.gz	PTCGELMNYHRYFV-UHFFFAOYSA-N	-1	0	203.222	2.471	10	30		BEEERM
N#Cc1ccc(-n2cnc(C(=O)[O-])c2)c(Cl)c1	ZINC000104066833	187631719	/nfs/dbraw/zinc/63/17/19/187631719.db2.gz	POMIKJHJTSMKIC-UHFFFAOYSA-N	-1	0	247.641	2.096	10	30		BEEERM
C=CCSc1nc(C)nc(C)c1C(=O)[O-]	ZINC000021955016	187664736	/nfs/dbraw/zinc/66/47/36/187664736.db2.gz	CYDPDEIENMSHPX-UHFFFAOYSA-N	-1	0	224.285	2.070	10	30		BEEERM
CC(C)N(CCC#N)c1ccc(C(=O)[O-])cc1N	ZINC000042530303	187946866	/nfs/dbraw/zinc/94/68/66/187946866.db2.gz	BOHNGTMQDHFUAB-UHFFFAOYSA-N	-1	0	247.298	2.095	10	30		BEEERM
N#CCCCCn1nc(C(=O)[O-])c2ccccc21	ZINC000062810448	187958373	/nfs/dbraw/zinc/95/83/73/187958373.db2.gz	UHMWXCGXXVEDFS-UHFFFAOYSA-N	-1	0	243.266	2.428	10	30		BEEERM
C=CCC(=O)N(CCC(=O)[O-])c1ccc(C)cc1	ZINC000054399803	188049140	/nfs/dbraw/zinc/04/91/40/188049140.db2.gz	CNEOQWQAFTZKCP-UHFFFAOYSA-N	-1	0	247.294	2.379	10	30		BEEERM
CC(C)N(CCCC(=O)[O-])c1ncccc1C#N	ZINC000037592971	188287314	/nfs/dbraw/zinc/28/73/14/188287314.db2.gz	BZPXXSOJCUWZOK-UHFFFAOYSA-N	-1	0	247.298	2.033	10	30		BEEERM
C#C[C@@H](Nc1ccc(C(=O)[O-])o1)C(C)C	ZINC000300968430	363231497	/nfs/dbraw/zinc/23/14/97/363231497.db2.gz	RTVNNRLVKZJREK-MRVPVSSYSA-N	-1	0	207.229	2.048	10	30		BEEERM
N#CCCN([C@@H](C(=O)[O-])c1ccccc1)C1CC1	ZINC000042547075	181037324	/nfs/dbraw/zinc/03/73/24/181037324.db2.gz	IPXONMFRUJWXDU-CYBMUJFWSA-N	-1	0	244.294	2.190	10	30		BEEERM
N#C[C@@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000049830005	181054768	/nfs/dbraw/zinc/05/47/68/181054768.db2.gz	RXRYFTBKRLFHSP-MRVPVSSYSA-N	-1	0	240.056	2.141	10	30		BEEERM
N#C[C@H](C(=O)[O-])c1cccc(Br)c1	ZINC000049830004	181062457	/nfs/dbraw/zinc/06/24/57/181062457.db2.gz	RPELTFPCNDRAMB-QMMMGPOBSA-N	-1	0	240.056	2.141	10	30		BEEERM
N#CC1=C([O-])CC(=O)C[C@H]1c1ccccc1	ZINC000100905354	181067705	/nfs/dbraw/zinc/06/77/05/181067705.db2.gz	LFXTTZMNZZKSPO-NWDGAFQWSA-N	-1	0	213.236	2.325	10	30		BEEERM
N#Cc1c([O-])c(Br)ccc1F	ZINC000075926737	181074675	/nfs/dbraw/zinc/07/46/75/181074675.db2.gz	UVCQJQUVLRTRTE-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
N#Cc1cc(C(=O)[O-])ccc1C(F)(F)F	ZINC000083428720	181085125	/nfs/dbraw/zinc/08/51/25/181085125.db2.gz	BGQDDAISOZKNMR-UHFFFAOYSA-N	-1	0	215.130	2.275	10	30		BEEERM
N#Cc1ccc(N[C@@H]2CCC[C@H](C(=O)[O-])C2)nc1	ZINC000070556995	181125160	/nfs/dbraw/zinc/12/51/60/181125160.db2.gz	OIQCQNOYTCJRDD-WDEREUQCSA-N	-1	0	245.282	2.009	10	30		BEEERM
O=[N+]([O-])c1cc(Br)cc(/C=N/[O-])c1	ZINC000253577836	191303556	/nfs/dbraw/zinc/30/35/56/191303556.db2.gz	XODOQHQHLTUUFV-RUDMXATFSA-N	-1	0	245.032	2.165	10	30		BEEERM
N#Cc1cc([S@](=O)[O-])ccc1C(F)(F)F	ZINC000675061516	538487814	/nfs/dbraw/zinc/48/78/14/538487814.db2.gz	HXTWYFVHXCVTMZ-UHFFFAOYSA-N	-1	0	235.186	2.158	10	30		BEEERM
CC(C)C[C@H](CNc1cccnc1C#N)C(=O)[O-]	ZINC000129789573	356796957	/nfs/dbraw/zinc/79/69/57/356796957.db2.gz	QCPTZCSXCRJBGK-SNVBAGLBSA-N	-1	0	247.298	2.112	10	30		BEEERM
CCOc1ccccc1-c1ncc(C#N)c(=O)[n-]1	ZINC000039291409	358222218	/nfs/dbraw/zinc/22/22/18/358222218.db2.gz	ARRHAFFWXFQZSR-UHFFFAOYSA-N	-1	0	241.250	2.120	10	30		BEEERM
COC([O-])=C([N+]#N)C([O-])=CCc1ccccc1	ZINC000584606745	358266490	/nfs/dbraw/zinc/26/64/90/358266490.db2.gz	PSXYYNZCSODDQS-UHFFFAOYSA-O	-1	0	233.247	2.415	10	30		BEEERM
CC(/C=C/[C@](C)(O)C1(C#N)CCC1)=C/C(=O)[O-]	ZINC000584624082	358291725	/nfs/dbraw/zinc/29/17/25/358291725.db2.gz	RAJKQGKDJRRKRV-YXDTXXRQSA-N	-1	0	235.283	2.018	10	30		BEEERM
COc1ccc2c(c1)O[C@@H](C1CC1)C/C2=N\[O-]	ZINC000584636034	358320520	/nfs/dbraw/zinc/32/05/20/358320520.db2.gz	DQGHEUKQRQMAPY-SLQMCABGSA-N	-1	0	233.267	2.435	10	30		BEEERM
C#CC[C@H](C)Nc1cccc(C(=O)[O-])c1	ZINC000227680179	371920116	/nfs/dbraw/zinc/92/01/16/371920116.db2.gz	PCNVGJCRMPTPML-VIFPVBQESA-N	-1	0	203.241	2.209	10	30		BEEERM
CO/N=C/c1c(O)ccc(Cl)c1F	ZINC000306339207	372010254	/nfs/dbraw/zinc/01/02/54/372010254.db2.gz	YSLCPXLRXQIXIS-NYYWCZLTSA-N	-1	0	203.600	2.165	10	30		BEEERM
O=C([O-])C(=O)/C=C/c1ccccc1C(F)(F)F	ZINC000058003390	182416717	/nfs/dbraw/zinc/41/67/17/182416717.db2.gz	HNCWJJDEQYXEDD-AATRIKPKSA-N	-1	0	244.168	2.372	10	30		BEEERM
CCCOc1ccc(C(=O)[O-])c(OCC#N)c1	ZINC000035414283	169317358	/nfs/dbraw/zinc/31/73/58/169317358.db2.gz	ZRIHTRUEZNTWFE-UHFFFAOYSA-N	-1	0	235.239	2.076	10	30		BEEERM
C[C@@H](C#N)N(Cc1ccccc1)C(=O)[O-]	ZINC000091351820	384120577	/nfs/dbraw/zinc/12/05/77/384120577.db2.gz	YALDBVFQBATWNS-VIFPVBQESA-N	-1	0	204.229	2.079	10	30		BEEERM
CCc1cc(C#N)c(CC#N)cc1[S-]	ZINC000575645752	384159313	/nfs/dbraw/zinc/15/93/13/384159313.db2.gz	MRFFTRDCTQCJQJ-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
[O-]/N=C\c1ccc(F)cc1Br	ZINC000072265895	384204793	/nfs/dbraw/zinc/20/47/93/384204793.db2.gz	RTEIVRVDVVVSMK-WMZJFQQLSA-N	-1	0	218.025	2.396	10	30		BEEERM
N#Cc1c([O-])cc(OC(F)F)cc1F	ZINC000575659898	384405737	/nfs/dbraw/zinc/40/57/37/384405737.db2.gz	UVTIKFBWQQPHNL-UHFFFAOYSA-N	-1	0	203.119	2.004	10	30		BEEERM
[O-]/N=C\c1ccc(Br)cc1F	ZINC000100468150	384642584	/nfs/dbraw/zinc/64/25/84/384642584.db2.gz	DHBUKMPUUDCJTH-WMZJFQQLSA-N	-1	0	218.025	2.396	10	30		BEEERM
C=C(C)CC(CC(=C)C)(C(=O)[O-])C(=O)[O-]	ZINC000118687984	385243400	/nfs/dbraw/zinc/24/34/00/385243400.db2.gz	KRTMBVXQUHKDLP-UHFFFAOYSA-N	-1	0	212.245	2.074	10	30		BEEERM
N#Cc1cc([O-])c(F)c(Br)c1	ZINC000260019740	385648619	/nfs/dbraw/zinc/64/86/19/385648619.db2.gz	JAQLGDYDIPNWFT-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
COC(=O)c1cc(Cl)c(C#N)cc1[S-]	ZINC000306834488	385864840	/nfs/dbraw/zinc/86/48/40/385864840.db2.gz	RLXFHSOMDLCEEB-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
[O-]/N=C\c1ccc(OC(F)(F)F)cc1	ZINC000000124294	386333204	/nfs/dbraw/zinc/33/32/04/386333204.db2.gz	SFLMISFBFTUVTD-XGICHPGQSA-N	-1	0	205.135	2.393	10	30		BEEERM
CCc1cc([S-])cc(C#N)c1CC#N	ZINC000575643726	386582526	/nfs/dbraw/zinc/58/25/26/386582526.db2.gz	BRJATHYPJGAHGW-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
N#Cc1cc(F)cc(CC(=O)[O-])c1C(F)(F)F	ZINC000575344977	386711693	/nfs/dbraw/zinc/71/16/93/386711693.db2.gz	LKCUWJCGDSAGOL-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1cc([N+](=O)[O-])cc(C(F)F)c1C(=O)[O-]	ZINC000575344045	386691816	/nfs/dbraw/zinc/69/18/16/386691816.db2.gz	NGGKPOLCGAYHMC-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1cc(C(F)(F)F)cc(F)c1CC(=O)[O-]	ZINC000575344932	386711825	/nfs/dbraw/zinc/71/18/25/386711825.db2.gz	JYAWNYHFFTYKDC-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
CCc1c(C#N)cc(OC(F)F)cc1C(=O)[O-]	ZINC000575385182	386943793	/nfs/dbraw/zinc/94/37/93/386943793.db2.gz	ANFNCALYCJJZET-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])c(C(F)(F)F)c1C=O	ZINC000575391552	386958127	/nfs/dbraw/zinc/95/81/27/386958127.db2.gz	VHRXGGMOCPKUEW-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1ccc(C(F)(F)F)c(F)c1CC(=O)[O-]	ZINC000575390540	386960047	/nfs/dbraw/zinc/96/00/47/386960047.db2.gz	VRYHDHAVYZNZSQ-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1ccc(C=O)c(C(=O)[O-])c1C(F)(F)F	ZINC000575390825	386960240	/nfs/dbraw/zinc/96/02/40/386960240.db2.gz	CYFWBSQDKKEWAF-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
COC(=O)c1cc([O-])cc(C(F)(F)F)c1C#N	ZINC000575392359	386963093	/nfs/dbraw/zinc/96/30/93/386963093.db2.gz	VQEPMAFICKHOAK-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
Cc1cc(C#N)c(OC(F)(F)F)c(C(=O)[O-])c1	ZINC000575394150	386992002	/nfs/dbraw/zinc/99/20/02/386992002.db2.gz	FSKIPJBYQHXOBQ-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1cc(OC(F)(F)F)c(C(=O)[O-])cc1C#N	ZINC000575394170	386993029	/nfs/dbraw/zinc/99/30/29/386993029.db2.gz	GIKFVXKDRCVHQH-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1c(OC(F)F)ccc(C#N)c1CC(=O)[O-]	ZINC000575388281	386951089	/nfs/dbraw/zinc/95/10/89/386951089.db2.gz	RJBHDSXPMLWAKL-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
Cc1cc(CC(=O)[O-])cc(C#N)c1OC(F)F	ZINC000575388213	386951656	/nfs/dbraw/zinc/95/16/56/386951656.db2.gz	OKUSRTBCWWSQTQ-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1cc(C(=O)[O-])cc(F)c1OC(F)(F)F	ZINC000575390395	386951897	/nfs/dbraw/zinc/95/18/97/386951897.db2.gz	IOUMPNQMXLAZBO-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
N#Cc1cc(OC(F)F)cc([O-])c1F	ZINC000575659427	387036458	/nfs/dbraw/zinc/03/64/58/387036458.db2.gz	NZHMFBRWSFKIPD-UHFFFAOYSA-N	-1	0	203.119	2.004	10	30		BEEERM
O=C([O-])CCCC1=CC(=O)c2ccccc2C1=O	ZINC000584626115	387503787	/nfs/dbraw/zinc/50/37/87/387503787.db2.gz	PMDFXDPGPKOAQU-UHFFFAOYSA-N	-1	0	244.246	2.247	10	30		BEEERM
CCc1cc([S-])c(CC#N)c(C#N)c1	ZINC000575644080	387870792	/nfs/dbraw/zinc/87/07/92/387870792.db2.gz	FUMISOFAUUIYMF-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
CCOc1cc(CC#N)c(C#N)cc1[S-]	ZINC000575649487	387888645	/nfs/dbraw/zinc/88/86/45/387888645.db2.gz	ZDDKQSUAYPQXEI-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
N#Cc1ccc(OC(F)(F)F)c(CC(=O)[O-])c1	ZINC000575344894	388843457	/nfs/dbraw/zinc/84/34/57/388843457.db2.gz	GUWUDWPJVXRPMN-UHFFFAOYSA-N	-1	0	245.156	2.084	10	30		BEEERM
N#Cc1ccccc1N1CCC[C@H](CC(=O)[O-])C1	ZINC000054297937	132364112	/nfs/dbraw/zinc/36/41/12/132364112.db2.gz	XBZDCUQQXALCAV-LLVKDONJSA-N	-1	0	244.294	2.249	10	30		BEEERM
N#CC1(C(=O)[O-])CC(OCc2ccccc2F)C1	ZINC000606302742	398002100	/nfs/dbraw/zinc/00/21/00/398002100.db2.gz	UCUHBACTJBISJR-UHFFFAOYSA-N	-1	0	249.241	2.099	10	30		BEEERM
C=CCN(CC=C)[C@H](C(=O)[O-])c1ccccc1	ZINC000011800206	166337467	/nfs/dbraw/zinc/33/74/67/166337467.db2.gz	YQOBHKSAXVWWNZ-ZDUSSCGKSA-N	-1	0	231.295	2.486	10	30		BEEERM
C=CCOc1ccc(CCC(=O)[O-])cc1	ZINC000039953800	166423299	/nfs/dbraw/zinc/42/32/99/166423299.db2.gz	QBJZQVXPGHFVAG-UHFFFAOYSA-N	-1	0	206.241	2.269	10	30		BEEERM
COc1ccc(C(=O)/C=C\C(=O)[O-])cc1Cl	ZINC000103887841	175053113	/nfs/dbraw/zinc/05/31/13/175053113.db2.gz	FYHUQOGPPIUHKG-HYXAFXHYSA-N	-1	0	240.642	2.172	10	30		BEEERM
C[C@H](SCc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000019518805	177027794	/nfs/dbraw/zinc/02/77/94/177027794.db2.gz	IPNGDUQSPGKYMY-ZETCQYMHSA-N	-1	0	239.271	2.404	10	30		BEEERM
CNN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000254385228	522170163	/nfs/dbraw/zinc/17/01/63/522170163.db2.gz	IDFVXBKPCLYQIK-UHFFFAOYSA-N	-1	0	219.071	2.252	10	30		BEEERM
C=C(CSCc1occc1C)C(=O)[O-]	ZINC000757166505	582547389	/nfs/dbraw/zinc/54/73/89/582547389.db2.gz	QMLYDCUCCSBOAF-UHFFFAOYSA-N	-1	0	212.270	2.462	10	30		BEEERM
CC(C)Sc1cc(C#CC(=O)[O-])ccc1C=O	ZINC000757569316	586462619	/nfs/dbraw/zinc/46/26/19/586462619.db2.gz	SPEPSAQEKHQPMD-UHFFFAOYSA-N	-1	0	248.303	2.436	10	30		BEEERM
C#CCN(CC)c1ccc(C)cc1C(=O)[O-]	ZINC000130208239	591448310	/nfs/dbraw/zinc/44/83/10/591448310.db2.gz	NPLUQLPHEYBCLA-UHFFFAOYSA-N	-1	0	217.268	2.153	10	30		BEEERM
C#CC[C@H](C)Nc1ccc(Cl)c(C(=O)[O-])n1	ZINC000228976223	640908424	/nfs/dbraw/zinc/90/84/24/640908424.db2.gz	PRCCFCXQYBKAQD-ZETCQYMHSA-N	-1	0	238.674	2.257	10	30		BEEERM
O=C(/C=C\c1cocn1)c1ccc(F)cc1[O-]	ZINC000588579499	959340595	/nfs/dbraw/zinc/34/05/95/959340595.db2.gz	SXJYTNRUQIUDOY-RQOWECAXSA-N	-1	0	233.198	2.415	10	30		BEEERM
C[C@H](CCC#N)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000695689323	976802160	/nfs/dbraw/zinc/80/21/60/976802160.db2.gz	IVJVZIPKAIOTOS-SNVBAGLBSA-N	-1	0	244.294	2.393	10	30		BEEERM
C[C@H](CCC#N)SC[C@@H](C)C(=O)[O-]	ZINC000695809084	976804750	/nfs/dbraw/zinc/80/47/50/976804750.db2.gz	KHFZFGKMHZDQCC-HTQZYQBOSA-N	-1	0	201.291	2.133	10	30		BEEERM
CC(C)(CSc1cccc(C#N)n1)C(=O)[O-]	ZINC000700271353	976941149	/nfs/dbraw/zinc/94/11/49/976941149.db2.gz	AOLGSGWPGJQJNI-UHFFFAOYSA-N	-1	0	236.296	2.156	10	30		BEEERM
C=CC1CCN(c2cc(C(=O)[O-])ccn2)CC1	ZINC000706460301	977329259	/nfs/dbraw/zinc/32/92/59/977329259.db2.gz	OLUBMHDPGSFOLW-UHFFFAOYSA-N	-1	0	232.283	2.182	10	30		BEEERM
N#Cc1cccc([C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000616611830	349473013	/nfs/dbraw/zinc/47/30/13/349473013.db2.gz	SLMHMJNXUNRFAJ-LLVKDONJSA-N	-1	0	216.240	2.026	10	30		BEEERM
CC(C)COc1ccc(C#CC(=O)[O-])cc1	ZINC000073739609	187329666	/nfs/dbraw/zinc/32/96/66/187329666.db2.gz	NOJXXVURRSABMJ-UHFFFAOYSA-N	-1	0	218.252	2.158	10	30		BEEERM
CCO[C@@H](/C(N)=N/O)c1ccccc1Cl	ZINC000005650866	342767879	/nfs/dbraw/zinc/76/78/79/342767879.db2.gz	PTAMVVGINUXBPU-SECBINFHSA-N	-1	0	228.679	2.164	10	30		BEEERM
O=C1c2cc(Cl)ccc2C(=O)C(O)=C1[O-]	ZINC000006093731	342773556	/nfs/dbraw/zinc/77/35/56/342773556.db2.gz	QLHIGRZXEPMGMR-UHFFFAOYSA-N	-1	0	224.599	2.047	10	30		BEEERM
C#C[C@@H](CC)n1c(C)cc(C(=O)[O-])c1C	ZINC000229861028	342775019	/nfs/dbraw/zinc/77/50/19/342775019.db2.gz	JLJWPATULNFJDI-JTQLQIEISA-N	-1	0	205.257	2.387	10	30		BEEERM
C#CCCNc1ccc(Cl)cc1C(=O)[O-]	ZINC000070534828	398330393	/nfs/dbraw/zinc/33/03/93/398330393.db2.gz	AJJYEGFGOWVQTO-UHFFFAOYSA-N	-1	0	223.659	2.473	10	30		BEEERM
C[C@@H](C#N)Oc1cccc(Cl)c1C(=O)[O-]	ZINC000128055075	398333690	/nfs/dbraw/zinc/33/36/90/398333690.db2.gz	GWRVIGNTTNVCNO-LURJTMIESA-N	-1	0	225.631	2.329	10	30		BEEERM
C/C(=N\O)c1ccc(OC[C@@H]2CCCO2)cc1	ZINC000019425128	187252206	/nfs/dbraw/zinc/25/22/06/187252206.db2.gz	BVEIHCMTKQNPOB-LFGHMXSPSA-N	-1	0	235.283	2.443	10	30		BEEERM
C/C(=N\O)c1cccc(NC(=O)C(C)C)c1	ZINC000019422007	187252219	/nfs/dbraw/zinc/25/22/19/187252219.db2.gz	JDHGMXJOPNWHPW-NTEUORMPSA-N	-1	0	220.272	2.479	10	30		BEEERM
C=C(C)C[S@](=O)C=C([O-])c1ccccc1	ZINC000526883997	343260588	/nfs/dbraw/zinc/26/05/88/343260588.db2.gz	GGRGWUCEJNJQOE-HNNXBMFYSA-N	-1	0	222.309	2.194	10	30		BEEERM
Cc1cc(C#N)c(C(=O)[O-])c(OC(F)(F)F)c1	ZINC000514271874	343648326	/nfs/dbraw/zinc/64/83/26/343648326.db2.gz	XQAYYBIVNRNXAZ-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
N#Cc1ccc(Cl)c2[nH]c(C(=O)[O-])cc21	ZINC000536960451	343652242	/nfs/dbraw/zinc/65/22/42/343652242.db2.gz	VPDBAMJRSZGDGD-UHFFFAOYSA-N	-1	0	220.615	2.391	10	30		BEEERM
N#Cc1cccc(-c2ccc(O)cn2)c1F	ZINC000065355774	187273712	/nfs/dbraw/zinc/27/37/12/187273712.db2.gz	YDCNVIYCWYRDSD-UHFFFAOYSA-N	-1	0	214.199	2.465	10	30		BEEERM
O=C([O-])c1cccc(C#CC(F)(F)F)c1	ZINC000238674297	537821829	/nfs/dbraw/zinc/82/18/29/537821829.db2.gz	FAUUXQDPSVRHAA-UHFFFAOYSA-N	-1	0	214.142	2.299	10	30		BEEERM
O=C1OC(c2ccc(Cl)cc2)=C([O-])C1O	ZINC000100359127	187290378	/nfs/dbraw/zinc/29/03/78/187290378.db2.gz	SADYYVYRJRKFTD-VIFPVBQESA-N	-1	0	226.615	2.266	10	30		BEEERM
N#Cc1ccccc1[C@@H]1CCCN(C(=O)[O-])C1	ZINC000616618304	344565269	/nfs/dbraw/zinc/56/52/69/344565269.db2.gz	NXRLIZVDKAVDQE-LLVKDONJSA-N	-1	0	230.267	2.416	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])c(OC(F)(F)F)c1	ZINC000396081928	344597935	/nfs/dbraw/zinc/59/79/35/344597935.db2.gz	DLGJAGKIYCTWTO-UHFFFAOYSA-N	-1	0	231.129	2.155	10	30		BEEERM
CCc1cc(C(=O)[O-])cc(CC)c1C#N	ZINC000396150158	344623392	/nfs/dbraw/zinc/62/33/92/344623392.db2.gz	JTBIWNWXNIJCSN-UHFFFAOYSA-N	-1	0	203.241	2.381	10	30		BEEERM
N#Cc1cc(C(F)F)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000514272258	344910559	/nfs/dbraw/zinc/91/05/59/344910559.db2.gz	NTOKCEVBSKUFJQ-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
COc1cc(C(F)(F)F)cc(C(=O)[O-])c1C#N	ZINC000514271908	344910728	/nfs/dbraw/zinc/91/07/28/344910728.db2.gz	JZWLYKHZNWVLAX-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])c(C(F)F)c1[N+](=O)[O-]	ZINC000514272342	344911187	/nfs/dbraw/zinc/91/11/87/344911187.db2.gz	KIUBBBCSAIQTIH-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
Cc1cc(CC(=O)[O-])c(OC(F)F)cc1C#N	ZINC000514274957	344911439	/nfs/dbraw/zinc/91/14/39/344911439.db2.gz	GQBLHDSKHUOXCP-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1cc(OC(F)(F)F)ccc1CC(=O)[O-]	ZINC000514276330	344912026	/nfs/dbraw/zinc/91/20/26/344912026.db2.gz	BAUQBUSOTJBFTQ-UHFFFAOYSA-N	-1	0	245.156	2.084	10	30		BEEERM
C[C@H](Sc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000235537461	344933995	/nfs/dbraw/zinc/93/39/95/344933995.db2.gz	YNGCHYLOQWNHDF-YFKPBYRVSA-N	-1	0	242.687	2.172	10	30		BEEERM
N#Cc1c(F)ccc(Br)c1C(=O)[O-]	ZINC000307230036	345242925	/nfs/dbraw/zinc/24/29/25/345242925.db2.gz	AYWDYCSSOOHWHZ-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
Cc1cc(Br)c(C(=O)[O-])c(C#N)c1	ZINC000307395698	345560500	/nfs/dbraw/zinc/56/05/00/345560500.db2.gz	ICTSDAXHKPWDMS-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
C=C(C)[C@H]1Cc2cc(C(=O)[O-])ccc2O1	ZINC000015217354	290762293	/nfs/dbraw/zinc/76/22/93/290762293.db2.gz	PDOQMNZGRZWFOX-LLVKDONJSA-N	-1	0	204.225	2.264	10	30	biogenic,in-vitro	BEEERM
COC(=O)c1c([S-])cc(Cl)cc1C#N	ZINC000307652281	345875698	/nfs/dbraw/zinc/87/56/98/345875698.db2.gz	NNZGXCKDJZAHDY-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
COc1ccc(C(=O)C2=C([O-])CCCC2=O)cc1	ZINC000147720958	346029590	/nfs/dbraw/zinc/02/95/90/346029590.db2.gz	CKIOLBMAOHESSS-UHFFFAOYSA-N	-1	0	246.262	2.443	10	30		BEEERM
O=C([O-])C#Cc1cc(Cl)sc1Cl	ZINC000236421226	346239247	/nfs/dbraw/zinc/23/92/47/346239247.db2.gz	DQSNNJBVMPULEJ-UHFFFAOYSA-N	-1	0	221.064	2.491	10	30		BEEERM
O=C([O-])C#Cc1cccc(Br)c1F	ZINC000236421358	346239670	/nfs/dbraw/zinc/23/96/70/346239670.db2.gz	UWUXAFJMVSJOCT-UHFFFAOYSA-N	-1	0	243.031	2.024	10	30		BEEERM
N#CC(C#N)=C([O-])c1cccc(F)c1Cl	ZINC000165257026	346646153	/nfs/dbraw/zinc/64/61/53/346646153.db2.gz	DJCZSGPFKVIHCO-UHFFFAOYSA-N	-1	0	222.606	2.325	10	30		BEEERM
N#Cc1ccc([C@H]2CCCN2C(=O)[O-])cc1	ZINC000616608010	350802900	/nfs/dbraw/zinc/80/29/00/350802900.db2.gz	RSRJDTBAYQVDBY-LLVKDONJSA-N	-1	0	216.240	2.373	10	30		BEEERM
Cc1cc(C#N)cc(Br)c1C(=O)[O-]	ZINC000307041754	351443755	/nfs/dbraw/zinc/44/37/55/351443755.db2.gz	QGGVMQDYALWRDW-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
CCc1cc(C(=O)[O-])cc(C#N)c1Cl	ZINC000307072267	351467017	/nfs/dbraw/zinc/46/70/17/351467017.db2.gz	HVNFIIFEZNTYSP-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
CCc1cc(C(=O)[O-])c(Cl)cc1C#N	ZINC000307156645	351507544	/nfs/dbraw/zinc/50/75/44/351507544.db2.gz	OEZOQSKYFJHUKT-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
N#Cc1c(F)ccc(C(=O)[O-])c1Br	ZINC000307337108	352056248	/nfs/dbraw/zinc/05/62/48/352056248.db2.gz	OTSIUJVOLCSNDP-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
N#Cc1cc(Br)cc([O-])c1F	ZINC000307412872	352589237	/nfs/dbraw/zinc/58/92/37/352589237.db2.gz	TYOKSHFZFHZTHU-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
Cc1cc(Cl)c(C#N)c(CC(=O)[O-])c1	ZINC000307404810	352580605	/nfs/dbraw/zinc/58/06/05/352580605.db2.gz	LNBWHFLHRZCSPV-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
N#Cc1cc(CC(=O)[O-])cc(Cl)c1Cl	ZINC000307620834	352695181	/nfs/dbraw/zinc/69/51/81/352695181.db2.gz	IOPXQTYMNLTHGX-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
CC(C)Cc1ccc(/C(=N/O)C(=O)[O-])s1	ZINC000000535620	187925355	/nfs/dbraw/zinc/92/53/55/187925355.db2.gz	LTIQCYGRJHYLTM-LUAWRHEFSA-N	-1	0	227.285	2.210	10	30		BEEERM
N#CCCN(c1ccc(C(=O)[O-])cc1F)C1CC1	ZINC000042546662	188294144	/nfs/dbraw/zinc/29/41/44/188294144.db2.gz	OPNPTQGFCBEEOS-UHFFFAOYSA-N	-1	0	248.257	2.406	10	30		BEEERM
O=C([O-])C#C[C@H]1CCCC[C@@H]1C(F)(F)F	ZINC000129531089	353324855	/nfs/dbraw/zinc/32/48/55/353324855.db2.gz	QHOPSMPJUWCIHI-SFYZADRCSA-N	-1	0	220.190	2.443	10	30		BEEERM
C=C[C@@H](C)Sc1ccc(C(=O)[O-])cn1	ZINC000052140762	188332679	/nfs/dbraw/zinc/33/26/79/188332679.db2.gz	AHOIZRSWJKDTQE-SSDOTTSWSA-N	-1	0	209.270	2.446	10	30		BEEERM
N#Cc1cc(Br)c(F)c(C(=O)[O-])c1	ZINC000075927116	181081366	/nfs/dbraw/zinc/08/13/66/181081366.db2.gz	QVDPUYFEYNMYCH-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
N#Cc1ccc(-c2ccc(F)c(F)c2)[n-]c1=O	ZINC000043395183	181095422	/nfs/dbraw/zinc/09/54/22/181095422.db2.gz	WQDVBQYFZSJCNJ-UHFFFAOYSA-N	-1	0	232.189	2.192	10	30		BEEERM
N#Cc1cc(N[C@H]2CCC[C@@H](C(=O)[O-])C2)ccn1	ZINC000070556334	181091510	/nfs/dbraw/zinc/09/15/10/181091510.db2.gz	ARPULNJKVORWCQ-ZJUUUORDSA-N	-1	0	245.282	2.009	10	30		BEEERM
N#Cc1ccc(CCC(=O)[O-])c(Cl)c1	ZINC000039377768	181102272	/nfs/dbraw/zinc/10/22/72/181102272.db2.gz	QKYDDPMEQDXUSV-UHFFFAOYSA-N	-1	0	209.632	2.229	10	30		BEEERM
N#Cc1ccc(F)c(-c2ncccc2C(=O)[O-])c1	ZINC000065347688	181113147	/nfs/dbraw/zinc/11/31/47/181113147.db2.gz	ABMHRUCAKSDFCF-UHFFFAOYSA-N	-1	0	242.209	2.458	10	30		BEEERM
CCCCC[C@@H]1C(=O)C=C[C@@H]1CC(=O)[O-]	ZINC000040380673	168740629	/nfs/dbraw/zinc/74/06/29/168740629.db2.gz	MIIKBIRJDZKJEO-ZJUUUORDSA-N	-1	0	210.273	2.413	10	30		BEEERM
O=C([O-])C#C[C@@H]1CCCc2sccc21	ZINC000168498338	355858298	/nfs/dbraw/zinc/85/82/98/355858298.db2.gz	GHOUNSUGYDVPAF-QMMMGPOBSA-N	-1	0	206.266	2.256	10	30		BEEERM
CC(C)(C#N)c1ccc([S@](=O)[O-])cc1	ZINC000675062746	538489143	/nfs/dbraw/zinc/48/91/43/538489143.db2.gz	NTAGUZNVVWDQFE-UHFFFAOYSA-N	-1	0	209.270	2.068	10	30		BEEERM
CCCC(/C=C/[C@@](C)(O)C1(C#N)CC1)=C/C(=O)[O-]	ZINC000584624123	358292025	/nfs/dbraw/zinc/29/20/25/358292025.db2.gz	YNBWAJKMDGYTOB-KVSALNLRSA-N	-1	0	249.310	2.408	10	30		BEEERM
CC1=CC(=O)C(=C([O-])c2ccccc2)C1=O	ZINC000100487048	358420883	/nfs/dbraw/zinc/42/08/83/358420883.db2.gz	WJVJLHODFNMPPO-QBFSEMIESA-N	-1	0	214.220	2.054	10	30		BEEERM
N#Cc1cc(F)c([O-])cc1Br	ZINC000306211180	359305328	/nfs/dbraw/zinc/30/53/28/359305328.db2.gz	QPCPQGREYUHVNH-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
N#Cc1c(C(F)F)ccc(F)c1C(=O)[O-]	ZINC000396156279	359808734	/nfs/dbraw/zinc/80/87/34/359808734.db2.gz	IKDAUFPXWBGZPK-UHFFFAOYSA-N	-1	0	215.130	2.333	10	30		BEEERM
N#CCc1c(O)cc(F)cc1Br	ZINC000306480620	360120717	/nfs/dbraw/zinc/12/07/17/360120717.db2.gz	JEQMWZPJUROMSL-UHFFFAOYSA-N	-1	0	230.036	2.360	10	30		BEEERM
N#Cc1c(F)cc([O-])cc1Br	ZINC000306620564	361204535	/nfs/dbraw/zinc/20/45/35/361204535.db2.gz	XJAVJCYSDRIVDE-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
N#CC1(C(=O)[O-])CC(c2ccccc2)C1	ZINC000083181727	541450788	/nfs/dbraw/zinc/45/07/88/541450788.db2.gz	JCYJYOZFLJTXRM-UHFFFAOYSA-N	-1	0	201.225	2.159	10	30		BEEERM
CCOC(=O)C(=CO)c1ccc(SC)cc1	ZINC000144099521	368412791	/nfs/dbraw/zinc/41/27/91/368412791.db2.gz	JYZAPKXPFIWNLQ-LLVKDONJSA-N	-1	0	238.308	2.254	10	30		BEEERM
C#CCNc1cccc(Cl)c1C(=O)[O-]	ZINC000054528408	369077122	/nfs/dbraw/zinc/07/71/22/369077122.db2.gz	KGRAYFBSOQTWOH-UHFFFAOYSA-N	-1	0	209.632	2.083	10	30		BEEERM
O=C([O-])C#Cc1cc2cccc(F)c2o1	ZINC000131901145	371708207	/nfs/dbraw/zinc/70/82/07/371708207.db2.gz	PMTRPKDJXDAYSB-UHFFFAOYSA-N	-1	0	204.156	2.008	10	30		BEEERM
Cc1cc(Br)cc(C#CC(=O)[O-])c1	ZINC000163605862	372018929	/nfs/dbraw/zinc/01/89/29/372018929.db2.gz	OOSDJCKHAWNONB-UHFFFAOYSA-N	-1	0	239.068	2.194	10	30		BEEERM
O=C([O-])C#Cc1cc(Cl)ccc1Cl	ZINC000082501898	182416687	/nfs/dbraw/zinc/41/66/87/182416687.db2.gz	CLMBHKLJUVAMQZ-UHFFFAOYSA-N	-1	0	215.035	2.430	10	30		BEEERM
CCC=CN=Nc1ccc(C(=O)[O-])cc1	ZINC000039085351	384100955	/nfs/dbraw/zinc/10/09/55/384100955.db2.gz	SGNWPULKGCNTGV-IOJGMCHMSA-N	-1	0	204.229	2.359	10	30		BEEERM
[O-]/N=C/c1c(F)ccc(C2OCCO2)c1Cl	ZINC000097054071	384491465	/nfs/dbraw/zinc/49/14/65/384491465.db2.gz	HBSWAZVQXCRCJA-WLRTZDKTSA-N	-1	0	245.637	2.333	10	30		BEEERM
Cc1ccc(C#N)c([O-])c1Br	ZINC000258049211	385526074	/nfs/dbraw/zinc/52/60/74/385526074.db2.gz	MASJQLJEFYKXFB-UHFFFAOYSA-N	-1	0	212.046	2.335	10	30		BEEERM
C[C@@H](Nc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000052856147	386139059	/nfs/dbraw/zinc/13/90/59/386139059.db2.gz	ZZWSADTWLVGBSJ-ZCFIWIBFSA-N	-1	0	224.647	2.097	10	30		BEEERM
CCOc1cc([S-])c(CC#N)cc1C#N	ZINC000575644546	386585254	/nfs/dbraw/zinc/58/52/54/386585254.db2.gz	CHYLXARVTGDTAB-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
N#Cc1c(C(=O)[O-])cc(C(F)F)cc1[N+](=O)[O-]	ZINC000575344197	386691276	/nfs/dbraw/zinc/69/12/76/386691276.db2.gz	USYPGSCKNRYADW-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1cccc(CC(=O)[O-])c1OC(F)(F)F	ZINC000575344895	386712413	/nfs/dbraw/zinc/71/24/13/386712413.db2.gz	GXMKXFJWLBEANW-UHFFFAOYSA-N	-1	0	245.156	2.084	10	30		BEEERM
Cc1cc(C#N)c(CC(=O)[O-])c(OC(F)F)c1	ZINC000575387820	386956557	/nfs/dbraw/zinc/95/65/57/386956557.db2.gz	LFKAMRJZFVGFDC-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1ccc(C(F)(F)F)c(C(=O)[O-])c1C=O	ZINC000575391220	386958725	/nfs/dbraw/zinc/95/87/25/386958725.db2.gz	PISWFNMYDQOTSC-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1cc(C(=O)[O-])c(C=O)cc1C(F)(F)F	ZINC000575391268	386959130	/nfs/dbraw/zinc/95/91/30/386959130.db2.gz	RSHTUPFMXYYFCT-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1ccc(C(F)(F)F)c(C=O)c1C(=O)[O-]	ZINC000575390813	386959695	/nfs/dbraw/zinc/95/96/95/386959695.db2.gz	CIKVHHPNQOWWQP-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1cc(F)cc(OC(F)(F)F)c1C(=O)[O-]	ZINC000575390571	386960663	/nfs/dbraw/zinc/96/06/63/386960663.db2.gz	ZLPLRDGHTXRLCD-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
N#Cc1cc(OC(F)(F)F)cc(C(=O)[O-])c1F	ZINC000575390570	386960742	/nfs/dbraw/zinc/96/07/42/386960742.db2.gz	ZBPDRUPQCPGZMD-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
CCOC(=O)c1cc(C(F)F)c([O-])cc1C#N	ZINC000575387459	386949029	/nfs/dbraw/zinc/94/90/29/386949029.db2.gz	HBDNEGSVCAGVKB-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
N#Cc1cc([O-])c([N+](=O)[O-])c(C(F)F)c1	ZINC000575667900	387323512	/nfs/dbraw/zinc/32/35/12/387323512.db2.gz	HIKJRQIILLROEC-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#Cc1c([O-])cc([N+](=O)[O-])cc1C(F)F	ZINC000575668777	387327869	/nfs/dbraw/zinc/32/78/69/387327869.db2.gz	NWGFVMAELRWZEI-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#CC=C([O-])c1occc1Br	ZINC000575509251	387392282	/nfs/dbraw/zinc/39/22/82/387392282.db2.gz	VYPBSUMSDTUYPP-UHFFFAOYSA-N	-1	0	214.018	2.138	10	30		BEEERM
C[C@H](CCC=O)c1ccccc1C(=O)[O-]	ZINC000584623523	387502743	/nfs/dbraw/zinc/50/27/43/387502743.db2.gz	YAJBBNJIALDJHL-SECBINFHSA-N	-1	0	206.241	2.467	10	30		BEEERM
O=C([O-])C(=O)/C=C/c1ccccc1Cl	ZINC000038873623	387485292	/nfs/dbraw/zinc/48/52/92/387485292.db2.gz	RLZKFRJXOBYPLZ-AATRIKPKSA-N	-1	0	210.616	2.007	10	30		BEEERM
CCOc1cc(C#N)cc(CC#N)c1[S-]	ZINC000575644170	387869036	/nfs/dbraw/zinc/86/90/36/387869036.db2.gz	ATJROTXRXHYTGM-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
CCc1cc(CC#N)cc(C#N)c1[S-]	ZINC000575646262	387879524	/nfs/dbraw/zinc/87/95/24/387879524.db2.gz	OAZYBZGMGYKBDZ-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
N#Cc1cc(F)c(C(=O)[O-])cc1OC(F)(F)F	ZINC000575390564	388574286	/nfs/dbraw/zinc/57/42/86/388574286.db2.gz	XZHCARRRNIEDOA-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
CC(C#N)=C([O-])c1occc1Br	ZINC000575506375	388991945	/nfs/dbraw/zinc/99/19/45/388991945.db2.gz	GMGXTABWMFSPLJ-YFKPBYRVSA-N	-1	0	228.045	2.384	10	30		BEEERM
N#Cc1ccccc1N1CCCC[C@H]1CC(=O)[O-]	ZINC000038027245	132345766	/nfs/dbraw/zinc/34/57/66/132345766.db2.gz	OYFURTLAQXLJMG-LBPRGKRZSA-N	-1	0	244.294	2.392	10	30		BEEERM
N#Cc1ccccc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC000054297940	132364127	/nfs/dbraw/zinc/36/41/27/132364127.db2.gz	XBZDCUQQXALCAV-NSHDSACASA-N	-1	0	244.294	2.249	10	30		BEEERM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C/C=C/C)C(=O)[O-]	ZINC000263250359	135342485	/nfs/dbraw/zinc/34/24/85/135342485.db2.gz	HBMNNCOGCKISGW-PVTPVBHGSA-N	-1	0	239.315	2.124	10	30		BEEERM
C#CCN[C@H](C(=O)[O-])c1ccc(C(C)C)cc1	ZINC000051963310	166192308	/nfs/dbraw/zinc/19/23/08/166192308.db2.gz	SSJCPOLJSDLFIB-ZDUSSCGKSA-N	-1	0	231.295	2.159	10	30		BEEERM
CN(Cc1ccc(C#N)cc1)C(=S)[S-]	ZINC000095934214	172847621	/nfs/dbraw/zinc/84/76/21/172847621.db2.gz	XIEFMIUZDPZDGV-UHFFFAOYSA-N	-1	0	222.338	2.205	10	30		BEEERM
COc1cc(C#N)ccc1O[C@@H](C)CCC(=O)[O-]	ZINC000050954460	174944193	/nfs/dbraw/zinc/94/41/93/174944193.db2.gz	XKUZBCAKUODWEE-VIFPVBQESA-N	-1	0	249.266	2.199	10	30		BEEERM
C[C@H](C#N)CN(C)c1ccc(C(=O)[O-])cc1F	ZINC000042455802	176553203	/nfs/dbraw/zinc/55/32/03/176553203.db2.gz	MMDHHGOHPDQHBU-MRVPVSSYSA-N	-1	0	236.246	2.120	10	30		BEEERM
[O-]N=Cc1cccc(OC(F)(F)F)c1	ZINC000242701932	527643100	/nfs/dbraw/zinc/64/31/00/527643100.db2.gz	WTEIBXWRMZEGIK-UHFFFAOYSA-N	-1	0	205.135	2.393	10	30		BEEERM
C#CCN(CCC)c1ccc(C(=O)[O-])cc1	ZINC000130211382	591448765	/nfs/dbraw/zinc/44/87/65/591448765.db2.gz	KQFSSHOROBIIIK-UHFFFAOYSA-N	-1	0	217.268	2.234	10	30		BEEERM
CC#CCNc1cc(C)ccc1C(=O)[O-]	ZINC000167983002	636283842	/nfs/dbraw/zinc/28/38/42/636283842.db2.gz	LOXPKSDRNRWJSR-UHFFFAOYSA-N	-1	0	203.241	2.128	10	30		BEEERM
C#CC(C)(C)Nc1cc(C(=O)[O-])c(Cl)cn1	ZINC000166475583	640641969	/nfs/dbraw/zinc/64/19/69/640641969.db2.gz	BGPFMFGPNKFRIT-UHFFFAOYSA-N	-1	0	238.674	2.257	10	30		BEEERM
CCCCCCCNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC000705972684	954943155	/nfs/dbraw/zinc/94/31/55/954943155.db2.gz	YXBICOSEGCPETR-WDEREUQCSA-N	-1	0	241.331	2.184	10	30		BEEERM
COc1ccc(C(=O)/C=C\c2cocn2)c([O-])c1	ZINC000588578787	959336353	/nfs/dbraw/zinc/33/63/53/959336353.db2.gz	JWDZMBVZGMCUIB-DJWKRKHSSA-N	-1	0	245.234	2.285	10	30		BEEERM
Cc1oc(CN2CCC[C@H](C#N)C2)cc1C(=O)[O-]	ZINC000694585234	976701194	/nfs/dbraw/zinc/70/11/94/976701194.db2.gz	FCYYEFFDSBKMDD-SNVBAGLBSA-N	-1	0	248.282	2.022	10	30		BEEERM
CCOc1cc2[n-]cc(C#N)c(=O)c2cc1OC	ZINC000038954263	398196240	/nfs/dbraw/zinc/19/62/40/398196240.db2.gz	XYYZLOVSXBIDIM-UHFFFAOYSA-N	-1	0	244.250	2.219	10	30		BEEERM
Cc1cc([O-])n(C2CCCCC2)c(=O)c1C#N	ZINC000011765547	178201471	/nfs/dbraw/zinc/20/14/71/178201471.db2.gz	LBEXGUINDDHVLM-UHFFFAOYSA-N	-1	0	232.283	2.239	10	30		BEEERM
O=C([O-])C#Cc1cc(F)ccc1Br	ZINC000070835885	361780320	/nfs/dbraw/zinc/78/03/20/361780320.db2.gz	IVVCMKHLJYNXDZ-UHFFFAOYSA-N	-1	0	243.031	2.024	10	30		BEEERM
Cc1ccc(C#N)c(N[C@H](C)CC(=O)[O-])c1	ZINC000051578187	178366162	/nfs/dbraw/zinc/36/61/62/178366162.db2.gz	IIWDBIJEPCJNJF-SECBINFHSA-N	-1	0	218.256	2.142	10	30		BEEERM
C#C[C@H](C)Oc1cccc(Cl)c1C(=O)[O-]	ZINC000235561944	344005130	/nfs/dbraw/zinc/00/51/30/344005130.db2.gz	XAIZOBXHCZHMRE-ZETCQYMHSA-N	-1	0	224.643	2.439	10	30		BEEERM
C#CCOc1cc(Cl)ccc1C(=O)[O-]	ZINC000042220569	361973417	/nfs/dbraw/zinc/97/34/17/361973417.db2.gz	RVBTXLYERMBMIB-UHFFFAOYSA-N	-1	0	210.616	2.050	10	30		BEEERM
C#C[C@H](CC)Nc1ccc(C(=O)[O-])cc1	ZINC000229996231	342862727	/nfs/dbraw/zinc/86/27/27/342862727.db2.gz	RVQHNBQZWVVHJT-SNVBAGLBSA-N	-1	0	203.241	2.209	10	30		BEEERM
C#CCOc1c(C)cc(/C=C/C(=O)[O-])cc1C	ZINC000020526427	187205579	/nfs/dbraw/zinc/20/55/79/187205579.db2.gz	UEBUSGHBJMDWCL-AATRIKPKSA-N	-1	0	230.263	2.413	10	30		BEEERM
CC(C)N=Nc1sc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000039124078	187263277	/nfs/dbraw/zinc/26/32/77/187263277.db2.gz	VXKASNOVXSJVME-UHFFFAOYSA-N	-1	0	243.244	2.162	10	30		BEEERM
O=CC1=C([O-])c2cccc(Br)c2C1	ZINC000214448239	537782604	/nfs/dbraw/zinc/78/26/04/537782604.db2.gz	STFFBBBKSGPDTI-LURJTMIESA-N	-1	0	239.068	2.003	10	30		BEEERM
N#Cc1c(=O)[nH][n-]c1-c1ccc(Cl)cc1	ZINC000041166501	187264590	/nfs/dbraw/zinc/26/45/90/187264590.db2.gz	VQMAQDJFLWEMDS-UHFFFAOYSA-N	-1	0	219.631	2.307	10	30		BEEERM
N#Cc1cc(C=O)c(C(=O)[O-])cc1C(F)(F)F	ZINC000514271976	343649901	/nfs/dbraw/zinc/64/99/01/343649901.db2.gz	ZTGABTILLKLKKZ-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
C#CC[C@@H](C)Nc1nc(Cl)c(C(=O)[O-])s1	ZINC000306736573	343878140	/nfs/dbraw/zinc/87/81/40/343878140.db2.gz	XQZJSZUXHXLJEK-RXMQYKEDSA-N	-1	0	244.703	2.318	10	30		BEEERM
CC(C)(C)C#Cc1ncccc1C(=O)[O-]	ZINC000585143619	344177914	/nfs/dbraw/zinc/17/79/14/344177914.db2.gz	DBLFOIVBTUVEAN-UHFFFAOYSA-N	-1	0	203.241	2.177	10	30		BEEERM
Cc1nc(Cl)c(C#N)c(C(=O)[O-])c1Cl	ZINC000409437981	344461118	/nfs/dbraw/zinc/46/11/18/344461118.db2.gz	BMIQAVCDCPNONY-UHFFFAOYSA-N	-1	0	231.038	2.267	10	30		BEEERM
N#Cc1ccc(C(F)(F)F)cc1CC(=O)[O-]	ZINC000396124511	344609564	/nfs/dbraw/zinc/60/95/64/344609564.db2.gz	CQEMGSORSUTXDZ-UHFFFAOYSA-N	-1	0	229.157	2.204	10	30		BEEERM
Cc1cc(C#N)c(C(=O)[O-])cc1OC(F)F	ZINC000396151985	344624620	/nfs/dbraw/zinc/62/46/20/344624620.db2.gz	CMQUUSPYWJATLI-UHFFFAOYSA-N	-1	0	227.166	2.166	10	30		BEEERM
N#Cc1cc(C(F)F)c(CC(=O)[O-])cc1F	ZINC000396154739	344626424	/nfs/dbraw/zinc/62/64/24/344626424.db2.gz	PSDGEMQXEMIRJD-UHFFFAOYSA-N	-1	0	229.157	2.262	10	30		BEEERM
N#Cc1cc(F)c(C(=O)[O-])c(C(F)F)c1	ZINC000396155246	344626858	/nfs/dbraw/zinc/62/68/58/344626858.db2.gz	GQBGACRDZAQBJH-UHFFFAOYSA-N	-1	0	215.130	2.333	10	30		BEEERM
N#Cc1c(C(=O)[O-])ccc(C=O)c1C(F)F	ZINC000396155655	344627298	/nfs/dbraw/zinc/62/72/98/344627298.db2.gz	WAKOTGUCGVXZNO-UHFFFAOYSA-N	-1	0	225.150	2.007	10	30		BEEERM
CCc1cc(C)cc(CC(=O)[O-])c1C#N	ZINC000396156180	344627698	/nfs/dbraw/zinc/62/76/98/344627698.db2.gz	IHAWZEICQCGOFC-UHFFFAOYSA-N	-1	0	203.241	2.056	10	30		BEEERM
CCc1cc(CC(=O)[O-])cc(C#N)c1Cl	ZINC000396158570	344631963	/nfs/dbraw/zinc/63/19/63/344631963.db2.gz	KRBDRUQPKCRXKU-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
CCc1ccc(C#N)c(Cl)c1CC(=O)[O-]	ZINC000396160765	344633388	/nfs/dbraw/zinc/63/33/88/344633388.db2.gz	OKSTVXDLQDBBRO-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
N#Cc1c(Cl)cc(Cl)cc1CC(=O)[O-]	ZINC000307013802	344683747	/nfs/dbraw/zinc/68/37/47/344683747.db2.gz	RYOVRTYVMGDMOG-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
COc1ccc(C(F)(F)F)c(C(=O)[O-])c1C#N	ZINC000514271588	344910446	/nfs/dbraw/zinc/91/04/46/344910446.db2.gz	NGTPAXCFPUOLSV-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
N#Cc1cc(C(F)F)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000514272234	344910769	/nfs/dbraw/zinc/91/07/69/344910769.db2.gz	CWQUISCHLXGBBX-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1c(CC(=O)[O-])cccc1OC(F)(F)F	ZINC000514276537	344911996	/nfs/dbraw/zinc/91/19/96/344911996.db2.gz	SMZOECRLPXNDEJ-UHFFFAOYSA-N	-1	0	245.156	2.084	10	30		BEEERM
CCc1c(C#N)cc(Cl)cc1C(=O)[O-]	ZINC000307138816	345030872	/nfs/dbraw/zinc/03/08/72/345030872.db2.gz	CDOBXHGUXFLMQK-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
CCc1c(Cl)cc(C(=O)[O-])cc1C#N	ZINC000307546506	345809331	/nfs/dbraw/zinc/80/93/31/345809331.db2.gz	MIBWKHZDYQZREE-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
CCc1ccc(C(=O)[O-])c(C#N)c1Cl	ZINC000307470528	345795960	/nfs/dbraw/zinc/79/59/60/345795960.db2.gz	VWHZEJSBIDOAST-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
C=C(C)CNc1cc(C(=O)[O-])cc(Cl)n1	ZINC000167614216	346291258	/nfs/dbraw/zinc/29/12/58/346291258.db2.gz	SXWQHOXIXFJOPX-UHFFFAOYSA-N	-1	0	226.663	2.421	10	30		BEEERM
C=CCc1cc2ccc(=O)oc2cc1O	ZINC000026404191	187320313	/nfs/dbraw/zinc/32/03/13/187320313.db2.gz	WYLTUGMQOSFQPX-UHFFFAOYSA-N	-1	0	202.209	2.227	10	30		BEEERM
N#Cc1ccccc1Cn1ccc(C(=O)[O-])c1	ZINC000091840137	346473665	/nfs/dbraw/zinc/47/36/65/346473665.db2.gz	CCYAHSNRMOBUIV-UHFFFAOYSA-N	-1	0	226.235	2.106	10	30		BEEERM
Cc1ccccc1-c1ncc(C#N)c(=O)[n-]1	ZINC000071518106	179239371	/nfs/dbraw/zinc/23/93/71/179239371.db2.gz	SSCBFHSIWZZPFD-UHFFFAOYSA-N	-1	0	211.224	2.029	10	30		BEEERM
C=CCN(C(=O)CCCC(=O)[O-])C1CCCC1	ZINC000037834056	166309796	/nfs/dbraw/zinc/30/97/96/166309796.db2.gz	TXGLCSBJUGXSOP-UHFFFAOYSA-N	-1	0	239.315	2.199	10	30		BEEERM
CCc1cc(C#N)c(Cl)c(C(=O)[O-])c1	ZINC000306708163	350856892	/nfs/dbraw/zinc/85/68/92/350856892.db2.gz	SJGCIEABLXPBQT-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
CCc1cc(Cl)cc(C(=O)[O-])c1C#N	ZINC000306746365	350934361	/nfs/dbraw/zinc/93/43/61/350934361.db2.gz	IVULSIRJKIRUBX-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
COC(=O)c1c([S-])ccc(C#N)c1Cl	ZINC000306722286	350889188	/nfs/dbraw/zinc/88/91/88/350889188.db2.gz	PVWVPIOYRSPPOD-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
Cc1c(Br)cc(C#N)cc1C(=O)[O-]	ZINC000307326206	352018257	/nfs/dbraw/zinc/01/82/57/352018257.db2.gz	IUXBCAKCZKSENZ-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
CCc1cc(Cl)c(C(=O)[O-])cc1C#N	ZINC000307343021	352089335	/nfs/dbraw/zinc/08/93/35/352089335.db2.gz	WPUUSZVTFVXVST-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
COC(=O)c1cc(Cl)c([S-])c(C#N)c1	ZINC000307434846	352594788	/nfs/dbraw/zinc/59/47/88/352594788.db2.gz	PKUXCOODBOGDRW-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
N#Cc1cc(CC(=O)[O-])c(Cl)cc1Cl	ZINC000307446403	352602278	/nfs/dbraw/zinc/60/22/78/352602278.db2.gz	HCJCDHILOWXCGS-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
Cc1cc(Br)c(C(=O)[O-])cc1C#N	ZINC000307707199	353094922	/nfs/dbraw/zinc/09/49/22/353094922.db2.gz	HADNECFERXGKQB-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
C=C[C@H](C)c1c(O)cc(C(=O)[O-])cc1OC	ZINC000098180162	188051090	/nfs/dbraw/zinc/05/10/90/188051090.db2.gz	ZZHHWSAXSCVSEZ-ZETCQYMHSA-N	-1	0	222.240	2.389	10	30		BEEERM
O=C([O-])C#C[C@@H]1CCCC[C@H]1C(F)(F)F	ZINC000129530880	353322891	/nfs/dbraw/zinc/32/28/91/353322891.db2.gz	QHOPSMPJUWCIHI-JGVFFNPUSA-N	-1	0	220.190	2.443	10	30		BEEERM
C#CCN(C)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000130964095	353361983	/nfs/dbraw/zinc/36/19/83/353361983.db2.gz	ZPCAHPWAJVYIKB-UHFFFAOYSA-N	-1	0	223.659	2.108	10	30		BEEERM
C=C(CNc1ccc(C)c(C)c1)C(=O)[O-]	ZINC000232436587	353719431	/nfs/dbraw/zinc/71/94/31/353719431.db2.gz	RUDFQEHJWBYXTF-UHFFFAOYSA-N	-1	0	205.257	2.356	10	30		BEEERM
C[C@@H]1CC(=NOCC(=O)[O-])CC(C)(C)C1	ZINC000252459569	363265380	/nfs/dbraw/zinc/26/53/80/363265380.db2.gz	MZDXWUMXFDFJRC-MRVPVSSYSA-N	-1	0	213.277	2.290	10	30		BEEERM
N#CC=C([O-])c1nc2ccccc2s1	ZINC000036404907	181034755	/nfs/dbraw/zinc/03/47/55/181034755.db2.gz	UBVFFVYGSOWKFW-UHFFFAOYSA-N	-1	0	202.238	2.393	10	30		BEEERM
N#Cc1cc(N[C@H]2CCC[C@H](C(=O)[O-])C2)ccn1	ZINC000070556332	181091260	/nfs/dbraw/zinc/09/12/60/181091260.db2.gz	ARPULNJKVORWCQ-UWVGGRQHSA-N	-1	0	245.282	2.009	10	30		BEEERM
N#Cc1cccc(-c2cnccc2C(=O)[O-])c1F	ZINC000065347704	181133939	/nfs/dbraw/zinc/13/39/39/181133939.db2.gz	QRFWHAMOZBJAPH-UHFFFAOYSA-N	-1	0	242.209	2.458	10	30		BEEERM
O=C([O-])/C(F)=C(/F)C(F)(F)C(F)(F)F	ZINC000096102720	538614986	/nfs/dbraw/zinc/61/49/86/538614986.db2.gz	NZKAIQVCNVGSRE-UPHRSURJSA-N	-1	0	226.047	2.419	10	30		BEEERM
[O-]/N=C(\Cl)c1cccc(C(F)F)n1	ZINC000584628930	358298401	/nfs/dbraw/zinc/29/84/01/358298401.db2.gz	ZNXCWOSJZAEXDI-SDQBBNPISA-N	-1	0	206.579	2.394	10	30		BEEERM
CC(C=N[O-])N=Nc1c(F)cccc1F	ZINC000584647539	358302203	/nfs/dbraw/zinc/30/22/03/358302203.db2.gz	YFVYYSQFNJSXQH-BYDSPXIWSA-N	-1	0	213.187	2.213	10	30		BEEERM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCC3)cc1	ZINC000104707347	358351567	/nfs/dbraw/zinc/35/15/67/358351567.db2.gz	HGKSRCZLOVUOEJ-LLVKDONJSA-N	-1	0	225.251	2.061	10	30		BEEERM
C[C@H](C#N)Oc1cccc(C(=O)[O-])c1Cl	ZINC000306207160	359299114	/nfs/dbraw/zinc/29/91/14/359299114.db2.gz	QQLWKOKYYKISBR-ZCFIWIBFSA-N	-1	0	225.631	2.329	10	30		BEEERM
N#C[C@@H](C(=O)[O-])c1cccc(Cl)c1F	ZINC000169266344	360015487	/nfs/dbraw/zinc/01/54/87/360015487.db2.gz	BOGBORNKFVAIKY-ZCFIWIBFSA-N	-1	0	213.595	2.171	10	30		BEEERM
Cc1c(Br)cc(C(=O)[O-])cc1C#N	ZINC000306624461	361284975	/nfs/dbraw/zinc/28/49/75/361284975.db2.gz	CDIRQPOVLFVWSL-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
C#CCSc1nc(C)cc(C)c1C(=O)[O-]	ZINC000041635879	361687094	/nfs/dbraw/zinc/68/70/94/361687094.db2.gz	ITYUKNSWZNPFIU-UHFFFAOYSA-N	-1	0	221.281	2.122	10	30		BEEERM
C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)[O-])C1	ZINC000231154079	368418234	/nfs/dbraw/zinc/41/82/34/368418234.db2.gz	LGENUJCILYPUNL-LBPRGKRZSA-N	-1	0	241.287	2.027	10	30		BEEERM
CCCCN(CC(=O)[O-])c1cccc(C#N)c1	ZINC000076614993	168787005	/nfs/dbraw/zinc/78/70/05/168787005.db2.gz	GIEALLQHFYRJML-UHFFFAOYSA-N	-1	0	232.283	2.249	10	30		BEEERM
Cc1[n-][nH]c(=O)c1N=Nc1ccc(C)c(C)c1	ZINC000005818358	384131977	/nfs/dbraw/zinc/13/19/77/384131977.db2.gz	VGNKKDJVSMMRHX-UHFFFAOYSA-N	-1	0	230.271	2.417	10	30		BEEERM
CCc1cc(C#N)cc([S-])c1CC#N	ZINC000575646237	384218709	/nfs/dbraw/zinc/21/87/09/384218709.db2.gz	NYZMYJYLYORKEY-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
O=CC=C([O-])c1cc(Br)cs1	ZINC000105877613	384884838	/nfs/dbraw/zinc/88/48/38/384884838.db2.gz	CEAIHBYMSCRXRH-UHFFFAOYSA-N	-1	0	233.086	2.282	10	30		BEEERM
CCOc1ccc(-c2ncc(C#N)c(=O)[n-]2)cc1	ZINC000071550414	384968920	/nfs/dbraw/zinc/96/89/20/384968920.db2.gz	ZYFBMNFSDHGUIK-UHFFFAOYSA-N	-1	0	241.250	2.120	10	30		BEEERM
CC(C)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000052233104	385706753	/nfs/dbraw/zinc/70/67/53/385706753.db2.gz	XCTGEVAKATUJCM-NSHDSACASA-N	-1	0	203.241	2.382	10	30		BEEERM
COc1c(C#N)ccc(C(F)F)c1CC(=O)[O-]	ZINC000575343659	386691288	/nfs/dbraw/zinc/69/12/88/386691288.db2.gz	WWSNTHGKXFCNEK-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
COc1cc(C(F)F)cc(CC(=O)[O-])c1C#N	ZINC000575343650	386692025	/nfs/dbraw/zinc/69/20/25/386692025.db2.gz	VSOPAIXCQRXFDJ-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
CCOC(=O)c1cc([O-])c(C(F)F)c(C#N)c1	ZINC000575387290	386947299	/nfs/dbraw/zinc/94/72/99/386947299.db2.gz	AIMYMRPNHVCUKT-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
CCc1c(C#N)cc(C(=O)[O-])cc1OC(F)F	ZINC000575385194	386943416	/nfs/dbraw/zinc/94/34/16/386943416.db2.gz	BMSNRYRHKDOVLZ-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
CCc1ccc(C(=O)[O-])c(OC(F)F)c1C#N	ZINC000575385451	386945191	/nfs/dbraw/zinc/94/51/91/386945191.db2.gz	RFRSSWFQDZFWAW-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
N#Cc1c(C(F)F)ccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000575389407	386952567	/nfs/dbraw/zinc/95/25/67/386952567.db2.gz	LWVPYVRFGYNEKL-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
Cc1cc(OC(F)F)cc(C#N)c1CC(=O)[O-]	ZINC000575387849	386957228	/nfs/dbraw/zinc/95/72/28/386957228.db2.gz	MBNUIFXHYQQHKM-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1c(F)c(C(=O)[O-])ccc1OC(F)(F)F	ZINC000575390545	386959613	/nfs/dbraw/zinc/95/96/13/386959613.db2.gz	VZDKPXPKPGVVIK-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
COC(=O)c1cc(C(F)(F)F)c([O-])cc1C#N	ZINC000575392207	386964070	/nfs/dbraw/zinc/96/40/70/386964070.db2.gz	OKTLOHNLVJZCMN-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
COc1cc(C(=O)[O-])c(C#N)c(C(F)(F)F)c1	ZINC000575394442	386992902	/nfs/dbraw/zinc/99/29/02/386992902.db2.gz	KWEIOXKYGOWDFB-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
Cc1cc(OC(F)(F)F)c(C#N)cc1C(=O)[O-]	ZINC000575395007	386996095	/nfs/dbraw/zinc/99/60/95/386996095.db2.gz	SSMARRJVWIYRPF-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1c(OC(F)(F)F)ccc(C#N)c1C(=O)[O-]	ZINC000575395116	386996223	/nfs/dbraw/zinc/99/62/23/386996223.db2.gz	YPSQWCIWFNUNRR-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1cc(OC(F)(F)F)cc(C(=O)[O-])c1C#N	ZINC000575395021	386997145	/nfs/dbraw/zinc/99/71/45/386997145.db2.gz	UKIWBROFKHMCSE-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
N#Cc1ccc(F)c(C(F)(F)F)c1CC(=O)[O-]	ZINC000575390383	386950835	/nfs/dbraw/zinc/95/08/35/386950835.db2.gz	GZLSJQZVGSMJNA-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
O=C([O-])c1ccc(C#Cc2ccncc2)cc1	ZINC000090686159	387202818	/nfs/dbraw/zinc/20/28/18/387202818.db2.gz	PYYKTYOHZJQKLY-UHFFFAOYSA-N	-1	0	223.231	2.180	10	30		BEEERM
N#CC=C([O-])c1ncsc1Br	ZINC000575488234	387256556	/nfs/dbraw/zinc/25/65/56/387256556.db2.gz	WRABZHIBIFEJFV-UHFFFAOYSA-N	-1	0	231.074	2.002	10	30		BEEERM
N#Cc1cc([N+](=O)[O-])c(C(F)F)cc1[O-]	ZINC000575666948	387321891	/nfs/dbraw/zinc/32/18/91/387321891.db2.gz	BUPAUSLPZJMIGP-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#Cc1cc(C(F)F)cc([N+](=O)[O-])c1[O-]	ZINC000575669517	387329279	/nfs/dbraw/zinc/32/92/79/387329279.db2.gz	ZEFOVHYTCFGMTO-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
CCOc1cc(C#N)c([S-])c(CC#N)c1	ZINC000575646455	387880308	/nfs/dbraw/zinc/88/03/08/387880308.db2.gz	NMQBLZRRQIOOCK-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
N#Cc1cc(C=O)c(C(F)(F)F)c(C(=O)[O-])c1	ZINC000575391554	388596396	/nfs/dbraw/zinc/59/63/96/388596396.db2.gz	VKOCKNSQNBTZPA-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
COc1c(CC(=O)[O-])cc(C#N)cc1C(F)F	ZINC000575343541	388809700	/nfs/dbraw/zinc/80/97/00/388809700.db2.gz	GIMUYCYALMFZNL-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
O=CC=C([O-])c1ccc(Br)cn1	ZINC000575499564	388989836	/nfs/dbraw/zinc/98/98/36/388989836.db2.gz	NTFAKKDKVSZQOV-ONEGZZNKSA-N	-1	0	228.045	2.099	10	30		BEEERM
C[C@]1(C(=O)[O-])CCCN(c2ccccc2C#N)C1	ZINC000062874652	132388581	/nfs/dbraw/zinc/38/85/81/132388581.db2.gz	QISDYLMZVAOGDL-AWEZNQCLSA-N	-1	0	244.294	2.249	10	30		BEEERM
Cc1[n-]oc(=O)c1N=Nc1ccc(Cl)cc1	ZINC000018192368	168136873	/nfs/dbraw/zinc/13/68/73/168136873.db2.gz	RBMLILIGAJMBAX-LCYFTJDESA-N	-1	0	237.646	2.041	10	30		BEEERM
CN(CCC#N)c1c(F)cc(C(=O)[O-])cc1F	ZINC000062721220	172666392	/nfs/dbraw/zinc/66/63/92/172666392.db2.gz	PNTGGYVKXKINAM-UHFFFAOYSA-N	-1	0	240.209	2.013	10	30		BEEERM
C[C@@H](CC(=O)[O-])Nc1ccc(C#N)cc1Cl	ZINC000062790373	175644867	/nfs/dbraw/zinc/64/48/67/175644867.db2.gz	HBTIBDSHGCLPKJ-ZETCQYMHSA-N	-1	0	238.674	2.487	10	30		BEEERM
CC(=N[O-])c1ccc(Br)cc1O	ZINC000301054873	519351824	/nfs/dbraw/zinc/35/18/24/519351824.db2.gz	NWRUTNXANKUWOG-UHFFFAOYSA-N	-1	0	230.061	2.353	10	30		BEEERM
CC[C@@](C=O)(C(=O)[O-])c1cc2ccccc2o1	ZINC000095079519	523682911	/nfs/dbraw/zinc/68/29/11/523682911.db2.gz	GDBGFTMATUPZEI-ZDUSSCGKSA-N	-1	0	232.235	2.364	10	30		BEEERM
CC#CCSCc1ccc(C(=O)[O-])o1	ZINC000757141687	582522621	/nfs/dbraw/zinc/52/26/21/582522621.db2.gz	ASGIHPBKEDYHBP-UHFFFAOYSA-N	-1	0	210.254	2.234	10	30		BEEERM
C#CCC(C)(C)Nc1ncc(C(=O)[O-])s1	ZINC000757176835	582552477	/nfs/dbraw/zinc/55/24/77/582552477.db2.gz	FYWFBZRGHIVKRH-UHFFFAOYSA-N	-1	0	224.285	2.055	10	30		BEEERM
CC(C=O)=C([O-])c1cccc(Br)c1	ZINC000235446740	582579974	/nfs/dbraw/zinc/57/99/74/582579974.db2.gz	HZURAIGMMQPFNK-SSDOTTSWSA-N	-1	0	241.084	2.467	10	30		BEEERM
CC(C)(C)c1ccc(C=O)c(C#CC(=O)[O-])c1	ZINC000757569625	586367252	/nfs/dbraw/zinc/36/72/52/586367252.db2.gz	URJQWUKAQDYYAK-UHFFFAOYSA-N	-1	0	230.263	2.233	10	30		BEEERM
CC#CCCNc1ccccc1C(=O)[O-]	ZINC000125854037	590193964	/nfs/dbraw/zinc/19/39/64/590193964.db2.gz	SEKKVQLGEPJTBG-UHFFFAOYSA-N	-1	0	203.241	2.210	10	30		BEEERM
C#C[C@H](CCC)Nc1ccc(C(=O)[O-])o1	ZINC000229996609	633006870	/nfs/dbraw/zinc/00/68/70/633006870.db2.gz	MSBOYLCESBNYFK-MRVPVSSYSA-N	-1	0	207.229	2.192	10	30		BEEERM
C#CC[C@@H](C)Nc1cc(C(=O)[O-])c(Cl)cn1	ZINC000166480907	640643290	/nfs/dbraw/zinc/64/32/90/640643290.db2.gz	ZTHJJGIJKRHBRE-SSDOTTSWSA-N	-1	0	238.674	2.257	10	30		BEEERM
C=C1CCC(CNc2nccc(C(=O)[O-])n2)CC1	ZINC000724435871	978228579	/nfs/dbraw/zinc/22/85/79/978228579.db2.gz	FNFIWZQDIGDYPM-UHFFFAOYSA-N	-1	0	247.298	2.333	10	30		BEEERM
CC(C)[C@@H](Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000043441521	1171286902	/nfs/dbraw/zinc/28/69/02/1171286902.db2.gz	WWZZZTQHHFPSOD-LLVKDONJSA-N	-1	0	236.246	2.218	10	30		BEEERM
N#Cc1ccccc1[C@@H]1CCN(C(=O)[O-])C1	ZINC000616611816	349472458	/nfs/dbraw/zinc/47/24/58/349472458.db2.gz	RXMYPNRBFQKOPB-SNVBAGLBSA-N	-1	0	216.240	2.026	10	30		BEEERM
Cc1cc(N(C)CCC#N)ccc1C(=O)[O-]	ZINC000050576102	178099507	/nfs/dbraw/zinc/09/95/07/178099507.db2.gz	OYDADYCOXPHGLJ-UHFFFAOYSA-N	-1	0	218.256	2.043	10	30		BEEERM
COC(=O)c1cc(Cl)c([S-])cc1C#N	ZINC000306604138	398218543	/nfs/dbraw/zinc/21/85/43/398218543.db2.gz	NKRBWWBOWHJCIH-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
O=C([O-])C#Cc1csc2ccccc12	ZINC000070835720	361781546	/nfs/dbraw/zinc/78/15/46/361781546.db2.gz	MQUVIABCTRIPTG-UHFFFAOYSA-N	-1	0	202.234	2.337	10	30		BEEERM
O=C([O-])C#Cc1cc2c(s1)CCCCC2	ZINC000070835664	361779783	/nfs/dbraw/zinc/77/97/83/361779783.db2.gz	KSIWGXRUHWZWEZ-UHFFFAOYSA-N	-1	0	220.293	2.453	10	30		BEEERM
Cc1ccc(C#N)cc1N[C@@H](C)CC(=O)[O-]	ZINC000050430268	178367033	/nfs/dbraw/zinc/36/70/33/178367033.db2.gz	KNZBDMILCQDNDP-VIFPVBQESA-N	-1	0	218.256	2.142	10	30		BEEERM
CC(F)(F)C(F)(F)C(F)(F)C([O-])(F)F	ZINC000003604269	398324653	/nfs/dbraw/zinc/32/46/53/398324653.db2.gz	KUGBQWBWWNPMIT-UHFFFAOYSA-N	-1	0	232.070	2.497	10	30		BEEERM
C[C@H](C#N)Oc1cccc(Cl)c1C(=O)[O-]	ZINC000128055299	398333711	/nfs/dbraw/zinc/33/37/11/398333711.db2.gz	GWRVIGNTTNVCNO-ZCFIWIBFSA-N	-1	0	225.631	2.329	10	30		BEEERM
Cc1cccc(C[C@@H](S)C(=O)[O-])c1C	ZINC000043314514	343047722	/nfs/dbraw/zinc/04/77/22/343047722.db2.gz	IVDQRUCVLHYXBZ-SNVBAGLBSA-N	-1	0	210.298	2.229	10	30		BEEERM
CC(C)=CN=Nc1ccc(C(=O)[O-])cc1	ZINC000039085349	343381513	/nfs/dbraw/zinc/38/15/13/343381513.db2.gz	KGWBHVXIOVVDCJ-GHXNOFRVSA-N	-1	0	204.229	2.359	10	30		BEEERM
CC(C)(C)OC(=O)C=C([O-])c1cccc(C#N)c1	ZINC000165137981	343548338	/nfs/dbraw/zinc/54/83/38/343548338.db2.gz	NJGOKCQKYUXLSX-UHFFFAOYSA-N	-1	0	245.278	2.473	10	30		BEEERM
C#C[C@H](C)Nc1c(C)cccc1C(=O)[O-]	ZINC000221699762	346963818	/nfs/dbraw/zinc/96/38/18/346963818.db2.gz	ULISBINLPIKXTF-VIFPVBQESA-N	-1	0	203.241	2.127	10	30		BEEERM
CC#CCOc1ccc(C)c(C(=O)[O-])c1	ZINC000307589853	343940350	/nfs/dbraw/zinc/94/03/50/343940350.db2.gz	BHSSAYJUUICKML-UHFFFAOYSA-N	-1	0	204.225	2.095	10	30		BEEERM
O=C([O-])/C(F)=C(/F)[C@](F)(CF)C(F)(F)F	ZINC000071602823	343965166	/nfs/dbraw/zinc/96/51/66/343965166.db2.gz	CKWJFJONYPNEKI-RLUJCOFPSA-N	-1	0	240.074	2.462	10	30		BEEERM
Cc1ccc(C(F)F)c(C#N)c1CC(=O)[O-]	ZINC000396152093	344624793	/nfs/dbraw/zinc/62/47/93/344624793.db2.gz	MNPZECOCPBRNIR-UHFFFAOYSA-N	-1	0	225.194	2.431	10	30		BEEERM
CCc1ccc(CC)c(C(=O)[O-])c1C#N	ZINC000396154364	344626075	/nfs/dbraw/zinc/62/60/75/344626075.db2.gz	FRXPCAKSPAAEQI-UHFFFAOYSA-N	-1	0	203.241	2.381	10	30		BEEERM
N#Cc1cc(C(F)F)c(C(=O)[O-])cc1F	ZINC000396154310	344626246	/nfs/dbraw/zinc/62/62/46/344626246.db2.gz	FLIZXNYZGXFQNU-UHFFFAOYSA-N	-1	0	215.130	2.333	10	30		BEEERM
CCc1c(C)c(CC(=O)[O-])ccc1C#N	ZINC000396156969	344628068	/nfs/dbraw/zinc/62/80/68/344628068.db2.gz	JGVGXMFALMURHA-UHFFFAOYSA-N	-1	0	203.241	2.056	10	30		BEEERM
CCc1ccc(CC(=O)[O-])c(C#N)c1C	ZINC000396159375	344632505	/nfs/dbraw/zinc/63/25/05/344632505.db2.gz	LPKUVIBYDJUPPH-UHFFFAOYSA-N	-1	0	203.241	2.056	10	30		BEEERM
C=C[C@@H](C)NC(=O)c1ccccc1[S-]	ZINC000235176797	344834837	/nfs/dbraw/zinc/83/48/37/344834837.db2.gz	DFPJUCGOPPUVSC-MRVPVSSYSA-N	-1	0	207.298	2.280	10	30		BEEERM
Cc1cc(C#N)c(OC(F)(F)F)cc1C(=O)[O-]	ZINC000514272161	344910593	/nfs/dbraw/zinc/91/05/93/344910593.db2.gz	JIRNKZDVNAZIGA-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1cc(CC(=O)[O-])cc(OC(F)F)c1C#N	ZINC000514274954	344911173	/nfs/dbraw/zinc/91/11/73/344911173.db2.gz	GJKQRAHOJVMWHN-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1c(C(=O)[O-])ccc([N+](=O)[O-])c1C(F)F	ZINC000514272589	344911226	/nfs/dbraw/zinc/91/12/26/344911226.db2.gz	JAUGARIGOWESMJ-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
Cc1c(OC(F)(F)F)ccc(C(=O)[O-])c1C#N	ZINC000514272536	344911277	/nfs/dbraw/zinc/91/12/77/344911277.db2.gz	LVBAEGMQPMBXRF-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])c(F)c1OC(F)(F)F	ZINC000514272350	344911407	/nfs/dbraw/zinc/91/14/07/344911407.db2.gz	LNTYYYWAWXTLLV-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
C=C[C@H](C)Nc1nc(C)ccc1C(=O)[O-]	ZINC000229278443	345472184	/nfs/dbraw/zinc/47/21/84/345472184.db2.gz	ZXGKACNDQMPDIA-ZETCQYMHSA-N	-1	0	206.245	2.075	10	30		BEEERM
Cc1cc(C#N)cc(C(=O)[O-])c1Br	ZINC000307433355	345785807	/nfs/dbraw/zinc/78/58/07/345785807.db2.gz	NTWGEHNFFGOGMJ-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
N#Cc1ccc(Cl)cc1NC=CC(=O)[O-]	ZINC000236444983	346241213	/nfs/dbraw/zinc/24/12/13/346241213.db2.gz	GMKOOQLDKHGJIQ-ONEGZZNKSA-N	-1	0	222.631	2.222	10	30		BEEERM
CC#CCOc1cc(C)ccc1C(=O)[O-]	ZINC000051662209	350020907	/nfs/dbraw/zinc/02/09/07/350020907.db2.gz	FULAIQHNSDKWLA-UHFFFAOYSA-N	-1	0	204.225	2.095	10	30		BEEERM
COc1ccc(-c2[n-]c(=O)ccc2C#N)cc1	ZINC000616590925	350041026	/nfs/dbraw/zinc/04/10/26/350041026.db2.gz	MYERNYKVRCYWMF-UHFFFAOYSA-N	-1	0	226.235	2.334	10	30		BEEERM
Cc1nn(CCC#N)c2sc(C(=O)[O-])cc12	ZINC000037469795	180386855	/nfs/dbraw/zinc/38/68/55/180386855.db2.gz	DEKXJMRMSKQOQH-UHFFFAOYSA-N	-1	0	235.268	2.018	10	30		BEEERM
N#Cc1cccc([C@H]2CCCN2C(=O)[O-])c1	ZINC000616606739	350798477	/nfs/dbraw/zinc/79/84/77/350798477.db2.gz	JFDOVTOGJXCPMJ-LLVKDONJSA-N	-1	0	216.240	2.373	10	30		BEEERM
Cc1cc(C#N)c(Cl)c(CC(=O)[O-])c1	ZINC000306774570	351015693	/nfs/dbraw/zinc/01/56/93/351015693.db2.gz	VWSVWAOGKCMZQZ-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
CCc1cc(C#N)c(Cl)cc1C(=O)[O-]	ZINC000307162613	351523210	/nfs/dbraw/zinc/52/32/10/351523210.db2.gz	LLFKPWZMQPSBNH-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
N#Cc1cc(F)c(C(=O)[O-])cc1C(F)F	ZINC000396169878	352554395	/nfs/dbraw/zinc/55/43/95/352554395.db2.gz	ZCRJPIOHBHUHMV-UHFFFAOYSA-N	-1	0	215.130	2.333	10	30		BEEERM
C=C[C@H](C)Nc1nc(Cl)ccc1C(=O)[O-]	ZINC000229236332	352666467	/nfs/dbraw/zinc/66/64/67/352666467.db2.gz	BTRAMCPYUNTGPC-LURJTMIESA-N	-1	0	226.663	2.420	10	30		BEEERM
O=C([O-])/C(Cc1ccc(C(F)(F)F)cc1)=N\O	ZINC000725273765	538104875	/nfs/dbraw/zinc/10/48/75/538104875.db2.gz	BHSCSLLOAAGIAU-ZSOIEALJSA-N	-1	0	247.172	2.163	10	30		BEEERM
CC#CCC[C@@]1(C(=O)[O-])CCCCC1=O	ZINC000232454239	352680108	/nfs/dbraw/zinc/68/01/08/352680108.db2.gz	STWAKWMZAYVRGK-GFCCVEGCSA-N	-1	0	208.257	2.004	10	30		BEEERM
C=C(C)CSc1nc(C)nc(C)c1C(=O)[O-]	ZINC000035659731	188104077	/nfs/dbraw/zinc/10/40/77/188104077.db2.gz	IIRDHAFOECDVGF-UHFFFAOYSA-N	-1	0	238.312	2.460	10	30		BEEERM
C#CCCN(CCCC(=O)[O-])c1ccccc1	ZINC000037595756	188151701	/nfs/dbraw/zinc/15/17/01/188151701.db2.gz	ZNAZLWKERYBYGN-UHFFFAOYSA-N	-1	0	231.295	2.381	10	30		BEEERM
COc1ccc([C@H]2CC(=O)CC(=O)[C@H]2C#N)cc1	ZINC000100905396	188150017	/nfs/dbraw/zinc/15/00/17/188150017.db2.gz	RKTYGMKBIVSGQB-OLZOCXBDSA-N	-1	0	243.262	2.333	10	30		BEEERM
C#C[C@H](Nc1ccc(C(=O)[O-])o1)C(C)C	ZINC000300968432	363231436	/nfs/dbraw/zinc/23/14/36/363231436.db2.gz	RTVNNRLVKZJREK-QMMMGPOBSA-N	-1	0	207.229	2.048	10	30		BEEERM
N#Cc1c(Cl)cc([O-])c(O)c1Cl	ZINC000039096426	181073788	/nfs/dbraw/zinc/07/37/88/181073788.db2.gz	MXLKSSGRAMWNQO-UHFFFAOYSA-N	-1	0	204.012	2.276	10	30		BEEERM
C#CCOc1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000054552705	188580529	/nfs/dbraw/zinc/58/05/29/188580529.db2.gz	XCNHJEVDISJZLV-UHFFFAOYSA-N	-1	0	244.168	2.416	10	30		BEEERM
N#Cc1ccc(-c2cc(C(=O)[O-])ccn2)cc1	ZINC000065347163	181093882	/nfs/dbraw/zinc/09/38/82/181093882.db2.gz	AMVOHNYZDRUSSS-UHFFFAOYSA-N	-1	0	224.219	2.318	10	30		BEEERM
N#Cc1cc(N[C@@H]2CCC[C@H](C(=O)[O-])C2)ccn1	ZINC000070556331	181091331	/nfs/dbraw/zinc/09/13/31/181091331.db2.gz	ARPULNJKVORWCQ-VHSXEESVSA-N	-1	0	245.282	2.009	10	30		BEEERM
N#Cc1ccc(CSCCC(=O)[O-])c(F)c1	ZINC000019512804	181111180	/nfs/dbraw/zinc/11/11/80/181111180.db2.gz	GOVUOUROELDKPL-UHFFFAOYSA-N	-1	0	239.271	2.405	10	30		BEEERM
N#Cc1ccc(F)c(-c2ccncc2C(=O)[O-])c1	ZINC000065355767	181112697	/nfs/dbraw/zinc/11/26/97/181112697.db2.gz	HOHTXVMLJVIZMV-UHFFFAOYSA-N	-1	0	242.209	2.458	10	30		BEEERM
N#Cc1cccc(-c2cncc(C(=O)[O-])c2)c1F	ZINC000065347706	181133852	/nfs/dbraw/zinc/13/38/52/181133852.db2.gz	GIEPTZBEVJCGJV-UHFFFAOYSA-N	-1	0	242.209	2.458	10	30		BEEERM
N#Cc1cccc(Oc2ncccc2C(=O)[O-])c1	ZINC000019398365	181143565	/nfs/dbraw/zinc/14/35/65/181143565.db2.gz	GFDPNUPEIBITSU-UHFFFAOYSA-N	-1	0	240.218	2.444	10	30		BEEERM
N#Cc1ccccc1Nc1cc(C(=O)[O-])ccn1	ZINC000019845029	181149229	/nfs/dbraw/zinc/14/92/29/181149229.db2.gz	GVMSCHDVAZFHRL-UHFFFAOYSA-N	-1	0	239.234	2.395	10	30		BEEERM
N#Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O	ZINC000071535705	181161736	/nfs/dbraw/zinc/16/17/36/181161736.db2.gz	HOAKRQVRQBBRFD-UHFFFAOYSA-N	-1	0	231.642	2.374	10	30		BEEERM
O=C([O-])C#C[C@H]1CCCc2sccc21	ZINC000168498442	355857940	/nfs/dbraw/zinc/85/79/40/355857940.db2.gz	GHOUNSUGYDVPAF-MRVPVSSYSA-N	-1	0	206.266	2.256	10	30		BEEERM
O=CC=C([O-])c1cc(Br)ccc1F	ZINC000131953058	538595842	/nfs/dbraw/zinc/59/58/42/538595842.db2.gz	XDFBENBCWJXGSN-UHFFFAOYSA-N	-1	0	245.047	2.360	10	30		BEEERM
O=C([O-])CO/N=C1/CCC[C@H]1c1ccccc1	ZINC000584591268	358249849	/nfs/dbraw/zinc/24/98/49/358249849.db2.gz	ASTQEPJCOJKGNU-CDZMIXDFSA-N	-1	0	233.267	2.411	10	30		BEEERM
CCC(/C=C/[C@](C)(O)C1(C#N)CC1)=C/C(=O)[O-]	ZINC000584624105	358291763	/nfs/dbraw/zinc/29/17/63/358291763.db2.gz	UJMUPTWOVVJTQJ-BRGFXNTPSA-N	-1	0	235.283	2.018	10	30		BEEERM
CC(/C=C/[C@@](O)(C(C)C)C1(C#N)CC1)=C/C(=O)[O-]	ZINC000584623910	358291974	/nfs/dbraw/zinc/29/19/74/358291974.db2.gz	GMCRTDRNVLMHML-VWXRSTNWSA-N	-1	0	249.310	2.264	10	30		BEEERM
CCOC(=O)C1=C([O-])[C@H](C)c2ccccc2C1=O	ZINC000584626753	358296188	/nfs/dbraw/zinc/29/61/88/358296188.db2.gz	GAIUGUGRXMPMKO-MRVPVSSYSA-N	-1	0	246.262	2.205	10	30		BEEERM
Cc1c(Cl)ccc(C#N)c1CC(=O)[O-]	ZINC000306594731	360512178	/nfs/dbraw/zinc/51/21/78/360512178.db2.gz	DPWNJMMELGHDGH-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
CC(C)(C)[C@@H](C(=O)[O-])n1cccc1C#N	ZINC000306639906	361593342	/nfs/dbraw/zinc/59/33/42/361593342.db2.gz	OMMMRNRRWDLLLO-SECBINFHSA-N	-1	0	206.245	2.032	10	30		BEEERM
C=C(C)Cn1nnc(C(=O)[O-])c1C1CCCC1	ZINC000725255997	541332741	/nfs/dbraw/zinc/33/27/41/541332741.db2.gz	QOPINOYOHQMACV-UHFFFAOYSA-N	-1	0	235.287	2.210	10	30		BEEERM
O=C([O-])/C(F)=C(/F)[C@@](F)(CF)C(F)(F)F	ZINC000071602827	368411758	/nfs/dbraw/zinc/41/17/58/368411758.db2.gz	CKWJFJONYPNEKI-KQLGLEPJSA-N	-1	0	240.074	2.462	10	30		BEEERM
N#Cc1c[nH]c2c(ccc3c2CCCC3)c1=O	ZINC000019473937	371151042	/nfs/dbraw/zinc/15/10/42/371151042.db2.gz	QKKDMGKZGKMONL-UHFFFAOYSA-N	-1	0	224.263	2.279	10	30		BEEERM
C/C(=C/c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000228817027	372083386	/nfs/dbraw/zinc/08/33/86/372083386.db2.gz	WUDVDBQTIPAGDX-DAXSKMNVSA-N	-1	0	205.188	2.185	10	30		BEEERM
O=[N+]([O-])c1cc(/C=N/[O-])ccc1Br	ZINC000039406703	372964646	/nfs/dbraw/zinc/96/46/46/372964646.db2.gz	ZXCVVUHPMQIDIV-RUDMXATFSA-N	-1	0	245.032	2.165	10	30		BEEERM
C#CCCNc1cc(C)ccc1C(=O)[O-]	ZINC000069791773	373768129	/nfs/dbraw/zinc/76/81/29/373768129.db2.gz	DAOKZRFJTAIUHN-UHFFFAOYSA-N	-1	0	203.241	2.128	10	30		BEEERM
N#Cc1c([O-])ccc(F)c1Br	ZINC000259978483	384067965	/nfs/dbraw/zinc/06/79/65/384067965.db2.gz	XKUBZNKJSBQGGB-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
CC(=O)c1cc(Br)cc(C#N)c1[O-]	ZINC000098179434	384501144	/nfs/dbraw/zinc/50/11/44/384501144.db2.gz	GDWHACSPUNMCKG-UHFFFAOYSA-N	-1	0	240.056	2.229	10	30		BEEERM
O=C(/C(Cl)=N\[O-])c1ccc(F)cc1	ZINC000100075911	384614956	/nfs/dbraw/zinc/61/49/56/384614956.db2.gz	BZNWBVXDWXMBBN-DHZHZOJOSA-N	-1	0	201.584	2.035	10	30		BEEERM
O=C([O-])CCON=C1C2CC3CC(C2)CC1C3	ZINC000029218413	385038725	/nfs/dbraw/zinc/03/87/25/385038725.db2.gz	ROVLNPWQKKNQBH-UHFFFAOYSA-N	-1	0	237.299	2.290	10	30		BEEERM
CCc1cc(C#N)cc(CC#N)c1[S-]	ZINC000575647190	385241174	/nfs/dbraw/zinc/24/11/74/385241174.db2.gz	PPZSGZRTHHJXEE-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
COC(=O)c1cc(C#N)cc(C(F)(F)F)c1[O-]	ZINC000260334276	385832852	/nfs/dbraw/zinc/83/28/52/385832852.db2.gz	XNCGWPHIELDSCM-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
N#Cc1cc(F)c(F)c(Br)c1[O-]	ZINC000260981045	385999107	/nfs/dbraw/zinc/99/91/07/385999107.db2.gz	WCWZSTYALPUHGA-UHFFFAOYSA-N	-1	0	233.999	2.305	10	30		BEEERM
N#CCc1ccc(F)c(Br)c1[O-]	ZINC000260990717	386001129	/nfs/dbraw/zinc/00/11/29/386001129.db2.gz	YYXKEFBLPRDSLS-UHFFFAOYSA-N	-1	0	230.036	2.360	10	30		BEEERM
N#Cc1cc(CC(=O)[O-])c(C(F)(F)F)cc1F	ZINC000575345153	386709131	/nfs/dbraw/zinc/70/91/31/386709131.db2.gz	YQMJYZILHXZZMU-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
COc1cc(C(F)F)c(CC(=O)[O-])cc1C#N	ZINC000575343544	386691060	/nfs/dbraw/zinc/69/10/60/386691060.db2.gz	GWQRCAZOEYIXGB-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1C(F)F	ZINC000575344255	386691259	/nfs/dbraw/zinc/69/12/59/386691259.db2.gz	YUUQMLQUWYMQGM-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
COc1cc(CC(=O)[O-])c(C(F)F)cc1C#N	ZINC000575343643	386692167	/nfs/dbraw/zinc/69/21/67/386692167.db2.gz	UQZJCTYQDLILEK-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1cc(Cl)cc(/C=C/C(=O)[O-])c1	ZINC000306921669	386708473	/nfs/dbraw/zinc/70/84/73/386708473.db2.gz	RIOGNSNZNIAVSM-OWOJBTEDSA-N	-1	0	207.616	2.309	10	30		BEEERM
CCc1cc(C(=O)[O-])cc(C#N)c1OC(F)F	ZINC000575385474	386945765	/nfs/dbraw/zinc/94/57/65/386945765.db2.gz	TZVGJJRTGJSKGM-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
Cc1cc(OC(F)F)c(C#N)cc1CC(=O)[O-]	ZINC000575387779	386955845	/nfs/dbraw/zinc/95/58/45/386955845.db2.gz	KBFIFQIIDVRIAV-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1cc(OC(F)(F)F)cc(F)c1C(=O)[O-]	ZINC000575390453	386958146	/nfs/dbraw/zinc/95/81/46/386958146.db2.gz	MVVKDPOXBOWNNU-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
N#Cc1c(F)c(CC(=O)[O-])ccc1C(F)(F)F	ZINC000575390352	386958498	/nfs/dbraw/zinc/95/84/98/386958498.db2.gz	CNMULCUQKGOVKZ-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
CCOC(=O)c1cc(C#N)cc([O-])c1C(F)F	ZINC000575388061	386958546	/nfs/dbraw/zinc/95/85/46/386958546.db2.gz	TXVRRMRHGXIVJB-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
N#Cc1cc(C(=O)[O-])cc(C=O)c1C(F)(F)F	ZINC000575391006	386960837	/nfs/dbraw/zinc/96/08/37/386960837.db2.gz	NWRWMFCPALXZJG-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
COC(=O)c1cc(C#N)cc([O-])c1C(F)(F)F	ZINC000575391592	386962571	/nfs/dbraw/zinc/96/25/71/386962571.db2.gz	BFPJRTHATKTARW-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
COC(=O)c1ccc([O-])c(C#N)c1C(F)(F)F	ZINC000575392381	386963200	/nfs/dbraw/zinc/96/32/00/386963200.db2.gz	XBTNDKVEHAIPNT-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
COc1ccc(C#N)c(C(=O)[O-])c1C(F)(F)F	ZINC000575394450	386991570	/nfs/dbraw/zinc/99/15/70/386991570.db2.gz	LFFCFIXUYWBQLO-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
Cc1cc(C(=O)[O-])c(OC(F)(F)F)cc1C#N	ZINC000575394981	386996291	/nfs/dbraw/zinc/99/62/91/386996291.db2.gz	QTMIVPBHYVIZCP-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1ccc(C(=O)[O-])c(C#N)c1OC(F)(F)F	ZINC000575395114	386997215	/nfs/dbraw/zinc/99/72/15/386997215.db2.gz	YIPOISINCGTHED-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1cc(OC(F)(F)F)cc(C#N)c1C(=O)[O-]	ZINC000575394600	386998804	/nfs/dbraw/zinc/99/88/04/386998804.db2.gz	MNUIJYONZJFKOK-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
CC[C@H](C)[C@@H](C#N)c1nc(C(=O)[O-])cs1	ZINC000150335990	387158035	/nfs/dbraw/zinc/15/80/35/387158035.db2.gz	GKFXGKIBVFDKBP-NKWVEPMBSA-N	-1	0	224.285	2.495	10	30		BEEERM
N#Cc1c(C(F)F)cc([O-])cc1[N+](=O)[O-]	ZINC000575667517	387321413	/nfs/dbraw/zinc/32/14/13/387321413.db2.gz	GDJPDOKXGLZVGR-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#Cc1cc([O-])c(C(F)F)cc1[N+](=O)[O-]	ZINC000575668938	387323389	/nfs/dbraw/zinc/32/33/89/387323389.db2.gz	QEXCHVHVMRKTFS-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#Cc1cc(C(F)F)cc([O-])c1[N+](=O)[O-]	ZINC000575669371	387328506	/nfs/dbraw/zinc/32/85/06/387328506.db2.gz	UGCXNJDITBNMGW-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
CCc1c(C#N)cc([S-])cc1CC#N	ZINC000575643955	387870818	/nfs/dbraw/zinc/87/08/18/387870818.db2.gz	DYZKYFZOVMVFTR-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
CCOc1cc(C#N)c([S-])cc1CC#N	ZINC000575644687	387876401	/nfs/dbraw/zinc/87/64/01/387876401.db2.gz	DLTPPTIUJZLULC-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
CCOc1cc(CC#N)c([S-])cc1C#N	ZINC000575649191	387886445	/nfs/dbraw/zinc/88/64/45/387886445.db2.gz	PZMDPIVJMNHTEA-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
Cc1ccc(C#N)c(OC(F)F)c1CC(=O)[O-]	ZINC000575387149	388460491	/nfs/dbraw/zinc/46/04/91/388460491.db2.gz	BCUQQIZPROGHNU-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1c(=O)[nH][n-]c1-c1ccccc1Cl	ZINC000041166503	388432093	/nfs/dbraw/zinc/43/20/93/388432093.db2.gz	SHEKNZLHFIVLKJ-UHFFFAOYSA-N	-1	0	219.631	2.307	10	30		BEEERM
CC1(C(=O)[O-])CCN(c2ccc(C#N)cc2)CC1	ZINC000062843748	132388504	/nfs/dbraw/zinc/38/85/04/132388504.db2.gz	CGQKUCSPYKGPMH-UHFFFAOYSA-N	-1	0	244.294	2.249	10	30		BEEERM
C#CCN[C@@](CC)(C(=O)[O-])c1ccc(CC)cc1	ZINC000041731339	166190096	/nfs/dbraw/zinc/19/00/96/166190096.db2.gz	NAQGXXVMHQJYBT-OAHLLOKOSA-N	-1	0	245.322	2.162	10	30		BEEERM
CC(C)Oc1ccc(C#N)cc1C(=O)[O-]	ZINC000098180597	167290532	/nfs/dbraw/zinc/29/05/32/167290532.db2.gz	QEFGGEYGXSUDBC-UHFFFAOYSA-N	-1	0	205.213	2.044	10	30		BEEERM
CC[C@H](C#N)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000033507026	171220934	/nfs/dbraw/zinc/22/09/34/171220934.db2.gz	GGVUDMNCNFJLTF-SSDOTTSWSA-N	-1	0	206.201	2.318	10	30		BEEERM
CCc1nc([C@H](C)S)sc1C(=O)[O-]	ZINC000083349090	172007416	/nfs/dbraw/zinc/00/74/16/172007416.db2.gz	UVXUYSWYTSPLJG-BYPYZUCNSA-N	-1	0	217.315	2.395	10	30		BEEERM
CCc1nn(CCC#N)c2sc(C(=O)[O-])cc12	ZINC000036667471	172045202	/nfs/dbraw/zinc/04/52/02/172045202.db2.gz	FIQWZBRTWBJGDA-UHFFFAOYSA-N	-1	0	249.295	2.272	10	30		BEEERM
COc1ccc(C(=O)[O-])cc1OCCCCC#N	ZINC000049578631	175064484	/nfs/dbraw/zinc/06/44/84/175064484.db2.gz	FAAUESOMLFWUDC-UHFFFAOYSA-N	-1	0	249.266	2.466	10	30		BEEERM
COc1ccc(Cl)cc1[C@H](C#N)C(=O)[O-]	ZINC000049820255	175122685	/nfs/dbraw/zinc/12/26/85/175122685.db2.gz	MSHVZQVQVQNUHG-QMMMGPOBSA-N	-1	0	225.631	2.040	10	30		BEEERM
Cc1ccc(/C=C\C(=O)CCC(=O)[O-])cc1	ZINC000033290910	534247903	/nfs/dbraw/zinc/24/79/03/534247903.db2.gz	NEAWYNDZYLARBH-SREVYHEPSA-N	-1	0	218.252	2.442	10	30		BEEERM
Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C#N	ZINC000725255045	582759304	/nfs/dbraw/zinc/75/93/04/582759304.db2.gz	PFEUWBUICTUPLP-UHFFFAOYSA-N	-1	0	227.267	2.375	10	30		BEEERM
N#Cc1ccccc1[C@]12C[C@H](CC1)[C@H]2C(=O)[O-]	ZINC000757547630	586459633	/nfs/dbraw/zinc/45/96/33/586459633.db2.gz	XBKQEIMGEMXTAN-DUFXMDAXSA-N	-1	0	227.263	2.311	10	30		BEEERM
CC(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519400	635862855	/nfs/dbraw/zinc/86/28/55/635862855.db2.gz	AFAUUAYAORFFIJ-UHFFFAOYSA-N	-1	0	241.312	2.129	10	30		BEEERM
C#CC[C@@H](C)Nc1cc(C(=O)[O-])cc(Cl)n1	ZINC000228976527	640908774	/nfs/dbraw/zinc/90/87/74/640908774.db2.gz	WIIHHXVTEZTXNH-SSDOTTSWSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#CC(C)(C)Nc1ccc(Cl)c(C(=O)[O-])n1	ZINC000069682862	642894894	/nfs/dbraw/zinc/89/48/94/642894894.db2.gz	HRDLKNRBCNKMRO-UHFFFAOYSA-N	-1	0	238.674	2.257	10	30		BEEERM
C=C1CN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1	ZINC000688993742	976198881	/nfs/dbraw/zinc/19/88/81/976198881.db2.gz	XUHKYEUOPHCWGV-UHFFFAOYSA-N	-1	0	246.266	2.097	10	30		BEEERM
N#CC1(COc2cccc(C(=O)[O-])c2)CC1	ZINC000691551754	976366842	/nfs/dbraw/zinc/36/68/42/976366842.db2.gz	CGLLFLTWBWELFE-UHFFFAOYSA-N	-1	0	217.224	2.067	10	30		BEEERM
C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@](C)(C#N)C1	ZINC000694562010	976699356	/nfs/dbraw/zinc/69/93/56/976699356.db2.gz	YXVIFDRYPMIXLN-RNCFNFMXSA-N	-1	0	248.282	2.274	10	30		BEEERM
C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](C#N)C1	ZINC000694587028	976700882	/nfs/dbraw/zinc/70/08/82/976700882.db2.gz	RMEBQKNOYRUJSP-VHSXEESVSA-N	-1	0	248.282	2.274	10	30		BEEERM
Cc1oc(C(=O)[O-])cc1CN1CCC(C#N)CC1	ZINC000694608781	976702539	/nfs/dbraw/zinc/70/25/39/976702539.db2.gz	LLUGDTKNZPSYEL-UHFFFAOYSA-N	-1	0	248.282	2.022	10	30		BEEERM
N#Cc1ccc(N[C@H]2CC=C(C(=O)[O-])C2)cc1	ZINC000694984541	976763764	/nfs/dbraw/zinc/76/37/64/976763764.db2.gz	IAWPKOARUGIUDH-LBPRGKRZSA-N	-1	0	228.251	2.144	10	30		BEEERM
N#Cc1ccc(N[C@@H]2CC=C(C(=O)[O-])C2)cc1	ZINC000694984536	976764104	/nfs/dbraw/zinc/76/41/04/976764104.db2.gz	IAWPKOARUGIUDH-GFCCVEGCSA-N	-1	0	228.251	2.144	10	30		BEEERM
Cc1ccnc(NCC(C)(C)CC(=O)[O-])c1C#N	ZINC000720868145	978071022	/nfs/dbraw/zinc/07/10/22/978071022.db2.gz	NLBQYDWWMIAAHE-UHFFFAOYSA-N	-1	0	247.298	2.175	10	30		BEEERM
Cc1ccc(C#N)c(NCC(C)(C)CC(=O)[O-])n1	ZINC000720868069	978071560	/nfs/dbraw/zinc/07/15/60/978071560.db2.gz	LSDIGJKGISILBI-UHFFFAOYSA-N	-1	0	247.298	2.175	10	30		BEEERM
O=C([O-])C#Cc1ccc(Br)c(F)c1	ZINC000070835805	361780191	/nfs/dbraw/zinc/78/01/91/361780191.db2.gz	GIDILCOHECXFLY-UHFFFAOYSA-N	-1	0	243.031	2.024	10	30		BEEERM
C[C@@H](C#CC(=O)[O-])Oc1cccc(Cl)c1	ZINC000070835686	361780276	/nfs/dbraw/zinc/78/02/76/361780276.db2.gz	RWOVKCJBRGPXKE-QMMMGPOBSA-N	-1	0	224.643	2.195	10	30		BEEERM
Cc1cc2[n-]cc(C#N)c(=O)c2cc1[N+](=O)[O-]	ZINC000090568245	178303052	/nfs/dbraw/zinc/30/30/52/178303052.db2.gz	ANPQAXMHISBUIF-UHFFFAOYSA-N	-1	0	229.195	2.029	10	30		BEEERM
C=CCNc1nc(Cl)ccc1C(=O)[O-]	ZINC000071025896	361931587	/nfs/dbraw/zinc/93/15/87/361931587.db2.gz	ZOFRHAXCMAPJGO-UHFFFAOYSA-N	-1	0	212.636	2.031	10	30		BEEERM
CCCCCCCc1nc(C(=O)[O-])no1	ZINC000109313177	539027786	/nfs/dbraw/zinc/02/77/86/539027786.db2.gz	ZZEFGYIYPLMGJT-UHFFFAOYSA-N	-1	0	212.249	2.281	10	30		BEEERM
O=[N+]([O-])c1cccc(/C=N/[O-])c1Cl	ZINC000016697544	342914472	/nfs/dbraw/zinc/91/44/72/342914472.db2.gz	QYDRUMLZLJQLPX-RUDMXATFSA-N	-1	0	200.581	2.056	10	30		BEEERM
Cc1cc(O[C@H](C)C#N)c(C(=O)[O-])s1	ZINC000069976604	343945674	/nfs/dbraw/zinc/94/56/74/343945674.db2.gz	SGOYVECNVVNSTL-RXMQYKEDSA-N	-1	0	211.242	2.046	10	30		BEEERM
N#Cc1c(Cl)ccc(Cl)c1CC(=O)[O-]	ZINC000306605440	344304196	/nfs/dbraw/zinc/30/41/96/344304196.db2.gz	PTPXBPFNLCACHJ-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
N#Cc1c(Cl)c(Cl)ccc1CC(=O)[O-]	ZINC000306739699	344421493	/nfs/dbraw/zinc/42/14/93/344421493.db2.gz	AZEJPXDXVLKZOI-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
N#Cc1c(C(=O)[O-])cc(C=O)cc1C(F)F	ZINC000396144859	344618311	/nfs/dbraw/zinc/61/83/11/344618311.db2.gz	FJZFGEIIQMXCNH-UHFFFAOYSA-N	-1	0	225.150	2.007	10	30		BEEERM
N#Cc1c(C=O)cc(C(=O)[O-])cc1C(F)F	ZINC000396146566	344620208	/nfs/dbraw/zinc/62/02/08/344620208.db2.gz	JZMJVBZFNGERBX-UHFFFAOYSA-N	-1	0	225.150	2.007	10	30		BEEERM
CCc1cc(C#N)c(CC(=O)[O-])c(CC)c1	ZINC000396149380	344622845	/nfs/dbraw/zinc/62/28/45/344622845.db2.gz	IQHIRNSXZPCQAU-UHFFFAOYSA-N	-1	0	217.268	2.310	10	30		BEEERM
Cc1cc(C#N)c(C(F)F)cc1CC(=O)[O-]	ZINC000396155284	344626800	/nfs/dbraw/zinc/62/68/00/344626800.db2.gz	QCFRPXAXTQNHTN-UHFFFAOYSA-N	-1	0	225.194	2.431	10	30		BEEERM
Cc1cc(C(F)F)cc(C#N)c1CC(=O)[O-]	ZINC000396155919	344627685	/nfs/dbraw/zinc/62/76/85/344627685.db2.gz	RFEKLONUPKASCB-UHFFFAOYSA-N	-1	0	225.194	2.431	10	30		BEEERM
CCc1cc(CC(=O)[O-])c(C#N)cc1Cl	ZINC000396159933	344632899	/nfs/dbraw/zinc/63/28/99/344632899.db2.gz	MRKBNMFYNWPRIB-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
CCc1cc(Cl)c(CC(=O)[O-])c(C#N)c1	ZINC000396160738	344633319	/nfs/dbraw/zinc/63/33/19/344633319.db2.gz	OBBBMVRLDKPLIG-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
COc1ccc(C(=O)[O-])c(C#N)c1C(F)F	ZINC000396165110	344635922	/nfs/dbraw/zinc/63/59/22/344635922.db2.gz	SIRGJONINVNBTR-UHFFFAOYSA-N	-1	0	227.166	2.203	10	30		BEEERM
Cc1cc(C#N)c(C(=O)[O-])cc1OC(F)(F)F	ZINC000514272162	344910589	/nfs/dbraw/zinc/91/05/89/344910589.db2.gz	JJRYPKXBRXMICF-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
N#Cc1c(F)ccc(OC(F)(F)F)c1C(=O)[O-]	ZINC000514271834	344910718	/nfs/dbraw/zinc/91/07/18/344910718.db2.gz	DCTTYNUDHAXTRG-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
Cc1cc(CC(=O)[O-])c(C#N)cc1OC(F)F	ZINC000514275035	344911131	/nfs/dbraw/zinc/91/11/31/344911131.db2.gz	OOIVZEGPFQLMRX-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
Cc1cc(CC(=O)[O-])c(C#N)c(OC(F)F)c1	ZINC000514274914	344911299	/nfs/dbraw/zinc/91/12/99/344911299.db2.gz	BHBWDBSBMDJKLC-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
COc1cc(C#N)c(C(F)F)cc1CC(=O)[O-]	ZINC000514274868	344911403	/nfs/dbraw/zinc/91/14/03/344911403.db2.gz	WFUJRYVMEWRELI-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
C=C[C@H](C)NC(=O)c1ccccc1[S-]	ZINC000235522177	344931811	/nfs/dbraw/zinc/93/18/11/344931811.db2.gz	DFPJUCGOPPUVSC-QMMMGPOBSA-N	-1	0	207.298	2.280	10	30		BEEERM
C[C@@H](C#N)Oc1ccc(Cl)c(C(=O)[O-])c1	ZINC000235575957	344947791	/nfs/dbraw/zinc/94/77/91/344947791.db2.gz	YWPZZADFHIAGRA-LURJTMIESA-N	-1	0	225.631	2.329	10	30		BEEERM
CCc1c(C#N)ccc(C(=O)[O-])c1Cl	ZINC000307144620	345032126	/nfs/dbraw/zinc/03/21/26/345032126.db2.gz	FZAZHZDSFLAACQ-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
C=C(C)[C@@H](Nc1ccccc1C)C(=O)[O-]	ZINC000158896610	345378247	/nfs/dbraw/zinc/37/82/47/345378247.db2.gz	PFXZGQINBIWSDW-LLVKDONJSA-N	-1	0	205.257	2.436	10	30		BEEERM
C=C(CC(=O)[O-])c1cc(OC)ccc1OC	ZINC000221611821	345864489	/nfs/dbraw/zinc/86/44/89/345864489.db2.gz	HXMLNAURMHBBTI-UHFFFAOYSA-N	-1	0	222.240	2.192	10	30		BEEERM
CC(C#N)=C([O-])c1ccc(Br)o1	ZINC000036935068	347963899	/nfs/dbraw/zinc/96/38/99/347963899.db2.gz	OETIANAWVCXOSW-YFKPBYRVSA-N	-1	0	228.045	2.384	10	30		BEEERM
CC#CCOc1ccc(Cl)cc1C(=O)[O-]	ZINC000051662210	350020935	/nfs/dbraw/zinc/02/09/35/350020935.db2.gz	XQQSBGFGBBYTHL-UHFFFAOYSA-N	-1	0	224.643	2.440	10	30		BEEERM
Cc1nc2ccc(C#CC(=O)[O-])cc2s1	ZINC000045238171	180089767	/nfs/dbraw/zinc/08/97/67/180089767.db2.gz	RXEZVCPHEHRNID-UHFFFAOYSA-N	-1	0	217.249	2.041	10	30		BEEERM
CC(=NNc1cccc(Cl)c1)C(=O)[O-]	ZINC000075622190	187443297	/nfs/dbraw/zinc/44/32/97/187443297.db2.gz	KRTPYWWIYOBIAG-IZZDOVSWSA-N	-1	0	212.636	2.212	10	30		BEEERM
C=C(F)C1(CC(=O)[O-])CCSCC1	ZINC000725260456	538082465	/nfs/dbraw/zinc/08/24/65/538082465.db2.gz	SGZUHDLDOWMRPG-UHFFFAOYSA-N	-1	0	204.266	2.458	10	30		BEEERM
N#Cc1cccc([C@@H]2CCCN2C(=O)[O-])c1	ZINC000616607079	350800337	/nfs/dbraw/zinc/80/03/37/350800337.db2.gz	JFDOVTOGJXCPMJ-NSHDSACASA-N	-1	0	216.240	2.373	10	30		BEEERM
CC(C)(C)c1nc(CC#N)sc1C(=O)[O-]	ZINC000306736296	350907512	/nfs/dbraw/zinc/90/75/12/350907512.db2.gz	XIGNKZNYIKTFMZ-UHFFFAOYSA-N	-1	0	224.285	2.205	10	30		BEEERM
N#Cc1ccc(F)c([O-])c1Br	ZINC000306712595	350874179	/nfs/dbraw/zinc/87/41/79/350874179.db2.gz	ZKJRQLZSYWKRCY-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
N#Cc1ccc(/C=C/C(=O)[O-])c(Cl)c1	ZINC000218198527	351374991	/nfs/dbraw/zinc/37/49/91/351374991.db2.gz	JBNJPYLFXYPLGE-ONEGZZNKSA-N	-1	0	207.616	2.309	10	30		BEEERM
N#Cc1ccc(Br)c([O-])c1F	ZINC000307111109	351484676	/nfs/dbraw/zinc/48/46/76/351484676.db2.gz	OHMMYSCGOXCYOL-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
C=CCc1ccccc1OCCC(=O)[O-]	ZINC000011883903	187538101	/nfs/dbraw/zinc/53/81/01/187538101.db2.gz	MXVCAMWKKRKDNK-UHFFFAOYSA-N	-1	0	206.241	2.269	10	30		BEEERM
C[C@@H]1CC(C)(C)CCC1=NOCC(=O)[O-]	ZINC000252119099	363123536	/nfs/dbraw/zinc/12/35/36/363123536.db2.gz	KOVWRUMAVAVOHM-MRVPVSSYSA-N	-1	0	213.277	2.290	10	30		BEEERM
Cc1c(C#N)cc(Cl)cc1CC(=O)[O-]	ZINC000307463923	352613001	/nfs/dbraw/zinc/61/30/01/352613001.db2.gz	CHHRSXZTXNZESO-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
COC(=O)c1c(Cl)ccc(C#N)c1[S-]	ZINC000307392045	352569177	/nfs/dbraw/zinc/56/91/77/352569177.db2.gz	XTHCXDJPNDZGTC-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
C/C(=C\CN/N=C(\C)C(=O)[O-])c1ccccc1	ZINC000029220439	187764707	/nfs/dbraw/zinc/76/47/07/187764707.db2.gz	GBICOXAPNWYSMS-WSZGUFMCSA-N	-1	0	232.283	2.140	10	30		BEEERM
COC(=O)c1cc(Cl)cc([S-])c1C#N	ZINC000307553565	352648129	/nfs/dbraw/zinc/64/81/29/352648129.db2.gz	VVYWWVMOHZYIPE-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
C=CCc1ccccc1N[C@@H](C)C(=O)[O-]	ZINC000039259879	188110360	/nfs/dbraw/zinc/11/03/60/188110360.db2.gz	BVBFJRGOBVQUQB-VIFPVBQESA-N	-1	0	205.257	2.300	10	30		BEEERM
CC#CCOc1ccc(C(=O)[O-])cc1C	ZINC000232375437	353714713	/nfs/dbraw/zinc/71/47/13/353714713.db2.gz	QUBUCAFSRLMLNU-UHFFFAOYSA-N	-1	0	204.225	2.095	10	30		BEEERM
C[C@H]1CC(=NOCC(=O)[O-])CC(C)(C)C1	ZINC000252459570	363265954	/nfs/dbraw/zinc/26/59/54/363265954.db2.gz	MZDXWUMXFDFJRC-QMMMGPOBSA-N	-1	0	213.277	2.290	10	30		BEEERM
N#CC1([N-]C(=O)C(F)(F)F)CCCCCC1	ZINC000040357242	181029443	/nfs/dbraw/zinc/02/94/43/181029443.db2.gz	PPNKSFJKOVDCSO-UHFFFAOYSA-N	-1	0	234.221	2.281	10	30		BEEERM
N#Cc1ccccc1-c1cc(C(=O)[O-])ccn1	ZINC000067796504	181144353	/nfs/dbraw/zinc/14/43/53/181144353.db2.gz	DWPZVNSNFAFAFM-UHFFFAOYSA-N	-1	0	224.219	2.318	10	30		BEEERM
N#Cc1ccccc1N(CC(=O)[O-])C1CCCC1	ZINC000037593076	181146743	/nfs/dbraw/zinc/14/67/43/181146743.db2.gz	FNQQPXAQNUQVSD-UHFFFAOYSA-N	-1	0	244.294	2.392	10	30		BEEERM
N#Cc1ccccc1Oc1cncc(C(=O)[O-])c1	ZINC000104412740	181150030	/nfs/dbraw/zinc/15/00/30/181150030.db2.gz	JJEUELZJEHZBQT-UHFFFAOYSA-N	-1	0	240.218	2.444	10	30		BEEERM
C=C(C)C[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000675079603	538517324	/nfs/dbraw/zinc/51/73/24/538517324.db2.gz	VAXRXISPSSWTIB-VIFPVBQESA-N	-1	0	243.303	2.321	10	30		BEEERM
CC(C)C[C@@H](CNc1cccnc1C#N)C(=O)[O-]	ZINC000129789362	356796695	/nfs/dbraw/zinc/79/66/95/356796695.db2.gz	QCPTZCSXCRJBGK-JTQLQIEISA-N	-1	0	247.298	2.112	10	30		BEEERM
CCC(/C=C/[C@](C)(O)C1(C#N)CCC1)=C/C(=O)[O-]	ZINC000584623878	358291657	/nfs/dbraw/zinc/29/16/57/358291657.db2.gz	APTMQYFILOSHBK-VMKCXTLNSA-N	-1	0	249.310	2.408	10	30		BEEERM
CCC(/C=C/[C@@](C)(O)C1(C#N)CCC1)=C/C(=O)[O-]	ZINC000584623877	358291810	/nfs/dbraw/zinc/29/18/10/358291810.db2.gz	APTMQYFILOSHBK-IWTOIUSZSA-N	-1	0	249.310	2.408	10	30		BEEERM
CCOC(=O)C1=C([O-])[C@@H](C)c2ccccc2C1=O	ZINC000584626754	358296262	/nfs/dbraw/zinc/29/62/62/358296262.db2.gz	GAIUGUGRXMPMKO-QMMMGPOBSA-N	-1	0	246.262	2.205	10	30		BEEERM
[O-]/N=C(\Cl)c1nnc(-c2ccccc2)o1	ZINC000584650906	358305803	/nfs/dbraw/zinc/30/58/03/358305803.db2.gz	FWZXLDINXZYGFS-QPEQYQDCSA-N	-1	0	223.619	2.111	10	30		BEEERM
C=C(Cn1ccc2ccccc21)C(=O)[O-]	ZINC000069907318	361002894	/nfs/dbraw/zinc/00/28/94/361002894.db2.gz	UAMIVTHNFQNRLE-UHFFFAOYSA-N	-1	0	201.225	2.282	10	30		BEEERM
Cc1cc(C#N)ccc1SCC(=O)[O-]	ZINC000037732559	364563527	/nfs/dbraw/zinc/56/35/27/364563527.db2.gz	GUCAIRTZJCEXRQ-UHFFFAOYSA-N	-1	0	207.254	2.043	10	30		BEEERM
O=C([O-])C(=C(F)F)[C@](F)(CF)C(F)(F)F	ZINC000113341326	368412101	/nfs/dbraw/zinc/41/21/01/368412101.db2.gz	GHBYYJOGTOJADA-RXMQYKEDSA-N	-1	0	240.074	2.462	10	30		BEEERM
O=C([O-])C(=C(F)F)[C@@](F)(CF)C(F)(F)F	ZINC000113341324	368411150	/nfs/dbraw/zinc/41/11/50/368411150.db2.gz	GHBYYJOGTOJADA-YFKPBYRVSA-N	-1	0	240.074	2.462	10	30		BEEERM
C=C[C@H](O)CCCCCCCC(=O)[O-]	ZINC000014512618	368863165	/nfs/dbraw/zinc/86/31/65/368863165.db2.gz	CJUFNYIRKDOQMC-JTQLQIEISA-N	-1	0	200.278	2.349	10	30	endogenous,in-man	BEEERM
N#Cc1cc(Cl)c(Cl)c(CC(=O)[O-])c1	ZINC000306875405	372075262	/nfs/dbraw/zinc/07/52/62/372075262.db2.gz	FUGSBGLBSAAZFZ-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
Cc1cc(Cl)c(CC(=O)[O-])c(C#N)c1	ZINC000307442815	372120903	/nfs/dbraw/zinc/12/09/03/372120903.db2.gz	ATBIFBSVOHMWTG-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
C#CCCNc1cc(Cl)ccc1C(=O)[O-]	ZINC000069791775	373767497	/nfs/dbraw/zinc/76/74/97/373767497.db2.gz	SEHZYDHSHYVWLM-UHFFFAOYSA-N	-1	0	223.659	2.473	10	30		BEEERM
CCCOc1ccc(/C=C/C(=O)C(=O)[O-])cc1	ZINC000062168338	169316635	/nfs/dbraw/zinc/31/66/35/169316635.db2.gz	JTLBQPQJJHSIOD-VMPITWQZSA-N	-1	0	234.251	2.142	10	30		BEEERM
CCc1cc(CC#N)c(C#N)cc1[S-]	ZINC000575648869	383930099	/nfs/dbraw/zinc/93/00/99/383930099.db2.gz	ZBFWFOBOPDCPKN-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
CCC(=NNc1n[nH]c(=S)[nH]1)c1ccccc1	ZINC000005913959	384136620	/nfs/dbraw/zinc/13/66/20/384136620.db2.gz	YKBMFNDTBFAGFI-LCYFTJDESA-N	-1	0	247.327	2.320	10	30		BEEERM
N#Cc1c(F)ccc([O-])c1Br	ZINC000259869051	385679868	/nfs/dbraw/zinc/67/98/68/385679868.db2.gz	CQSZNUPBGSBVCX-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
N#Cc1cc([O-])c(Br)c(F)c1	ZINC000260235935	385796384	/nfs/dbraw/zinc/79/63/84/385796384.db2.gz	VENBTTOEWPVDAK-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
C[C@@H](Nc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000052903109	386348206	/nfs/dbraw/zinc/34/82/06/386348206.db2.gz	BIBJZARDKLGJIF-ZCFIWIBFSA-N	-1	0	224.647	2.097	10	30		BEEERM
COc1cc(CC(=O)[O-])cc(C#N)c1C(F)F	ZINC000575343587	386691803	/nfs/dbraw/zinc/69/18/03/386691803.db2.gz	LVPFQSNKGVGUFL-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
Cc1ccc(C#N)c(Br)c1C(=O)[O-]	ZINC000306921647	386708351	/nfs/dbraw/zinc/70/83/51/386708351.db2.gz	RDNQTIITNPLMRQ-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
[O-]/N=C\c1cccc(OC(F)(F)F)c1	ZINC000100479402	386763259	/nfs/dbraw/zinc/76/32/59/386763259.db2.gz	WTEIBXWRMZEGIK-XGICHPGQSA-N	-1	0	205.135	2.393	10	30		BEEERM
CCc1cc(OC(F)F)cc(C(=O)[O-])c1C#N	ZINC000575385251	386942724	/nfs/dbraw/zinc/94/27/24/386942724.db2.gz	GOKUDZHMDGQUPW-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
N#Cc1c(F)c(C(F)(F)F)ccc1CC(=O)[O-]	ZINC000575390476	386960501	/nfs/dbraw/zinc/96/05/01/386960501.db2.gz	OUMALNBRWJQTRK-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
COc1c(C#N)c(C(=O)[O-])ccc1C(F)(F)F	ZINC000575394449	386991642	/nfs/dbraw/zinc/99/16/42/386991642.db2.gz	LBPWJJPUKRNIKO-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
COc1cc(C(F)(F)F)c(C#N)cc1C(=O)[O-]	ZINC000575394002	386992661	/nfs/dbraw/zinc/99/26/61/386992661.db2.gz	CNMBDCFMQJFPAY-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
Cc1cc(OC(F)(F)F)c(C#N)c(C(=O)[O-])c1	ZINC000575395065	386997142	/nfs/dbraw/zinc/99/71/42/386997142.db2.gz	XDDOBPOVMXXVKP-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1c(CC(=O)[O-])ccc(OC(F)F)c1C#N	ZINC000575388227	386950905	/nfs/dbraw/zinc/95/09/05/386950905.db2.gz	OZPWIUGWOAXPAL-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1ccc(F)c(C(=O)[O-])c1OC(F)(F)F	ZINC000575390387	386950944	/nfs/dbraw/zinc/95/09/44/386950944.db2.gz	HNUTXKSMXURDBK-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
Cc1ccc(C#N)c(CC(=O)[O-])c1OC(F)F	ZINC000575388274	386951910	/nfs/dbraw/zinc/95/19/10/386951910.db2.gz	RBUANPRJEOKVNU-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1c(F)cc([O-])cc1OC(F)F	ZINC000575658827	387045849	/nfs/dbraw/zinc/04/58/49/387045849.db2.gz	IZZSWBXCXXRZTO-UHFFFAOYSA-N	-1	0	203.119	2.004	10	30		BEEERM
C=CCN(CCCC(=O)[O-])C(=O)OC(C)(C)C	ZINC000575448121	387745042	/nfs/dbraw/zinc/74/50/42/387745042.db2.gz	ATXLMFFLOMZBPB-UHFFFAOYSA-N	-1	0	243.303	2.274	10	30		BEEERM
CCOc1cc(C#N)c(CC#N)cc1[S-]	ZINC000575644538	387872179	/nfs/dbraw/zinc/87/21/79/387872179.db2.gz	GTGAFCNNJPRJFG-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
N#Cc1cc(C(F)(F)F)cc(C(=O)[O-])c1C=O	ZINC000575390982	388581195	/nfs/dbraw/zinc/58/11/95/388581195.db2.gz	MSYITQWKQDPSNT-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
C#CCNc1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000054528418	166194006	/nfs/dbraw/zinc/19/40/06/166194006.db2.gz	AUYXSOOIJJYZGZ-UHFFFAOYSA-N	-1	0	243.184	2.449	10	30		BEEERM
C/C(=C/C(=O)[O-])C(=O)c1ccc(C)cc1	ZINC000029402754	166231257	/nfs/dbraw/zinc/23/12/57/166231257.db2.gz	VZFVXTWVQSQHOW-CLFYSBASSA-N	-1	0	204.225	2.209	10	30		BEEERM
C=C[C@H](C(=O)[O-])N(C)Cc1ccc(C)s1	ZINC000652409334	411230943	/nfs/dbraw/zinc/23/09/43/411230943.db2.gz	LNDIJJAQHMYHLC-SNVBAGLBSA-N	-1	0	225.313	2.128	10	30		BEEERM
CC1C(=O)c2ccccc2C(=O)C1=CCC(=O)[O-]	ZINC000013861894	168087108	/nfs/dbraw/zinc/08/71/08/168087108.db2.gz	XDYLYDATVANZFF-UHFFFAOYSA-N	-1	0	244.246	2.247	10	30		BEEERM
CC[C@@H](C#N)Oc1ccccc1C(=O)[O-]	ZINC000044427795	170660034	/nfs/dbraw/zinc/66/00/34/170660034.db2.gz	NGDLTCHBKBRRDQ-QMMMGPOBSA-N	-1	0	205.213	2.066	10	30		BEEERM
CC[C@H](C(=O)[O-])n1c(CC#N)nc2ccccc21	ZINC000104336315	171238594	/nfs/dbraw/zinc/23/85/94/171238594.db2.gz	LUCWLKDDFNISRY-SNVBAGLBSA-N	-1	0	243.266	2.138	10	30		BEEERM
CC[C@H](Nc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000062790387	171550491	/nfs/dbraw/zinc/55/04/91/171550491.db2.gz	NUKTYPDVGTZFCN-VIFPVBQESA-N	-1	0	238.674	2.487	10	30		BEEERM
COc1cc2[n-]cc(C#N)c(=O)c2cc1C	ZINC000095835483	175028439	/nfs/dbraw/zinc/02/84/39/175028439.db2.gz	QFLTXDSBFLDJDT-UHFFFAOYSA-N	-1	0	214.224	2.129	10	30		BEEERM
COc1ccc(C)cc1-c1ccc(C#N)c(=O)[n-]1	ZINC000043395162	175071526	/nfs/dbraw/zinc/07/15/26/175071526.db2.gz	WINVBGBMAZNXFT-UHFFFAOYSA-N	-1	0	240.262	2.231	10	30		BEEERM
C[C@H](Oc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000021965008	177022260	/nfs/dbraw/zinc/02/22/60/177022260.db2.gz	OTGVUZRXVOWPBY-LURJTMIESA-N	-1	0	225.631	2.064	10	30		BEEERM
N#Cc1ccc(Cl)c2cc(C(=O)[O-])[nH]c21	ZINC000536959217	323971062	/nfs/dbraw/zinc/97/10/62/323971062.db2.gz	MKDXLKQJBAXRAH-UHFFFAOYSA-N	-1	0	220.615	2.391	10	30		BEEERM
C=C[C@H](SCc1occc1C)C(=O)[O-]	ZINC000757163620	582544965	/nfs/dbraw/zinc/54/49/65/582544965.db2.gz	DEWKTJRVKODMLS-VIFPVBQESA-N	-1	0	212.270	2.460	10	30		BEEERM
CCCCCCCC(=O)Nc1nc(OC)n[nH]1	ZINC000126838315	590465158	/nfs/dbraw/zinc/46/51/58/590465158.db2.gz	GKGQXDBALUKWFU-UHFFFAOYSA-N	-1	0	240.307	2.112	10	30		BEEERM
C#C[C@H](C)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000166866706	640682933	/nfs/dbraw/zinc/68/29/33/640682933.db2.gz	HJWQLUMYNRZFJZ-VIFPVBQESA-N	-1	0	203.241	2.127	10	30		BEEERM
C#CC[C@H](CC)Nc1ccc(C(=O)[O-])o1	ZINC000228975607	640908491	/nfs/dbraw/zinc/90/84/91/640908491.db2.gz	BAXVBEFPZVSCRS-QMMMGPOBSA-N	-1	0	207.229	2.192	10	30		BEEERM
C#CC[C@@H](CC)Nc1ccc(C(=O)[O-])o1	ZINC000228975617	640908646	/nfs/dbraw/zinc/90/86/46/640908646.db2.gz	BAXVBEFPZVSCRS-MRVPVSSYSA-N	-1	0	207.229	2.192	10	30		BEEERM
C#CC[C@@H](C)Nc1c(F)cccc1C(=O)[O-]	ZINC000228977169	640908751	/nfs/dbraw/zinc/90/87/51/640908751.db2.gz	HMHIRSLPPJPEIO-MRVPVSSYSA-N	-1	0	221.231	2.348	10	30		BEEERM
C#CC[C@H](C)Nc1cc(C(=O)[O-])cc(Cl)n1	ZINC000228976518	640908756	/nfs/dbraw/zinc/90/87/56/640908756.db2.gz	WIIHHXVTEZTXNH-ZETCQYMHSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#CCSCCNc1ccccc1C(=O)[O-]	ZINC000231952065	641218918	/nfs/dbraw/zinc/21/89/18/641218918.db2.gz	MKINOJQBQQFOEU-UHFFFAOYSA-N	-1	0	235.308	2.163	10	30		BEEERM
C#CC(C)(C)Nc1nc(Cl)ccc1C(=O)[O-]	ZINC000069682867	642893973	/nfs/dbraw/zinc/89/39/73/642893973.db2.gz	MCLGEAVMHLHVHT-UHFFFAOYSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#CC(C)(C)Nc1c(F)cccc1C(=O)[O-]	ZINC000069682849	642894919	/nfs/dbraw/zinc/89/49/19/642894919.db2.gz	CWKCNVRWDSZMFR-UHFFFAOYSA-N	-1	0	221.231	2.348	10	30		BEEERM
C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](C#N)C1	ZINC000694587027	976700848	/nfs/dbraw/zinc/70/08/48/976700848.db2.gz	RMEBQKNOYRUJSP-UWVGGRQHSA-N	-1	0	248.282	2.274	10	30		BEEERM
C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](C#N)C1	ZINC000694587026	976700891	/nfs/dbraw/zinc/70/08/91/976700891.db2.gz	RMEBQKNOYRUJSP-NXEZZACHSA-N	-1	0	248.282	2.274	10	30		BEEERM
C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](C#N)C1	ZINC000694587029	976700914	/nfs/dbraw/zinc/70/09/14/976700914.db2.gz	RMEBQKNOYRUJSP-ZJUUUORDSA-N	-1	0	248.282	2.274	10	30		BEEERM
Cc1cc(CN2CCC(C#N)CC2)oc1C(=O)[O-]	ZINC000694609849	976702178	/nfs/dbraw/zinc/70/21/78/976702178.db2.gz	QAVJNNZDYZPAHO-UHFFFAOYSA-N	-1	0	248.282	2.022	10	30		BEEERM
N#Cc1ccc(N[C@H]2CC=C(C(=O)[O-])C2)c(F)c1	ZINC000694981094	976763026	/nfs/dbraw/zinc/76/30/26/976763026.db2.gz	SWSXZVFZFNGVBK-JTQLQIEISA-N	-1	0	246.241	2.283	10	30		BEEERM
C[C@H](CC(=O)[O-])S[C@@H](C)CCC#N	ZINC000695809081	976804556	/nfs/dbraw/zinc/80/45/56/976804556.db2.gz	KGZFZBAWUYUNRN-JGVFFNPUSA-N	-1	0	201.291	2.275	10	30		BEEERM
Cc1cc(C[C@@H](S)C(=O)[O-])c(C)s1	ZINC000049685560	178055208	/nfs/dbraw/zinc/05/52/08/178055208.db2.gz	JJXIMFWIHNYGLW-MRVPVSSYSA-N	-1	0	216.327	2.290	10	30		BEEERM
Cc1cc(F)c2[n-]cc(C#N)c(=O)c2c1	ZINC000019431741	178075692	/nfs/dbraw/zinc/07/56/92/178075692.db2.gz	CINUWYPYBRULEB-UHFFFAOYSA-N	-1	0	202.188	2.260	10	30		BEEERM
O=C([O-])C#Cc1cc2ccccc2s1	ZINC000070836039	361781463	/nfs/dbraw/zinc/78/14/63/361781463.db2.gz	MLIDDIPMKUELLK-UHFFFAOYSA-N	-1	0	202.234	2.337	10	30		BEEERM
O=C([O-])C#Cc1ccc(Br)cc1F	ZINC000070835772	361781659	/nfs/dbraw/zinc/78/16/59/361781659.db2.gz	RFLLEBJDPCEFSW-UHFFFAOYSA-N	-1	0	243.031	2.024	10	30		BEEERM
O=C([O-])C#Cc1c(Cl)cccc1Cl	ZINC000070835812	361779690	/nfs/dbraw/zinc/77/96/90/361779690.db2.gz	ZEWIXNAZIYWKOK-UHFFFAOYSA-N	-1	0	215.035	2.430	10	30		BEEERM
Cc1ccc(C#N)c(N(CC(=O)[O-])C(C)C)c1	ZINC000051578287	178362828	/nfs/dbraw/zinc/36/28/28/178362828.db2.gz	CYADXDKWMZZMNR-UHFFFAOYSA-N	-1	0	232.283	2.166	10	30		BEEERM
Cc1ccc(C#N)c(N[C@@H](C)CC(=O)[O-])c1	ZINC000051578186	178364234	/nfs/dbraw/zinc/36/42/34/178364234.db2.gz	IIWDBIJEPCJNJF-VIFPVBQESA-N	-1	0	218.256	2.142	10	30		BEEERM
COC(=O)c1cc(C#N)c(Cl)cc1[S-]	ZINC000306650742	361853337	/nfs/dbraw/zinc/85/33/37/361853337.db2.gz	HNLSAJMGIHEPBI-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
CC[C@@H](C#N)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000033507024	343256102	/nfs/dbraw/zinc/25/61/02/343256102.db2.gz	GGVUDMNCNFJLTF-ZETCQYMHSA-N	-1	0	206.201	2.318	10	30		BEEERM
N#Cc1c2ncccc2c(=O)[n-]c1-c1ccccc1	ZINC000165303722	343553850	/nfs/dbraw/zinc/55/38/50/343553850.db2.gz	WJUJWZZFKVNKLN-UHFFFAOYSA-N	-1	0	247.257	2.462	10	30		BEEERM
COc1ccc(C(=O)[O-])c(C#N)c1C(F)(F)F	ZINC000514272527	343651458	/nfs/dbraw/zinc/65/14/58/343651458.db2.gz	HSMNVFBHUIYMBT-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
O=C([O-])C#C[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000127161356	343861779	/nfs/dbraw/zinc/86/17/79/343861779.db2.gz	RHMXYIWLWRUQKY-JGVFFNPUSA-N	-1	0	220.190	2.443	10	30		BEEERM
Cc1c(Br)ccc(C(=O)[O-])c1C#N	ZINC000306600022	344287632	/nfs/dbraw/zinc/28/76/32/344287632.db2.gz	IHWCIUOWMHHWSL-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
N#CC(C#N)=C([O-])c1ccc(Cl)c(F)c1	ZINC000236173118	344307839	/nfs/dbraw/zinc/30/78/39/344307839.db2.gz	JCAIIPYRDIZJIH-UHFFFAOYSA-N	-1	0	222.606	2.325	10	30		BEEERM
N#Cc1ccc(Cn2cccc2C(=O)[O-])cc1	ZINC000084888455	344481689	/nfs/dbraw/zinc/48/16/89/344481689.db2.gz	CVWLIOQCZXSAFP-UHFFFAOYSA-N	-1	0	226.235	2.106	10	30		BEEERM
N#Cc1c(CC(=O)[O-])cccc1C(F)(F)F	ZINC000396124964	344609551	/nfs/dbraw/zinc/60/95/51/344609551.db2.gz	FPHOXPSWVJPDPM-UHFFFAOYSA-N	-1	0	229.157	2.204	10	30		BEEERM
N#Cc1cc(F)c(C(F)(F)F)cc1C(=O)[O-]	ZINC000396145235	344618676	/nfs/dbraw/zinc/61/86/76/344618676.db2.gz	RYXLZJDOHKUMNB-UHFFFAOYSA-N	-1	0	233.120	2.414	10	30		BEEERM
CCc1cc(C#N)c(C(=O)[O-])c(CC)c1	ZINC000396147590	344621019	/nfs/dbraw/zinc/62/10/19/344621019.db2.gz	FRPQLWPWKUSCKS-UHFFFAOYSA-N	-1	0	203.241	2.381	10	30		BEEERM
N#Cc1cc(F)c(C(=O)[O-])cc1C(F)(F)F	ZINC000396155834	344627354	/nfs/dbraw/zinc/62/73/54/344627354.db2.gz	GPMUOQATNGPTOP-UHFFFAOYSA-N	-1	0	233.120	2.414	10	30		BEEERM
Cc1cc(CC(=O)[O-])c(C(F)F)cc1C#N	ZINC000396161149	344633801	/nfs/dbraw/zinc/63/38/01/344633801.db2.gz	YOQZXOAGPVKYNM-UHFFFAOYSA-N	-1	0	225.194	2.431	10	30		BEEERM
CCc1cc(CC(=O)[O-])cc(CC)c1C#N	ZINC000396161152	344633880	/nfs/dbraw/zinc/63/38/80/344633880.db2.gz	YPANJFHEJUZMBR-UHFFFAOYSA-N	-1	0	217.268	2.310	10	30		BEEERM
CCc1cc(Cl)c(C#N)cc1CC(=O)[O-]	ZINC000396166334	344636484	/nfs/dbraw/zinc/63/64/84/344636484.db2.gz	WBTGCFDTHQEERE-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
CCc1cc(C#N)c(C)cc1CC(=O)[O-]	ZINC000396167974	344637321	/nfs/dbraw/zinc/63/73/21/344637321.db2.gz	WSQSMQWVIJRDSY-UHFFFAOYSA-N	-1	0	203.241	2.056	10	30		BEEERM
O=C(/C(=N/[O-])c1ccc(F)cc1)c1ccncc1	ZINC000115343999	344707780	/nfs/dbraw/zinc/70/77/80/344707780.db2.gz	CEOAQNUWZZZBMR-FOWTUZBSSA-N	-1	0	244.225	2.282	10	30		BEEERM
C#C[C@@H](C)Oc1ccc(C(=O)[O-])cc1Cl	ZINC000235264353	344863974	/nfs/dbraw/zinc/86/39/74/344863974.db2.gz	ZWDBGXMHSHSADV-SSDOTTSWSA-N	-1	0	224.643	2.439	10	30		BEEERM
N#Cc1c(C=O)ccc(C(F)(F)F)c1C(=O)[O-]	ZINC000514271579	344910430	/nfs/dbraw/zinc/91/04/30/344910430.db2.gz	KLXSVYJITGQYSI-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1c(C=O)c(C(F)(F)F)ccc1C(=O)[O-]	ZINC000514272337	344910453	/nfs/dbraw/zinc/91/04/53/344910453.db2.gz	JHOFRGWRORDQCD-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1cc(C(F)(F)F)c(C=O)cc1C(=O)[O-]	ZINC000514272100	344910468	/nfs/dbraw/zinc/91/04/68/344910468.db2.gz	XUQZXVJEBXXFDS-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1c(C(=O)[O-])c(C(F)F)ccc1[N+](=O)[O-]	ZINC000514271560	344910761	/nfs/dbraw/zinc/91/07/61/344910761.db2.gz	DNNCGXZVEKYXJE-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1c(F)cc(CC(=O)[O-])cc1C(F)(F)F	ZINC000514274660	344911073	/nfs/dbraw/zinc/91/10/73/344911073.db2.gz	BSFMVPRURBTPFS-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
COc1cc(CC(=O)[O-])c(C#N)c(C(F)F)c1	ZINC000514275738	344911874	/nfs/dbraw/zinc/91/18/74/344911874.db2.gz	OIPNEJQBBCAALY-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
CCc1ccc(Cl)c(C#N)c1C(=O)[O-]	ZINC000307145567	345032966	/nfs/dbraw/zinc/03/29/66/345032966.db2.gz	GPSGUCIYJCJLBR-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
O=CC=C([O-])c1c(F)cccc1Cl	ZINC000306281830	537911547	/nfs/dbraw/zinc/91/15/47/537911547.db2.gz	YBGFSSADIMJVAY-UHFFFAOYSA-N	-1	0	200.596	2.251	10	30		BEEERM
O=CC1=C([O-])c2ccc(Br)cc2C1	ZINC000118825729	537929363	/nfs/dbraw/zinc/92/93/63/537929363.db2.gz	FCGFTUYFILLJDJ-SSDOTTSWSA-N	-1	0	239.068	2.003	10	30		BEEERM
O=C([O-])C#Cc1ccc(F)c(Br)c1	ZINC000236421325	346239610	/nfs/dbraw/zinc/23/96/10/346239610.db2.gz	YKZPPMIFCNAZEE-UHFFFAOYSA-N	-1	0	243.031	2.024	10	30		BEEERM
Cc1cccc(Nc2s[n-]c(=O)c2C#N)c1	ZINC000040565363	179160883	/nfs/dbraw/zinc/16/08/83/179160883.db2.gz	FSBMVYLVOOCGAK-UHFFFAOYSA-N	-1	0	231.280	2.360	10	30		BEEERM
N#Cc1ccc(C2CCN(C(=O)[O-])CC2)cc1	ZINC000150142498	349339831	/nfs/dbraw/zinc/33/98/31/349339831.db2.gz	LZLCXYOGDPVOBO-UHFFFAOYSA-N	-1	0	230.267	2.416	10	30		BEEERM
C=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000039203619	350113597	/nfs/dbraw/zinc/11/35/97/350113597.db2.gz	JITOHJHWLTXNCU-UHFFFAOYSA-N	-1	0	239.296	2.216	10	30		BEEERM
Cc1nc2ccc(/C=N\[O-])c(O)c2s1	ZINC000045237643	180086539	/nfs/dbraw/zinc/08/65/39/180086539.db2.gz	HXICICZJTABJCQ-WMZJFQQLSA-N	-1	0	208.242	2.118	10	30		BEEERM
N#Cc1ccc([C@@H]2CCCN2C(=O)[O-])cc1	ZINC000616607845	350802214	/nfs/dbraw/zinc/80/22/14/350802214.db2.gz	RSRJDTBAYQVDBY-NSHDSACASA-N	-1	0	216.240	2.373	10	30		BEEERM
Cc1cc(C#N)c(CC(=O)[O-])cc1Cl	ZINC000307030119	351431466	/nfs/dbraw/zinc/43/14/66/351431466.db2.gz	PHRKVOCWVWWDKM-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
CCc1c(Cl)cc(C#N)cc1C(=O)[O-]	ZINC000307108150	351483051	/nfs/dbraw/zinc/48/30/51/351483051.db2.gz	ISJXIPZPIQGEOZ-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
Cc1cccc(COC2CC(C#N)(C(=O)[O-])C2)c1	ZINC000606302458	351555741	/nfs/dbraw/zinc/55/57/41/351555741.db2.gz	MFVNWSVYYRMAOT-UHFFFAOYSA-N	-1	0	245.278	2.269	10	30		BEEERM
COC(=O)c1cc([S-])cc(Cl)c1C#N	ZINC000307243564	351747873	/nfs/dbraw/zinc/74/78/73/351747873.db2.gz	SZFOOJWHTAEYKG-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
Cc1ccc(Cl)c(CC(=O)[O-])c1C#N	ZINC000307262881	351807726	/nfs/dbraw/zinc/80/77/26/351807726.db2.gz	ADMVYERTEWEZKY-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
C#Cc1cc(=S)[n-]c(C(F)(F)F)n1	ZINC000307286512	351852787	/nfs/dbraw/zinc/85/27/87/351852787.db2.gz	RBHXGOCDHVJNPB-UHFFFAOYSA-N	-1	0	204.176	2.139	10	30		BEEERM
CCc1c(Cl)c(C#N)ccc1C(=O)[O-]	ZINC000307337993	352056437	/nfs/dbraw/zinc/05/64/37/352056437.db2.gz	QAKLIZJAQFQLGW-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
C[C@H]1CC(C)(C)CCC1=NOCC(=O)[O-]	ZINC000252119101	363123881	/nfs/dbraw/zinc/12/38/81/363123881.db2.gz	KOVWRUMAVAVOHM-QMMMGPOBSA-N	-1	0	213.277	2.290	10	30		BEEERM
C=C[C@@H](C)Nc1ccc(Cl)c(C(=O)[O-])n1	ZINC000229236373	352666135	/nfs/dbraw/zinc/66/61/35/352666135.db2.gz	ZLKVVTNBSDVRPW-ZCFIWIBFSA-N	-1	0	226.663	2.420	10	30		BEEERM
N#Cc1ccc(NC=CC(=O)[O-])cc1Cl	ZINC000232448027	352668440	/nfs/dbraw/zinc/66/84/40/352668440.db2.gz	PBMUITGIDHPQGM-ONEGZZNKSA-N	-1	0	222.631	2.222	10	30		BEEERM
C=C(C)CNc1nccc(C(=O)[O-])c1Cl	ZINC000232465245	352718069	/nfs/dbraw/zinc/71/80/69/352718069.db2.gz	SVCHYYRCLLEHJN-UHFFFAOYSA-N	-1	0	226.663	2.421	10	30		BEEERM
N#Cc1cc(Cl)c(Cl)cc1CC(=O)[O-]	ZINC000307639369	352725022	/nfs/dbraw/zinc/72/50/22/352725022.db2.gz	ZYIUQBRTJKLFOD-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
C#CCCSc1nc(C)c(CC(=O)[O-])s1	ZINC000019812791	188172976	/nfs/dbraw/zinc/17/29/76/188172976.db2.gz	ARMNKZSEUJHCKM-UHFFFAOYSA-N	-1	0	241.337	2.194	10	30		BEEERM
N#CCCN([C@H](C(=O)[O-])c1ccccc1)C1CC1	ZINC000042547073	181037021	/nfs/dbraw/zinc/03/70/21/181037021.db2.gz	IPXONMFRUJWXDU-ZDUSSCGKSA-N	-1	0	244.294	2.190	10	30		BEEERM
N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1O	ZINC000061891170	181070029	/nfs/dbraw/zinc/07/00/29/181070029.db2.gz	PMRZGBVDLBZINX-ZYHUDNBSSA-N	-1	0	216.284	2.174	10	30		BEEERM
C=C[C@@H](Nc1ccccc1Cl)C(=O)[O-]	ZINC000301021967	363333277	/nfs/dbraw/zinc/33/32/77/363333277.db2.gz	KPUOJNXGQIGPCC-MRVPVSSYSA-N	-1	0	211.648	2.391	10	30		BEEERM
N#Cc1cc(C(=O)[O-])n(CCc2ccccc2)c1	ZINC000039409442	181085158	/nfs/dbraw/zinc/08/51/58/181085158.db2.gz	KRBHNLFMZDOLGK-UHFFFAOYSA-N	-1	0	240.262	2.301	10	30		BEEERM
N#Cc1ccc(-c2ccc(F)cc2F)[n-]c1=O	ZINC000038478110	181094929	/nfs/dbraw/zinc/09/49/29/181094929.db2.gz	ALZPGFAJECVJEQ-UHFFFAOYSA-N	-1	0	232.189	2.192	10	30		BEEERM
N#Cc1ccc(-c2cnc(CCC(=O)[O-])o2)cc1	ZINC000019394308	181095830	/nfs/dbraw/zinc/09/58/30/181095830.db2.gz	HETHPVRLMWEAQX-UHFFFAOYSA-N	-1	0	242.234	2.230	10	30		BEEERM
N#Cc1ccc(F)c(-c2ccc(C(=O)[O-])cn2)c1	ZINC000065347690	181112499	/nfs/dbraw/zinc/11/24/99/181112499.db2.gz	XXAKRLZNMFCDJX-UHFFFAOYSA-N	-1	0	242.209	2.458	10	30		BEEERM
N#Cc1ccc(N(CCC(=O)[O-])C2CC2)c(F)c1	ZINC000037592695	181113857	/nfs/dbraw/zinc/11/38/57/181113857.db2.gz	KKVKFQBIUIWCME-UHFFFAOYSA-N	-1	0	248.257	2.141	10	30		BEEERM
N#Cc1cccc2sc(C(=O)[O-])cc21	ZINC000098181552	181144249	/nfs/dbraw/zinc/14/42/49/181144249.db2.gz	VBBNNPMFELXELE-UHFFFAOYSA-N	-1	0	203.222	2.471	10	30		BEEERM
N#Cc1ccccc1Nc1ccc(C(=O)[O-])cn1	ZINC000019845034	181149366	/nfs/dbraw/zinc/14/93/66/181149366.db2.gz	ZDKVLPUALIWHDR-UHFFFAOYSA-N	-1	0	239.234	2.395	10	30		BEEERM
N#Cc1ccccc1Oc1cc(C(=O)[O-])ccn1	ZINC000019813018	181149942	/nfs/dbraw/zinc/14/99/42/181149942.db2.gz	VALUFACBOAAWOZ-UHFFFAOYSA-N	-1	0	240.218	2.444	10	30		BEEERM
C=C[C@@H](C)Nc1cc(C(=O)[O-])c(Cl)cn1	ZINC000166481364	355529990	/nfs/dbraw/zinc/52/99/90/355529990.db2.gz	BJNPKYDNCFLUDX-ZCFIWIBFSA-N	-1	0	226.663	2.420	10	30		BEEERM
C=CCc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000034431108	356702430	/nfs/dbraw/zinc/70/24/30/356702430.db2.gz	RGVJIVBMBXDHMD-UHFFFAOYSA-N	-1	0	207.185	2.022	10	30		BEEERM
CCN(CCC#N)c1ccc(F)cc1C(=O)[O-]	ZINC000042450839	169816557	/nfs/dbraw/zinc/81/65/57/169816557.db2.gz	LXSRYBDFNUWRES-UHFFFAOYSA-N	-1	0	236.246	2.264	10	30		BEEERM
C#CC[C@@H](C)Nc1ccccc1C(=O)[O-]	ZINC000228976421	372099551	/nfs/dbraw/zinc/09/95/51/372099551.db2.gz	HWEYFWSXCQXMAK-SECBINFHSA-N	-1	0	203.241	2.209	10	30		BEEERM
O=C([O-])/C=C/C(=O)c1cccc(Cl)c1	ZINC000000022272	182410972	/nfs/dbraw/zinc/41/09/72/182410972.db2.gz	CAGNWJGEYYHSDK-SNAWJCMRSA-N	-1	0	210.616	2.164	10	30		BEEERM
O=C([O-])Cc1ccc(C2=CC(=O)CCC2)cc1	ZINC000000001617	383817838	/nfs/dbraw/zinc/81/78/38/383817838.db2.gz	SRJYOCXLFRUMBY-UHFFFAOYSA-N	-1	0	230.263	2.450	10	30	in-man	BEEERM
Cc1[n-][nH]c(=O)c1N=Nc1cc(C)cc(C)c1	ZINC000005818175	384133547	/nfs/dbraw/zinc/13/35/47/384133547.db2.gz	XWIKWAHKFLFUHG-UHFFFAOYSA-N	-1	0	230.271	2.417	10	30		BEEERM
O=C(/C=N\[O-])Nc1ccc(Cl)cc1Cl	ZINC000100468022	384642997	/nfs/dbraw/zinc/64/29/97/384642997.db2.gz	SMAMVCPTXWEWAE-WCIBSUBMSA-N	-1	0	233.054	2.392	10	30		BEEERM
C=C(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000164432712	384736642	/nfs/dbraw/zinc/73/66/42/384736642.db2.gz	XIWUKCHYUNMNFR-SECBINFHSA-N	-1	0	243.303	2.321	10	30		BEEERM
CC1(C)C=C(C(=O)[O-])C(=O)c2ccccc21	ZINC000026838510	384893822	/nfs/dbraw/zinc/89/38/22/384893822.db2.gz	CVZSXWSEUDDNMJ-UHFFFAOYSA-N	-1	0	216.236	2.172	10	30		BEEERM
O=C([O-])C(=O)/C=C/c1cccc(Cl)c1	ZINC000057939121	384971798	/nfs/dbraw/zinc/97/17/98/384971798.db2.gz	URMPXNZXEYPVBN-SNAWJCMRSA-N	-1	0	210.616	2.007	10	30		BEEERM
N#Cc1c[n-]c2c(F)ccc(F)c2c1=O	ZINC000019434693	386194759	/nfs/dbraw/zinc/19/47/59/386194759.db2.gz	KKGNDVLQENGPSP-UHFFFAOYSA-N	-1	0	206.151	2.090	10	30		BEEERM
N#Cc1c(C(F)(F)F)ccc(F)c1CC(=O)[O-]	ZINC000575345056	386711491	/nfs/dbraw/zinc/71/14/91/386711491.db2.gz	SOFPNNVHSWLZII-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
COc1ccc(CC(=O)[O-])c(C(F)F)c1C#N	ZINC000575343562	386691190	/nfs/dbraw/zinc/69/11/90/386691190.db2.gz	JKFKVPPAVBIKOS-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1cc(C(F)F)cc([N+](=O)[O-])c1C(=O)[O-]	ZINC000575344179	386691932	/nfs/dbraw/zinc/69/19/32/386691932.db2.gz	TVHKIXHGKRJGEY-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1ccc(C(F)(F)F)c(CC(=O)[O-])c1F	ZINC000575345078	386711880	/nfs/dbraw/zinc/71/18/80/386711880.db2.gz	VKYGJVFGPNHWIH-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
CCc1ccc(C#N)c(OC(F)F)c1C(=O)[O-]	ZINC000575385496	386945492	/nfs/dbraw/zinc/94/54/92/386945492.db2.gz	VCSBSJKRDIXBJK-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
CCc1cc(C#N)c(C(=O)[O-])cc1OC(F)F	ZINC000575385539	386945703	/nfs/dbraw/zinc/94/57/03/386945703.db2.gz	YTFMYQSDGPQEER-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
CCOC(=O)c1cc([O-])c(C(F)F)cc1C#N	ZINC000575387753	386955855	/nfs/dbraw/zinc/95/58/55/386955855.db2.gz	NKFOVKZVYPLOTI-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
Cc1ccc(CC(=O)[O-])c(OC(F)F)c1C#N	ZINC000575387856	386957043	/nfs/dbraw/zinc/95/70/43/386957043.db2.gz	MPYMCCIXMALPCI-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1c(F)c(OC(F)(F)F)ccc1C(=O)[O-]	ZINC000575390454	386958161	/nfs/dbraw/zinc/95/81/61/386958161.db2.gz	MXWVBGUVIDYSAU-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
COC(=O)c1ccc(C(F)(F)F)c([O-])c1C#N	ZINC000575392050	386964879	/nfs/dbraw/zinc/96/48/79/386964879.db2.gz	NETLNBLNUOZNTK-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
Cc1ccc(C#N)c(OC(F)(F)F)c1C(=O)[O-]	ZINC000575394595	386997871	/nfs/dbraw/zinc/99/78/71/386997871.db2.gz	MHWDOEYTBXBJIQ-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
N#Cc1c(F)ccc(C(=O)[O-])c1OC(F)(F)F	ZINC000575390376	386951014	/nfs/dbraw/zinc/95/10/14/386951014.db2.gz	GCQBLGKQWKISHF-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
Cc1cc(C#N)cc(CC(=O)[O-])c1OC(F)F	ZINC000575388276	386951109	/nfs/dbraw/zinc/95/11/09/386951109.db2.gz	RGSDRVCBXMSZNN-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1cc([O-])c(F)c(OC(F)F)c1	ZINC000575658068	387045495	/nfs/dbraw/zinc/04/54/95/387045495.db2.gz	AQMSMDXKTVYXNM-UHFFFAOYSA-N	-1	0	203.119	2.004	10	30		BEEERM
N#Cc1cc(C(F)F)c([N+](=O)[O-])cc1[O-]	ZINC000575667920	387323669	/nfs/dbraw/zinc/32/36/69/387323669.db2.gz	HNXKNSQQIVNTEQ-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#Cc1c([O-])cc(C(F)F)cc1[N+](=O)[O-]	ZINC000575669493	387328975	/nfs/dbraw/zinc/32/89/75/387328975.db2.gz	YBPKYLRGCUTCOX-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
O=C(/C=C/Cl)c1ccc(F)cc1[O-]	ZINC000575517263	387429865	/nfs/dbraw/zinc/42/98/65/387429865.db2.gz	KHSAGOISBDZGDN-ONEGZZNKSA-N	-1	0	200.596	2.467	10	30		BEEERM
N#CCc1cc([O-])c(C(F)F)cc1C#N	ZINC000575642848	387864684	/nfs/dbraw/zinc/86/46/84/387864684.db2.gz	KAXZHVUXRAMMQY-UHFFFAOYSA-N	-1	0	208.167	2.268	10	30		BEEERM
CCc1cc(C#N)c([S-])cc1CC#N	ZINC000575644442	387872579	/nfs/dbraw/zinc/87/25/79/387872579.db2.gz	GMFHKZVJQZARFO-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
N#Cc1c[n-]c2c(cccc2C(F)(F)F)c1=O	ZINC000095937887	388791120	/nfs/dbraw/zinc/79/11/20/388791120.db2.gz	XRRBITMWQMOERT-UHFFFAOYSA-N	-1	0	238.168	2.419	10	30		BEEERM
N#Cc1ccc(F)c(CC(=O)[O-])c1C(F)(F)F	ZINC000575345043	388844684	/nfs/dbraw/zinc/84/46/84/388844684.db2.gz	RGHPPGHBTBAXEA-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
C=CCC[C@H](NC(=O)C[C@@H](C)C(C)C)C(=O)[O-]	ZINC000262951220	135324895	/nfs/dbraw/zinc/32/48/95/135324895.db2.gz	QRPHTZCUKCQUNG-MNOVXSKESA-N	-1	0	241.331	2.204	10	30		BEEERM
N#Cc1c(Br)c(F)ccc1C(=O)[O-]	ZINC000307159135	397990813	/nfs/dbraw/zinc/99/08/13/397990813.db2.gz	IYSAJJFEXJSCMP-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
COc1cc(C#N)ccc1O[C@@H](C(=O)[O-])C(C)C	ZINC000019410229	174943704	/nfs/dbraw/zinc/94/37/04/174943704.db2.gz	FBFNPFRWMYCCSB-GFCCVEGCSA-N	-1	0	249.266	2.055	10	30		BEEERM
C#CCOc1ccc(C(=O)[O-])cc1Cl	ZINC000015014288	262712719	/nfs/dbraw/zinc/71/27/19/262712719.db2.gz	PSRVHQKCNIDHOW-UHFFFAOYSA-N	-1	0	210.616	2.050	10	30		BEEERM
C#CCC1(Nc2nc(C(=O)[O-])cs2)CCC1	ZINC000757176054	582552482	/nfs/dbraw/zinc/55/24/82/582552482.db2.gz	WLBOPHMAVSQZJM-UHFFFAOYSA-N	-1	0	236.296	2.199	10	30		BEEERM
CC[C@H](C(=O)[O-])c1cc(F)cc(C#N)c1	ZINC000085634024	633883391	/nfs/dbraw/zinc/88/33/91/633883391.db2.gz	YUOYLWDQPUIZFX-JTQLQIEISA-N	-1	0	207.204	2.276	10	30		BEEERM
C#CC[C@@H](C)Nc1ccc(Cl)c(C(=O)[O-])n1	ZINC000228976231	640908679	/nfs/dbraw/zinc/90/86/79/640908679.db2.gz	PRCCFCXQYBKAQD-SSDOTTSWSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#C[C@H](C)Nc1cc(C)ccc1C(=O)[O-]	ZINC000158970820	641660287	/nfs/dbraw/zinc/66/02/87/641660287.db2.gz	SQIQQSZJMUEAJO-VIFPVBQESA-N	-1	0	203.241	2.127	10	30		BEEERM
Cc1cc(OCC2(C#N)CC2)ccc1C(=O)[O-]	ZINC000691555099	976368286	/nfs/dbraw/zinc/36/82/86/976368286.db2.gz	VIZZQJGQWSWDKQ-UHFFFAOYSA-N	-1	0	231.251	2.376	10	30		BEEERM
C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@](C)(C#N)C1	ZINC000694562011	976699047	/nfs/dbraw/zinc/69/90/47/976699047.db2.gz	YXVIFDRYPMIXLN-TVQRCGJNSA-N	-1	0	248.282	2.274	10	30		BEEERM
C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@](C)(C#N)C1	ZINC000694562012	976699258	/nfs/dbraw/zinc/69/92/58/976699258.db2.gz	YXVIFDRYPMIXLN-ZANVPECISA-N	-1	0	248.282	2.274	10	30		BEEERM
Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](C#N)C1	ZINC000703632821	977171878	/nfs/dbraw/zinc/17/18/78/977171878.db2.gz	FBJIPVCXPIOENP-SNVBAGLBSA-N	-1	0	248.282	2.022	10	30		BEEERM
N#Cc1cc([O-])c(Br)cc1F	ZINC000306815681	398206437	/nfs/dbraw/zinc/20/64/37/398206437.db2.gz	BPFSHCRYMGQKTB-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
O=C([O-])C#CCc1cccc(Br)c1	ZINC000070836042	361781667	/nfs/dbraw/zinc/78/16/67/361781667.db2.gz	YHGKFZSWRUQEHL-UHFFFAOYSA-N	-1	0	239.068	2.080	10	30		BEEERM
O=C([O-])C#Cc1cc(Br)ccc1F	ZINC000070835957	361779934	/nfs/dbraw/zinc/77/99/34/361779934.db2.gz	FWQZVODUTSFPFZ-UHFFFAOYSA-N	-1	0	243.031	2.024	10	30		BEEERM
O=C([O-])C#Cc1ccc(F)cc1Br	ZINC000070835543	361780307	/nfs/dbraw/zinc/78/03/07/361780307.db2.gz	BFLQPZCAUMAGKM-UHFFFAOYSA-N	-1	0	243.031	2.024	10	30		BEEERM
Cc1cc2c(cc1OC(C)C)[n-]cc(C#N)c2=O	ZINC000095937893	178276494	/nfs/dbraw/zinc/27/64/94/178276494.db2.gz	GGVBVOUOMDEVJN-UHFFFAOYSA-N	-1	0	242.278	2.495	10	30		BEEERM
Cc1ccc(C#N)c(SCCC(=O)[O-])c1	ZINC000051578511	178366468	/nfs/dbraw/zinc/36/64/68/178366468.db2.gz	YIJVJRRXKMNYQU-UHFFFAOYSA-N	-1	0	221.281	2.434	10	30		BEEERM
N#Cc1cccc(Cl)c1/C=C/C(=O)[O-]	ZINC000306161103	344014150	/nfs/dbraw/zinc/01/41/50/344014150.db2.gz	GIDXAVDPOOCBLK-SNAWJCMRSA-N	-1	0	207.616	2.309	10	30		BEEERM
Cc1ccc(OC(F)F)c(C#N)c1CC(=O)[O-]	ZINC000514273283	343648233	/nfs/dbraw/zinc/64/82/33/343648233.db2.gz	OQDROKJZOZSRAA-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#CC=C([O-])N=Cc1c(O)ccc2ccccc21	ZINC000000260668	537819462	/nfs/dbraw/zinc/81/94/62/537819462.db2.gz	MVFARQRWWRHFKL-CXUHLZMHSA-N	-1	0	238.246	2.405	10	30		BEEERM
Cc1c(Cl)ccc(CC(=O)[O-])c1C#N	ZINC000306618234	344307456	/nfs/dbraw/zinc/30/74/56/344307456.db2.gz	SFUCKSJODJKDND-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
C[C@H](Oc1cc(Cl)cc(C#N)c1)C(=O)[O-]	ZINC000306731393	344422045	/nfs/dbraw/zinc/42/20/45/344422045.db2.gz	QSCANWOTSXZWSS-LURJTMIESA-N	-1	0	225.631	2.064	10	30		BEEERM
N#Cc1c(C(=O)[O-])cc(-c2ccco2)[nH]c1=S	ZINC000409442465	344466442	/nfs/dbraw/zinc/46/64/42/344466442.db2.gz	VLCPRAAPJJWUAT-UHFFFAOYSA-N	-1	0	246.247	2.200	10	30		BEEERM
N#Cc1cc(Cl)nc(Br)c1[O-]	ZINC000306893731	344473898	/nfs/dbraw/zinc/47/38/98/344473898.db2.gz	IQKNJLALYCJLSD-UHFFFAOYSA-N	-1	0	233.452	2.075	10	30		BEEERM
N#Cc1cc(OC(F)(F)F)ccc1C(=O)[O-]	ZINC000396085047	344597784	/nfs/dbraw/zinc/59/77/84/344597784.db2.gz	LVPADVPHFVSLGH-UHFFFAOYSA-N	-1	0	231.129	2.155	10	30		BEEERM
Cc1c(C#N)c(CC(=O)[O-])ccc1C(F)F	ZINC000396146563	344619950	/nfs/dbraw/zinc/61/99/50/344619950.db2.gz	DAPZEVZMSNEUIM-UHFFFAOYSA-N	-1	0	225.194	2.431	10	30		BEEERM
Cc1cc(OC(F)F)cc(C(=O)[O-])c1C#N	ZINC000396151141	344623651	/nfs/dbraw/zinc/62/36/51/344623651.db2.gz	BYZBWEXETCNFBZ-UHFFFAOYSA-N	-1	0	227.166	2.166	10	30		BEEERM
Cc1cc(C(=O)[O-])c(C#N)cc1OC(F)F	ZINC000396155503	344627368	/nfs/dbraw/zinc/62/73/68/344627368.db2.gz	HCLLQYGBKDPCTL-UHFFFAOYSA-N	-1	0	227.166	2.166	10	30		BEEERM
CCc1cc(CC)c(C#N)c(C(=O)[O-])c1	ZINC000396168678	344630417	/nfs/dbraw/zinc/63/04/17/344630417.db2.gz	XUHLKTNKSATGBW-UHFFFAOYSA-N	-1	0	203.241	2.381	10	30		BEEERM
N#Cc1c(C=O)cc(C(=O)[O-])cc1C(F)(F)F	ZINC000514271919	344910475	/nfs/dbraw/zinc/91/04/75/344910475.db2.gz	MCQPNFZSXNFBBK-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1cc([N+](=O)[O-])c(C(=O)[O-])cc1C(F)F	ZINC000514271896	344910566	/nfs/dbraw/zinc/91/05/66/344910566.db2.gz	HAVMMRBVWPRGIZ-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
CCc1cc(OC(F)F)c(C#N)c(C(=O)[O-])c1	ZINC000514272065	344910712	/nfs/dbraw/zinc/91/07/12/344910712.db2.gz	BLYDWEGKYUVNKS-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
Cc1ccc(CC(=O)[O-])c(C#N)c1OC(F)F	ZINC000514276119	344911749	/nfs/dbraw/zinc/91/17/49/344911749.db2.gz	CBGBMIOBQFZGMQ-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
CCc1cc(Cl)c(C#N)cc1C(=O)[O-]	ZINC000307167388	345100925	/nfs/dbraw/zinc/10/09/25/345100925.db2.gz	RLLVWSIHIWZRGU-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
COc1ccc(C(=O)/C(C)=N/[O-])c(C)c1	ZINC000149482213	346114921	/nfs/dbraw/zinc/11/49/21/346114921.db2.gz	FEHZSFVSDDAREN-XYOKQWHBSA-N	-1	0	207.229	2.036	10	30		BEEERM
N#Cc1cc(/C=C(\F)C(=O)[O-])ccc1F	ZINC000236421713	346239419	/nfs/dbraw/zinc/23/94/19/346239419.db2.gz	BHEJSLKBUFFQOE-WTKPLQERSA-N	-1	0	209.151	2.092	10	30		BEEERM
N#CCCSC(=S)[N-]Cc1ccco1	ZINC000199606802	347747902	/nfs/dbraw/zinc/74/79/02/347747902.db2.gz	VZJDTVRCSDTLTP-UHFFFAOYSA-N	-1	0	226.326	2.301	10	30		BEEERM
Cc1nc([C@H](C)S)sc1C(=O)[O-]	ZINC000083344024	180052928	/nfs/dbraw/zinc/05/29/28/180052928.db2.gz	MJQGQDNNRQEVGR-BYPYZUCNSA-N	-1	0	203.288	2.141	10	30		BEEERM
CCc1ccc(Cl)c(C(=O)[O-])c1C#N	ZINC000306856105	351176516	/nfs/dbraw/zinc/17/65/16/351176516.db2.gz	WSTLAAOSJPTFSI-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
N#Cc1cc(Cl)cc(CC(=O)[O-])c1Cl	ZINC000306938401	351360163	/nfs/dbraw/zinc/36/01/63/351360163.db2.gz	JSELYSWRHHHJEN-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
Cc1cc(C(=O)[O-])c(Br)cc1C#N	ZINC000307270299	351819026	/nfs/dbraw/zinc/81/90/26/351819026.db2.gz	PIJYXELOUAFUER-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
C#Cc1ccc([C@H](C(=O)[O-])C(C)C)cc1	ZINC000039120412	352586683	/nfs/dbraw/zinc/58/66/83/352586683.db2.gz	NGVULFRVDGBPHM-GFCCVEGCSA-N	-1	0	202.253	2.492	10	30		BEEERM
CC#CCC[C@]1(C(=O)[O-])CCCCC1=O	ZINC000232463547	352715527	/nfs/dbraw/zinc/71/55/27/352715527.db2.gz	STWAKWMZAYVRGK-LBPRGKRZSA-N	-1	0	208.257	2.004	10	30		BEEERM
Cc1cc(C#N)cc(CC(=O)[O-])c1Cl	ZINC000307665353	353091616	/nfs/dbraw/zinc/09/16/16/353091616.db2.gz	AZJAFZHUVJVQSH-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
C=CCc1c([O-])c2ccccc2oc1=O	ZINC000103260336	188152205	/nfs/dbraw/zinc/15/22/05/188152205.db2.gz	BCCWACMEIIKOKZ-UHFFFAOYSA-N	-1	0	202.209	2.227	10	30		BEEERM
C=CCC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000054399870	188177750	/nfs/dbraw/zinc/17/77/50/188177750.db2.gz	KGDWMBGKUCBADM-UHFFFAOYSA-N	-1	0	223.203	2.039	10	30		BEEERM
N#C[C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000049815479	181063073	/nfs/dbraw/zinc/06/30/73/181063073.db2.gz	YGUSCJGGYGKTKZ-YFKPBYRVSA-N	-1	0	213.595	2.171	10	30		BEEERM
N#Cc1ccc(-c2ccc(C(=O)[O-])nc2)s1	ZINC000061863344	181095203	/nfs/dbraw/zinc/09/52/03/181095203.db2.gz	GKKUNMVDTXSMTC-UHFFFAOYSA-N	-1	0	230.248	2.380	10	30		BEEERM
N#Cc1ccc(-c2cccc(F)c2F)[n-]c1=O	ZINC000075904382	181095535	/nfs/dbraw/zinc/09/55/35/181095535.db2.gz	QSFJAKLVBFGBBB-UHFFFAOYSA-N	-1	0	232.189	2.192	10	30		BEEERM
N#Cc1ccc(CC(=O)[O-])c2ccccc12	ZINC000075620293	181102780	/nfs/dbraw/zinc/10/27/80/181102780.db2.gz	OCZPYSNNNSFVMP-UHFFFAOYSA-N	-1	0	211.220	2.339	10	30		BEEERM
N#Cc1ccc(CSCCC(=O)[O-])cc1	ZINC000019481503	181110740	/nfs/dbraw/zinc/11/07/40/181110740.db2.gz	KJUFUYQNXGPOEL-UHFFFAOYSA-N	-1	0	221.281	2.266	10	30		BEEERM
N#Cc1ccc(OCCC(=O)[O-])c(Cl)c1	ZINC000021965731	181127851	/nfs/dbraw/zinc/12/78/51/181127851.db2.gz	KFJBFSBKFRNBQI-UHFFFAOYSA-N	-1	0	225.631	2.065	10	30		BEEERM
N#Cc1cccc(-c2ccncc2C(=O)[O-])c1F	ZINC000065355771	181133894	/nfs/dbraw/zinc/13/38/94/181133894.db2.gz	JZVZGEDYCNWUJG-UHFFFAOYSA-N	-1	0	242.209	2.458	10	30		BEEERM
N#Cc1cnc(-c2ccccc2[O-])nc1Cl	ZINC000000191871	181162176	/nfs/dbraw/zinc/16/21/76/181162176.db2.gz	YXEOKNGLJPBEFX-UHFFFAOYSA-N	-1	0	231.642	2.374	10	30		BEEERM
N#Cc1ccc([S@](=O)[O-])c(C(F)(F)F)c1	ZINC000675060087	538485880	/nfs/dbraw/zinc/48/58/80/538485880.db2.gz	RUKCZKNNXNVJBM-UHFFFAOYSA-N	-1	0	235.186	2.158	10	30		BEEERM
C=C(C)CNc1nc(Cl)ccc1C(=O)[O-]	ZINC000160386756	356697653	/nfs/dbraw/zinc/69/76/53/356697653.db2.gz	UAYYXKKYMDBGJN-UHFFFAOYSA-N	-1	0	226.663	2.421	10	30		BEEERM
Cc1c(C#CC(C)(C)C)onc1C(=O)[O-]	ZINC000584632368	358314862	/nfs/dbraw/zinc/31/48/62/358314862.db2.gz	WAENUVSZMMSCDJ-UHFFFAOYSA-N	-1	0	207.229	2.079	10	30		BEEERM
COC(=O)c1cc(C#N)cc(Cl)c1[S-]	ZINC000306598830	360518470	/nfs/dbraw/zinc/51/84/70/360518470.db2.gz	GKXBLSXBIFIPOL-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
C=CC[C@H]1CC[N@@H+](Cc2ncccc2C(=O)[O-])C1	ZINC000629366635	361014287	/nfs/dbraw/zinc/01/42/87/361014287.db2.gz	QGOKYFVCVWAMGE-NSHDSACASA-N	-1	0	246.310	2.178	10	30		BEEERM
Nc1scc([O-])c1-c1nc2ccccc2s1	ZINC000026507673	181338432	/nfs/dbraw/zinc/33/84/32/181338432.db2.gz	YNGBECKTLJWONR-UHFFFAOYSA-N	-1	0	248.332	2.240	10	30		BEEERM
O=CC=C([O-])c1ccc(F)cc1Cl	ZINC000070602645	361588804	/nfs/dbraw/zinc/58/88/04/361588804.db2.gz	GACJCJDTZXMNLY-UHFFFAOYSA-N	-1	0	200.596	2.251	10	30		BEEERM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C#N	ZINC000725254929	541331944	/nfs/dbraw/zinc/33/19/44/541331944.db2.gz	KIONZHMYMYKJTA-UHFFFAOYSA-N	-1	0	227.267	2.375	10	30		BEEERM
C=CC[C@@H](C)NC(=O)c1c([O-])cc(F)cc1F	ZINC000116987677	370860567	/nfs/dbraw/zinc/86/05/67/370860567.db2.gz	MWPSZQUUCZKXCX-SSDOTTSWSA-N	-1	0	241.237	2.365	10	30		BEEERM
CC(C)(C)c1cc(C(=O)[O-])c(C#N)c(=S)[nH]1	ZINC000409442540	369979810	/nfs/dbraw/zinc/97/98/10/369979810.db2.gz	WQMQDIKOKILHFO-UHFFFAOYSA-N	-1	0	236.296	2.238	10	30		BEEERM
N#Cc1c(Br)cccc1C(=O)[O-]	ZINC000132988709	371963785	/nfs/dbraw/zinc/96/37/85/371963785.db2.gz	KDEWDZYUGYZLEE-UHFFFAOYSA-N	-1	0	226.029	2.019	10	30		BEEERM
CC(C)c1cc(C(=O)[O-])c(C#N)c(=S)[nH]1	ZINC000004205362	372166194	/nfs/dbraw/zinc/16/61/94/372166194.db2.gz	PAYFKGZXZLDWJW-UHFFFAOYSA-N	-1	0	222.269	2.064	10	30		BEEERM
CCOc1cc2c(cc1OC)[n-]cc(C#N)c2=O	ZINC000038954262	372822401	/nfs/dbraw/zinc/82/24/01/372822401.db2.gz	MQGQSQDWNVXHPH-UHFFFAOYSA-N	-1	0	244.250	2.219	10	30		BEEERM
Cc1cc(CCCC(=O)[O-])ccc1C#N	ZINC000039105202	372868525	/nfs/dbraw/zinc/86/85/25/372868525.db2.gz	VGNTVHYFHNGNSR-UHFFFAOYSA-N	-1	0	203.241	2.274	10	30		BEEERM
O=C([O-])/C(F)=C(\F)C(F)(F)C(F)(F)F	ZINC000072265763	384203820	/nfs/dbraw/zinc/20/38/20/384203820.db2.gz	NZKAIQVCNVGSRE-OWOJBTEDSA-N	-1	0	226.047	2.419	10	30		BEEERM
O=C([O-])N1CCC2(C1)CCC(CS)CC2	ZINC000095078225	384355545	/nfs/dbraw/zinc/35/55/45/384355545.db2.gz	KATLIKVZKKPIEM-UHFFFAOYSA-N	-1	0	229.345	2.477	10	30		BEEERM
CCc1cc([S-])c(CC#N)cc1C#N	ZINC000575647297	385263733	/nfs/dbraw/zinc/26/37/33/385263733.db2.gz	QYYBJTWOFLTXTO-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
C[C@@H](Nc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000062790384	385519688	/nfs/dbraw/zinc/51/96/88/385519688.db2.gz	VBRREWNWMUMCEX-ZCFIWIBFSA-N	-1	0	224.647	2.097	10	30		BEEERM
Cc1c(Br)c([O-])ccc1C#N	ZINC000260024438	385651104	/nfs/dbraw/zinc/65/11/04/385651104.db2.gz	JIFNECKVIKQDGV-UHFFFAOYSA-N	-1	0	212.046	2.335	10	30		BEEERM
CCOc1c(Cl)cc(/C=N/[O-])cc1[N+](=O)[O-]	ZINC000253570429	385684764	/nfs/dbraw/zinc/68/47/64/385684764.db2.gz	NOPJQJWTSRKLSL-VZUCSPMQSA-N	-1	0	244.634	2.455	10	30		BEEERM
COc1cc(CC(=O)[O-])cc(C(F)F)c1C#N	ZINC000575343576	386691126	/nfs/dbraw/zinc/69/11/26/386691126.db2.gz	KZQWFVUFOIVOLQ-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1cc(C(F)(F)F)cc(CC(=O)[O-])c1F	ZINC000575344974	386712262	/nfs/dbraw/zinc/71/22/62/386712262.db2.gz	LAJYIMPLZSABIC-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
CCc1cc(C(=O)[O-])c(C#N)cc1OC(F)F	ZINC000575385400	386942588	/nfs/dbraw/zinc/94/25/88/386942588.db2.gz	OIPFAWGOIRLUKP-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
N#Cc1c(C(=O)[O-])ccc(C(F)F)c1[N+](=O)[O-]	ZINC000575389673	386953064	/nfs/dbraw/zinc/95/30/64/386953064.db2.gz	YEBASGCPEQBDDF-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
N#Cc1cc(C(=O)[O-])cc(OC(F)(F)F)c1F	ZINC000575390498	386960038	/nfs/dbraw/zinc/96/00/38/386960038.db2.gz	QIVODZPDYGTLFF-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
N#Cc1ccc(OC(F)(F)F)c(C(=O)[O-])c1F	ZINC000575390538	386960899	/nfs/dbraw/zinc/96/08/99/386960899.db2.gz	VCYYOYZONYMGDO-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
COC(=O)c1cc([O-])c(C(F)(F)F)c(C#N)c1	ZINC000575391681	386963113	/nfs/dbraw/zinc/96/31/13/386963113.db2.gz	DSSLWGCWULBLKX-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
COc1ccc(C(F)(F)F)c(C#N)c1C(=O)[O-]	ZINC000575393933	386992265	/nfs/dbraw/zinc/99/22/65/386992265.db2.gz	ACPZAUFPLYRKMK-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
COc1c(C(F)(F)F)ccc(C#N)c1C(=O)[O-]	ZINC000575394404	386992908	/nfs/dbraw/zinc/99/29/08/386992908.db2.gz	JXOYLAOSCPZYCC-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
Cc1ccc(OC(F)(F)F)c(C(=O)[O-])c1C#N	ZINC000575395026	386995802	/nfs/dbraw/zinc/99/58/02/386995802.db2.gz	UZGJNNLEYCISKY-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1cc(C#N)cc(C(=O)[O-])c1OC(F)(F)F	ZINC000575395018	386996339	/nfs/dbraw/zinc/99/63/39/386996339.db2.gz	UHXGXGLBHLBNEW-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
COc1c(C#N)ccc(C(F)(F)F)c1C(=O)[O-]	ZINC000575394840	386997007	/nfs/dbraw/zinc/99/70/07/386997007.db2.gz	PKSYUMUHLXALFK-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
CCOC(=O)c1c(O)c(C#N)ccc1C(F)F	ZINC000575387581	386949686	/nfs/dbraw/zinc/94/96/86/386949686.db2.gz	JPHJCBIOHVRMLQ-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
Cc1ccc(OC(F)F)c(CC(=O)[O-])c1C#N	ZINC000575387662	386951572	/nfs/dbraw/zinc/95/15/72/386951572.db2.gz	IOPIQOJPERLGQU-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1c([O-])cc(F)cc1OC(F)F	ZINC000575658307	387045730	/nfs/dbraw/zinc/04/57/30/387045730.db2.gz	FMAFKLOZSUMYDY-UHFFFAOYSA-N	-1	0	203.119	2.004	10	30		BEEERM
N#Cc1ccc(OC(F)F)c(F)c1[O-]	ZINC000575658639	387047886	/nfs/dbraw/zinc/04/78/86/387047886.db2.gz	HLHIRHFRTQGGEQ-UHFFFAOYSA-N	-1	0	203.119	2.004	10	30		BEEERM
COCc1cc(/C=N\O)cc(Cl)c1[O-]	ZINC000575602728	387373383	/nfs/dbraw/zinc/37/33/83/387373383.db2.gz	ULXKQARUDYMPNB-WCIBSUBMSA-N	-1	0	215.636	2.000	10	30		BEEERM
N#Cc1cc(C(F)F)c([O-])c([N+](=O)[O-])c1	ZINC000575668901	387323313	/nfs/dbraw/zinc/32/33/13/387323313.db2.gz	PPHPSRIZJGLGAF-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#Cc1cc([N+](=O)[O-])cc([O-])c1C(F)F	ZINC000575669445	387328746	/nfs/dbraw/zinc/32/87/46/387328746.db2.gz	VTUKLWWIQUWWGI-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
CCOc1cc(CC#N)cc([S-])c1C#N	ZINC000575648062	387891689	/nfs/dbraw/zinc/89/16/89/387891689.db2.gz	NLTBJHHIHMZFHZ-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
CCc1cc(C#N)cc(C(=O)[O-])c1OC(F)F	ZINC000575385242	388457350	/nfs/dbraw/zinc/45/73/50/388457350.db2.gz	FSFPATNOHZENBU-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
C#CC[C@@H](CCc1ccccc1)C(=O)[O-]	ZINC000075421571	388575317	/nfs/dbraw/zinc/57/53/17/388575317.db2.gz	SOWVAQCLFWAGET-LBPRGKRZSA-N	-1	0	202.253	2.343	10	30		BEEERM
COc1c(C#N)ccc(CC(=O)[O-])c1C(F)F	ZINC000575343601	388811692	/nfs/dbraw/zinc/81/16/92/388811692.db2.gz	PLBLYYGXTGDRBB-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
O=C(/C=C/Cl)c1cc(F)ccc1[O-]	ZINC000575471757	388848902	/nfs/dbraw/zinc/84/89/02/388848902.db2.gz	GFNHUMWHRIRUIO-ONEGZZNKSA-N	-1	0	200.596	2.467	10	30		BEEERM
CC(C#N)=C([O-])c1ncsc1Br	ZINC000575488420	388880267	/nfs/dbraw/zinc/88/02/67/388880267.db2.gz	ZRMRAUGEZQTMMM-BYPYZUCNSA-N	-1	0	245.101	2.248	10	30		BEEERM
N#Cc1cccc(C2(C(=O)[O-])CCC2)c1	ZINC000238696268	134848956	/nfs/dbraw/zinc/84/89/56/134848956.db2.gz	DMKAIYMQWRFIHE-UHFFFAOYSA-N	-1	0	201.225	2.065	10	30		BEEERM
C#CCN[C@@H](C(=O)[O-])c1ccc(C(C)C)cc1	ZINC000051963311	166191436	/nfs/dbraw/zinc/19/14/36/166191436.db2.gz	SSJCPOLJSDLFIB-CYBMUJFWSA-N	-1	0	231.295	2.159	10	30		BEEERM
C=CCOc1c(/C=C/C(=O)[O-])cccc1OC	ZINC000035413402	166422082	/nfs/dbraw/zinc/42/20/82/166422082.db2.gz	PBWWCEMCAOLCPZ-BQYQJAHWSA-N	-1	0	234.251	2.358	10	30		BEEERM
C=CCOc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000057882988	166423759	/nfs/dbraw/zinc/42/37/59/166423759.db2.gz	UZYOIGGUVSVSBG-XQRVVYSFSA-N	-1	0	249.222	2.257	10	30		BEEERM
CC(C)[C@]1(c2ccccc2)OC(C(=O)[O-])=CC1=O	ZINC000039310686	167545343	/nfs/dbraw/zinc/54/53/43/167545343.db2.gz	WKLZXWOSVFGMTA-CQSZACIVSA-N	-1	0	246.262	2.106	10	30		BEEERM
C=C[C@@H](C(=O)[O-])N(C)Cc1ccc(C)s1	ZINC000652409333	411231249	/nfs/dbraw/zinc/23/12/49/411231249.db2.gz	LNDIJJAQHMYHLC-JTQLQIEISA-N	-1	0	225.313	2.128	10	30		BEEERM
CC[C@]1(CCC(C)C)C(=O)NC(=O)N([O-])C1=O	ZINC000005923895	171211378	/nfs/dbraw/zinc/21/13/78/171211378.db2.gz	YEUMGUWIUSGGRU-NSHDSACASA-N	-1	0	242.275	2.127	10	30	in-vitro	BEEERM
COc1ccc(Cl)c2c1[n-]cc(C#N)c2=O	ZINC000019471701	175118959	/nfs/dbraw/zinc/11/89/59/175118959.db2.gz	DVJCWMQLWQGNGT-UHFFFAOYSA-N	-1	0	234.642	2.474	10	30		BEEERM
COc1ccc(Cl)cc1[C@@H](C#N)C(=O)[O-]	ZINC000049820253	175122305	/nfs/dbraw/zinc/12/23/05/175122305.db2.gz	MSHVZQVQVQNUHG-MRVPVSSYSA-N	-1	0	225.631	2.040	10	30		BEEERM
Cc1cc(Cl)ccc1NC(=O)C=N[O-]	ZINC000254822511	524890492	/nfs/dbraw/zinc/89/04/92/524890492.db2.gz	IHRNYCWVHDGNFY-UHFFFAOYSA-N	-1	0	212.636	2.047	10	30		BEEERM
C#CCCSCc1ccc(C(=O)[O-])o1	ZINC000757145034	582526640	/nfs/dbraw/zinc/52/66/40/582526640.db2.gz	KINQAONMKTVHRD-UHFFFAOYSA-N	-1	0	210.254	2.234	10	30		BEEERM
N#Cc1ccccc1C1(C(=O)[O-])CC(F)(F)C1	ZINC000757191868	586435866	/nfs/dbraw/zinc/43/58/66/586435866.db2.gz	RPTAEHDVHAKKFK-UHFFFAOYSA-N	-1	0	237.205	2.310	10	30		BEEERM
C#C[C@@H](C)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000166866813	640683399	/nfs/dbraw/zinc/68/33/99/640683399.db2.gz	HJWQLUMYNRZFJZ-SECBINFHSA-N	-1	0	203.241	2.127	10	30		BEEERM
C#C[C@H](C)Nc1ccc(C)cc1C(=O)[O-]	ZINC000166870650	640684034	/nfs/dbraw/zinc/68/40/34/640684034.db2.gz	MFOQJUFTXJNAEP-VIFPVBQESA-N	-1	0	203.241	2.127	10	30		BEEERM
C#C[C@@H](CC)Nc1cc(C(=O)[O-])c(Cl)cn1	ZINC000229996530	641002785	/nfs/dbraw/zinc/00/27/85/641002785.db2.gz	ZIGRFXFDISLCSJ-ZETCQYMHSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#C[C@@H](CC)Nc1ccc(Cl)c(C(=O)[O-])n1	ZINC000229995978	711840059	/nfs/dbraw/zinc/84/00/59/711840059.db2.gz	AAKAONJROOIAHZ-ZETCQYMHSA-N	-1	0	238.674	2.257	10	30		BEEERM
C=C1CN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1	ZINC000688992192	976198813	/nfs/dbraw/zinc/19/88/13/976198813.db2.gz	NWOFYWCYUFDSKK-UHFFFAOYSA-N	-1	0	246.266	2.097	10	30		BEEERM
CC(C)(CSc1ccncc1C#N)C(=O)[O-]	ZINC000700345981	976951246	/nfs/dbraw/zinc/95/12/46/976951246.db2.gz	ZQMDSKJSDKRKMD-UHFFFAOYSA-N	-1	0	236.296	2.156	10	30		BEEERM
N#Cc1ccc(NC[C@H](CC(=O)[O-])C2CC2)cc1	ZINC000702116073	977064171	/nfs/dbraw/zinc/06/41/71/977064171.db2.gz	NZALAGWMJCOKBV-LBPRGKRZSA-N	-1	0	244.294	2.471	10	30		BEEERM
Cc1ccc(C#N)c(NC(C)(C)C(=O)[O-])c1	ZINC000051578350	178362901	/nfs/dbraw/zinc/36/29/01/178362901.db2.gz	RWROBTHVPMAHKU-UHFFFAOYSA-N	-1	0	218.256	2.142	10	30		BEEERM
CCO[C@@H](/C(N)=N/O)c1ccc(Cl)cc1	ZINC000005650863	342767928	/nfs/dbraw/zinc/76/79/28/342767928.db2.gz	UGPIQQHRWONTHJ-SECBINFHSA-N	-1	0	228.679	2.164	10	30		BEEERM
CC[C@@]1(CCC(C)C)C(=O)NC(=O)N([O-])C1=O	ZINC000005954817	342772054	/nfs/dbraw/zinc/77/20/54/342772054.db2.gz	YEUMGUWIUSGGRU-LLVKDONJSA-N	-1	0	242.275	2.127	10	30	in-vitro	BEEERM
C#C[C@H](CC)n1c(C)cc(C(=O)[O-])c1C	ZINC000229861279	342776484	/nfs/dbraw/zinc/77/64/84/342776484.db2.gz	JLJWPATULNFJDI-SNVBAGLBSA-N	-1	0	205.257	2.387	10	30		BEEERM
Cc1cccc(C[C@H](S)C(=O)[O-])c1C	ZINC000043314513	343047660	/nfs/dbraw/zinc/04/76/60/343047660.db2.gz	IVDQRUCVLHYXBZ-JTQLQIEISA-N	-1	0	210.298	2.229	10	30		BEEERM
N#Cc1cc(F)c(OC(F)(F)F)cc1C(=O)[O-]	ZINC000514272203	343647982	/nfs/dbraw/zinc/64/79/82/343647982.db2.gz	WNHVOUNTCXMGNP-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
C[C@@H](Oc1cc(Cl)cc(C#N)c1)C(=O)[O-]	ZINC000306402086	344168151	/nfs/dbraw/zinc/16/81/51/344168151.db2.gz	QSCANWOTSXZWSS-ZCFIWIBFSA-N	-1	0	225.631	2.064	10	30		BEEERM
N#Cc1ccc(CC(=O)[O-])c(Cl)c1Cl	ZINC000306608103	344304205	/nfs/dbraw/zinc/30/42/05/344304205.db2.gz	VMGVCFZSDKAVMA-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
N#Cc1cccc(Cn2cccc2C(=O)[O-])c1	ZINC000084888466	344481682	/nfs/dbraw/zinc/48/16/82/344481682.db2.gz	UXSPCWOIUJPILD-UHFFFAOYSA-N	-1	0	226.235	2.106	10	30		BEEERM
N#Cc1c(F)cc(C(F)(F)F)cc1C(=O)[O-]	ZINC000396139477	344615202	/nfs/dbraw/zinc/61/52/02/344615202.db2.gz	UZFKHYKTDCBSBH-UHFFFAOYSA-N	-1	0	233.120	2.414	10	30		BEEERM
Cc1cc(CC(=O)[O-])c(C#N)c(C(F)F)c1	ZINC000396145698	344619269	/nfs/dbraw/zinc/61/92/69/344619269.db2.gz	AYOYQSBTHWQHIT-UHFFFAOYSA-N	-1	0	225.194	2.431	10	30		BEEERM
Cc1cc(C(=O)[O-])cc(OC(F)F)c1C#N	ZINC000396156121	344627703	/nfs/dbraw/zinc/62/77/03/344627703.db2.gz	ICCFNPZSJHSWFW-UHFFFAOYSA-N	-1	0	227.166	2.166	10	30		BEEERM
CCc1cc(C#N)cc(CC(=O)[O-])c1Cl	ZINC000396160752	344633305	/nfs/dbraw/zinc/63/33/05/344633305.db2.gz	OHADXGPJWNIRPV-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
CCc1cc(C#N)c(Cl)c(CC(=O)[O-])c1	ZINC000396163134	344634631	/nfs/dbraw/zinc/63/46/31/344634631.db2.gz	QVFQZTXKKQYSSZ-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
CCc1c(CC(=O)[O-])ccc(Cl)c1C#N	ZINC000396163214	344635105	/nfs/dbraw/zinc/63/51/05/344635105.db2.gz	RIOPMDMOKXTFEN-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
CCc1ccc(C)c(CC(=O)[O-])c1C#N	ZINC000396166105	344635945	/nfs/dbraw/zinc/63/59/45/344635945.db2.gz	ULHBBUNRLINKRT-UHFFFAOYSA-N	-1	0	203.241	2.056	10	30		BEEERM
Cc1cc(OC(F)F)c(C#N)c(C(=O)[O-])c1	ZINC000396166363	344636462	/nfs/dbraw/zinc/63/64/62/344636462.db2.gz	USRGLCDKWVEWDJ-UHFFFAOYSA-N	-1	0	227.166	2.166	10	30		BEEERM
CCc1cc(C(=O)[O-])c(OC(F)F)cc1C#N	ZINC000514272077	344910484	/nfs/dbraw/zinc/91/04/84/344910484.db2.gz	OXBMBHIQKMOJKC-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
N#Cc1c(C(=O)[O-])cc([N+](=O)[O-])cc1C(F)F	ZINC000514272268	344910653	/nfs/dbraw/zinc/91/06/53/344910653.db2.gz	QMHLSJAGHIECEA-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
CCc1cc(C(=O)[O-])cc(OC(F)F)c1C#N	ZINC000514272084	344910668	/nfs/dbraw/zinc/91/06/68/344910668.db2.gz	RERKSXPHHAUADV-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
N#Cc1cc(C(F)(F)F)c(CC(=O)[O-])cc1F	ZINC000514275401	344911082	/nfs/dbraw/zinc/91/10/82/344911082.db2.gz	CRPUZYSWPZGRGX-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1ccc(CC(=O)[O-])c(C(F)(F)F)c1	ZINC000390113818	344904515	/nfs/dbraw/zinc/90/45/15/344904515.db2.gz	YUFFQMNZNGZPSL-UHFFFAOYSA-N	-1	0	229.157	2.204	10	30		BEEERM
N#Cc1c(F)c(C(=O)[O-])ccc1Br	ZINC000307168249	345101319	/nfs/dbraw/zinc/10/13/19/345101319.db2.gz	UOLIWRFAJRFRNM-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
N#Cc1cccc(Br)c1C(=O)[O-]	ZINC000238695503	345111744	/nfs/dbraw/zinc/11/17/44/345111744.db2.gz	QHFVVMYANQXVJT-UHFFFAOYSA-N	-1	0	226.029	2.019	10	30		BEEERM
CC(C)c1[n-]c(=O)c(C#N)cc1Br	ZINC000145767265	345211329	/nfs/dbraw/zinc/21/13/29/345211329.db2.gz	FLQHFJHLYWNTIW-UHFFFAOYSA-N	-1	0	241.088	2.132	10	30		BEEERM
C#CC[C@H](C)Nc1ccccc1C(=O)[O-]	ZINC000228976408	345425117	/nfs/dbraw/zinc/42/51/17/345425117.db2.gz	HWEYFWSXCQXMAK-VIFPVBQESA-N	-1	0	203.241	2.209	10	30		BEEERM
N#Cc1cccc(C(=O)c2ccc([O-])cc2)c1	ZINC000034331304	345821725	/nfs/dbraw/zinc/82/17/25/345821725.db2.gz	RVBPKXNAHYSUGP-UHFFFAOYSA-N	-1	0	223.231	2.495	10	30		BEEERM
C#CCN(C)c1ccc(C(=O)[O-])cc1Cl	ZINC000130487288	362984915	/nfs/dbraw/zinc/98/49/15/362984915.db2.gz	NOLQMFMITPQLKQ-UHFFFAOYSA-N	-1	0	223.659	2.108	10	30		BEEERM
CCc1c(C#N)c(Cl)ccc1C(=O)[O-]	ZINC000306723207	350891884	/nfs/dbraw/zinc/89/18/84/350891884.db2.gz	RCNYJJBOCYKKDE-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
CCc1cc(Cl)c(C#N)c(C(=O)[O-])c1	ZINC000306937998	351360335	/nfs/dbraw/zinc/36/03/35/351360335.db2.gz	MEDGTAWYXINNQF-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
C/C(=N\NC/C=C/c1cccc(C)c1)C(=O)[O-]	ZINC000029225952	187764731	/nfs/dbraw/zinc/76/47/31/187764731.db2.gz	KRQLEXNSUCUTKF-UUJYEEJDSA-N	-1	0	232.283	2.058	10	30		BEEERM
O=C([O-])/C(Cc1ccc(Cl)c(Cl)c1)=N\O	ZINC000725273828	538104794	/nfs/dbraw/zinc/10/47/94/538104794.db2.gz	LBMUIOIICAZTHC-WQLSENKSSA-N	-1	0	248.065	2.451	10	30		BEEERM
C=C(CNc1ccc(C)cc1C)C(=O)[O-]	ZINC000232424192	352660300	/nfs/dbraw/zinc/66/03/00/352660300.db2.gz	LYANBRBJOQRFGL-UHFFFAOYSA-N	-1	0	205.257	2.356	10	30		BEEERM
Cc1ccc(C#N)c(C(=O)[O-])c1Br	ZINC000307515126	352631781	/nfs/dbraw/zinc/63/17/81/352631781.db2.gz	RXBMUKLNSWPKNZ-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
COC(=O)c1ccc(Cl)c(C#N)c1[S-]	ZINC000307628405	352709015	/nfs/dbraw/zinc/70/90/15/352709015.db2.gz	UBLAROACTTVEIZ-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
C/C(=N\OCC(=O)[O-])c1ccc(C2CC2)cc1	ZINC000169344761	187815699	/nfs/dbraw/zinc/81/56/99/187815699.db2.gz	ZLSSSVHKKFDROO-NTEUORMPSA-N	-1	0	233.267	2.389	10	30		BEEERM
CC#CCOc1c(/C=C/C(=O)[O-])cccc1OC	ZINC000051664158	187870647	/nfs/dbraw/zinc/87/06/47/187870647.db2.gz	OENNQAKRXVMGAJ-CMDGGOBGSA-N	-1	0	246.262	2.195	10	30		BEEERM
CO/N=C/c1cc(Cl)c(F)cc1[O-]	ZINC000306463128	353016721	/nfs/dbraw/zinc/01/67/21/353016721.db2.gz	IASOKIWBLVNYSS-NYYWCZLTSA-N	-1	0	203.600	2.165	10	30		BEEERM
C=C(C)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000036225937	188102767	/nfs/dbraw/zinc/10/27/67/188102767.db2.gz	AIROZFHHKGZKTM-UHFFFAOYSA-N	-1	0	237.211	2.248	10	30		BEEERM
CC(C)[C@H](Nc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000082711555	188139479	/nfs/dbraw/zinc/13/94/79/188139479.db2.gz	CPDLVBOKFDUKFL-LBPRGKRZSA-N	-1	0	232.283	2.274	10	30		BEEERM
CCc1ccc(C(=O)/C(Cl)=N\[O-])cc1	ZINC000100197295	188149852	/nfs/dbraw/zinc/14/98/52/188149852.db2.gz	QZNYBKYXKQVXBR-ZRDIBKRKSA-N	-1	0	211.648	2.458	10	30		BEEERM
CC(C)[C@H](Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000037453275	188461103	/nfs/dbraw/zinc/46/11/03/188461103.db2.gz	OLXMDPAVYCQLHY-NSHDSACASA-N	-1	0	218.256	2.079	10	30		BEEERM
C=C[C@@H](C)Sc1nc(C)nc(C)c1C(=O)[O-]	ZINC000052140731	188515246	/nfs/dbraw/zinc/51/52/46/188515246.db2.gz	JVMPESBSTGAEHR-ZCFIWIBFSA-N	-1	0	238.312	2.458	10	30		BEEERM
N#CC1(CC(=O)[O-])C2CC3CC(C2)CC1C3	ZINC000073139928	181028813	/nfs/dbraw/zinc/02/88/13/181028813.db2.gz	RUBHNPNCPXGKIE-UHFFFAOYSA-N	-1	0	219.284	2.427	10	30		BEEERM
N#Cc1c(C(=O)[O-])cnn1-c1ccc(Cl)cc1	ZINC000034114602	181072633	/nfs/dbraw/zinc/07/26/33/181072633.db2.gz	CHYAPGPZIQCOOA-UHFFFAOYSA-N	-1	0	247.641	2.096	10	30		BEEERM
N#Cc1cc(CC(=O)[O-])cc(C(F)(F)F)c1	ZINC000095764713	181084446	/nfs/dbraw/zinc/08/44/46/181084446.db2.gz	SFIBGTCKCVGOPM-UHFFFAOYSA-N	-1	0	229.157	2.204	10	30		BEEERM
N#Cc1ccc(-c2csc(CC(=O)[O-])n2)cc1	ZINC000034956324	181095715	/nfs/dbraw/zinc/09/57/15/181095715.db2.gz	WDNYALOXHRBIAH-UHFFFAOYSA-N	-1	0	244.275	2.309	10	30		BEEERM
N#Cc1ccc(NCCC(=O)[O-])c(Cl)c1	ZINC000062790357	181120038	/nfs/dbraw/zinc/12/00/38/181120038.db2.gz	FSSYOVBYQVFBRC-UHFFFAOYSA-N	-1	0	224.647	2.098	10	30		BEEERM
N#Cc1cccc(-c2cnccc2C(=O)[O-])c1	ZINC000065347151	181133933	/nfs/dbraw/zinc/13/39/33/181133933.db2.gz	BCJVTCKWJUMZRA-UHFFFAOYSA-N	-1	0	224.219	2.318	10	30		BEEERM
N#Cc1cccc(-c2ccncc2C(=O)[O-])c1	ZINC000065355613	181133935	/nfs/dbraw/zinc/13/39/35/181133935.db2.gz	TXIDHUKMNPNJSN-UHFFFAOYSA-N	-1	0	224.219	2.318	10	30		BEEERM
N#Cc1ccccc1Nc1ncccc1C(=O)[O-]	ZINC000019845035	181149185	/nfs/dbraw/zinc/14/91/85/181149185.db2.gz	GPFUGTXKIRSTGO-UHFFFAOYSA-N	-1	0	239.234	2.395	10	30		BEEERM
N#Cc1cnc(-c2ccccc2Cl)[n-]c1=O	ZINC000060138313	181161578	/nfs/dbraw/zinc/16/15/78/181161578.db2.gz	DIOIUBFOJHVCEV-UHFFFAOYSA-N	-1	0	231.642	2.374	10	30		BEEERM
CCCCC[C@H](C)N/N=C(\C)C(=O)[O-]	ZINC000029222719	168742116	/nfs/dbraw/zinc/74/21/16/168742116.db2.gz	MRNGTPYCVLTQEK-IJTFOSHNSA-N	-1	0	200.282	2.005	10	30		BEEERM
C=CCc1ccccc1O[C@@H](C)C(=O)[O-]	ZINC000011799275	355830861	/nfs/dbraw/zinc/83/08/61/355830861.db2.gz	GJDOUGNOOOJOHU-VIFPVBQESA-N	-1	0	206.241	2.267	10	30		BEEERM
N#Cc1cc(C(F)(F)F)ccc1[S@](=O)[O-]	ZINC000675060861	538487383	/nfs/dbraw/zinc/48/73/83/538487383.db2.gz	LLKZUZKZPGGDLB-UHFFFAOYSA-N	-1	0	235.186	2.158	10	30		BEEERM
C#CCSc1ccc(F)c(C(=O)[O-])c1	ZINC000160427795	356963387	/nfs/dbraw/zinc/96/33/87/356963387.db2.gz	RSOJLQSYWUKZFM-UHFFFAOYSA-N	-1	0	210.229	2.249	10	30		BEEERM
C=CC[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000584614729	358279686	/nfs/dbraw/zinc/27/96/86/358279686.db2.gz	HGWTYRIAXWGOOW-SNVBAGLBSA-N	-1	0	234.251	2.235	10	30		BEEERM
COC/C(=N/[O-])c1ccc(OC(F)(F)F)cc1	ZINC000584603962	358262671	/nfs/dbraw/zinc/26/26/71/358262671.db2.gz	XVMXWYAXAKKKHJ-ZROIWOOFSA-N	-1	0	249.188	2.410	10	30		BEEERM
Cc1cc(Br)cc(C(=O)[O-])c1C#N	ZINC000306185683	359001915	/nfs/dbraw/zinc/00/19/15/359001915.db2.gz	RVQFBCJYKVXYME-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
CO/N=C/c1cc(Cl)cc(F)c1[O-]	ZINC000306279361	359507785	/nfs/dbraw/zinc/50/77/85/359507785.db2.gz	YNKAPUOWMIDFHX-NYYWCZLTSA-N	-1	0	203.600	2.165	10	30		BEEERM
Cc1cc(C(=O)[O-])cc(C#N)c1Br	ZINC000306375343	359710181	/nfs/dbraw/zinc/71/01/81/359710181.db2.gz	PZHILQUIDSYAMA-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
N#C[C@H](C(=O)[O-])c1cccc(Cl)c1F	ZINC000169266424	360015609	/nfs/dbraw/zinc/01/56/09/360015609.db2.gz	BOGBORNKFVAIKY-LURJTMIESA-N	-1	0	213.595	2.171	10	30		BEEERM
C#CCOc1cccc(Cl)c1C(=O)[O-]	ZINC000054552700	369077833	/nfs/dbraw/zinc/07/78/33/369077833.db2.gz	HJLJCVWXXVUTRH-UHFFFAOYSA-N	-1	0	210.616	2.050	10	30		BEEERM
Cc1cc(C#CC(=O)[O-])ccc1Br	ZINC000132129849	371755622	/nfs/dbraw/zinc/75/56/22/371755622.db2.gz	LWHYJPUJLQAQLF-UHFFFAOYSA-N	-1	0	239.068	2.194	10	30		BEEERM
N#CCc1cc([O-])c(Br)c(F)c1	ZINC000216658596	371788219	/nfs/dbraw/zinc/78/82/19/371788219.db2.gz	BYVGZQQAZJMXQQ-UHFFFAOYSA-N	-1	0	230.036	2.360	10	30		BEEERM
C#CCCNc1cccc(Cl)c1C(=O)[O-]	ZINC000069791771	373767827	/nfs/dbraw/zinc/76/78/27/373767827.db2.gz	WZKNFRPEXOLWTM-UHFFFAOYSA-N	-1	0	223.659	2.473	10	30		BEEERM
CCCOc1cccc(/C=C/C(=O)C(=O)[O-])c1	ZINC000058002578	169323875	/nfs/dbraw/zinc/32/38/75/169323875.db2.gz	KEQSQHQYMGPMMK-VOTSOKGWSA-N	-1	0	234.251	2.142	10	30		BEEERM
CCc1cc2oc(=O)c(C#N)c([O-])c2cc1CC	ZINC000082307888	384117024	/nfs/dbraw/zinc/11/70/24/384117024.db2.gz	BDIPRJRCJYSJMN-UHFFFAOYSA-N	-1	0	243.262	2.495	10	30		BEEERM
O=CCCc1ccc(Cl)cc1C(=O)[O-]	ZINC000095938143	384417447	/nfs/dbraw/zinc/41/74/47/384417447.db2.gz	AVTDXEPPRUNVJS-UHFFFAOYSA-N	-1	0	212.632	2.170	10	30		BEEERM
N#Cc1c([O-])c(F)ccc1Br	ZINC000258292201	384559673	/nfs/dbraw/zinc/55/96/73/384559673.db2.gz	WSOPYPJUNLQIDB-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
N#CCc1cc(C#N)c(C(F)F)cc1[O-]	ZINC000575643387	386581053	/nfs/dbraw/zinc/58/10/53/386581053.db2.gz	PLEOHRYERZCKQU-UHFFFAOYSA-N	-1	0	208.167	2.268	10	30		BEEERM
N#Cc1cc(CC(=O)[O-])ccc1OC(F)(F)F	ZINC000575345018	386711631	/nfs/dbraw/zinc/71/16/31/386711631.db2.gz	PBTLGSCJWMBZDN-UHFFFAOYSA-N	-1	0	245.156	2.084	10	30		BEEERM
COc1cc(C(F)F)cc(C#N)c1CC(=O)[O-]	ZINC000575343577	386691728	/nfs/dbraw/zinc/69/17/28/386691728.db2.gz	LAHNKVFXJXIJGQ-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
COc1cc(C(F)F)c(C#N)cc1CC(=O)[O-]	ZINC000575343623	386692189	/nfs/dbraw/zinc/69/21/89/386692189.db2.gz	RYWVNTJVEOZSIV-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1c(F)cc(C(F)(F)F)cc1CC(=O)[O-]	ZINC000575344966	386711896	/nfs/dbraw/zinc/71/18/96/386711896.db2.gz	KOAVINVTUPREIQ-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
CCOC(=O)c1c(C#N)cc([O-])cc1C(F)F	ZINC000575387342	386946973	/nfs/dbraw/zinc/94/69/73/386946973.db2.gz	CEUCENVCDNXKRT-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
N#Cc1ccc([N+](=O)[O-])c(C(=O)[O-])c1C(F)F	ZINC000575389466	386953522	/nfs/dbraw/zinc/95/35/22/386953522.db2.gz	NTRSYTQNHDDUBS-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
CCOC(=O)c1ccc([O-])c(C#N)c1C(F)F	ZINC000575387762	386957511	/nfs/dbraw/zinc/95/75/11/386957511.db2.gz	OAFAMYFTJJHSSE-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])c(OC(F)(F)F)c1F	ZINC000575390354	386959042	/nfs/dbraw/zinc/95/90/42/386959042.db2.gz	CXVGPZJAMCGNQY-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])c(C=O)c1C(F)(F)F	ZINC000575390854	386960915	/nfs/dbraw/zinc/96/09/15/386960915.db2.gz	GPMNWLOIYHHVSC-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1cc(OC(F)(F)F)c(F)cc1C(=O)[O-]	ZINC000575390555	386960991	/nfs/dbraw/zinc/96/09/91/386960991.db2.gz	XADOWAYGURXOPP-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
Cc1ccc(OC(F)(F)F)c(C#N)c1C(=O)[O-]	ZINC000575394104	386992219	/nfs/dbraw/zinc/99/22/19/386992219.db2.gz	BFGUOBOFFADSTI-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1cc(C(=O)[O-])cc(C#N)c1OC(F)(F)F	ZINC000575394217	386992892	/nfs/dbraw/zinc/99/28/92/386992892.db2.gz	ICOOJMWCYXVOMT-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1c(C#N)ccc(OC(F)(F)F)c1C(=O)[O-]	ZINC000575395047	386994537	/nfs/dbraw/zinc/99/45/37/386994537.db2.gz	WJGDOVGJYDYPRS-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1c(CC(=O)[O-])cc(C#N)cc1OC(F)F	ZINC000575388434	386951098	/nfs/dbraw/zinc/95/10/98/386951098.db2.gz	VAAOCJFEMAZSRC-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
Cc1cc(OC(F)F)c(CC(=O)[O-])cc1C#N	ZINC000575388219	386951517	/nfs/dbraw/zinc/95/15/17/386951517.db2.gz	OOPLAWOAIHTFQH-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
O=CC=C([O-])c1cncc(Br)c1	ZINC000575469977	387109883	/nfs/dbraw/zinc/10/98/83/387109883.db2.gz	VLRIHDYFILLSTF-OWOJBTEDSA-N	-1	0	228.045	2.099	10	30		BEEERM
COCc1cc(C#N)cc(Br)c1[O-]	ZINC000575601734	387367488	/nfs/dbraw/zinc/36/74/88/387367488.db2.gz	HJGKVCKZCXZQIY-UHFFFAOYSA-N	-1	0	242.072	2.173	10	30		BEEERM
N#Cc1ccc(C(F)F)c([O-])c1[N+](=O)[O-]	ZINC000575668923	387323965	/nfs/dbraw/zinc/32/39/65/387323965.db2.gz	PZQBDYOXZWSMGN-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
O=C(/C=C/Cl)c1ccc([O-])cc1F	ZINC000575517819	387433983	/nfs/dbraw/zinc/43/39/83/387433983.db2.gz	VHOZLLIQURLYTA-ONEGZZNKSA-N	-1	0	200.596	2.467	10	30		BEEERM
N#CCc1cc(C#N)cc(C(F)F)c1[O-]	ZINC000575643129	387865902	/nfs/dbraw/zinc/86/59/02/387865902.db2.gz	NHOCAIQQPIZQBC-UHFFFAOYSA-N	-1	0	208.167	2.268	10	30		BEEERM
CCOc1c([S-])cc(CC#N)cc1C#N	ZINC000575646904	387884273	/nfs/dbraw/zinc/88/42/73/387884273.db2.gz	PAOHINSAPDISEH-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
CCc1cc([S-])cc(CC#N)c1C#N	ZINC000575648632	387885347	/nfs/dbraw/zinc/88/53/47/387885347.db2.gz	WCICCTXGXLCPFH-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
CCc1c(OC(F)F)cc(C#N)cc1C(=O)[O-]	ZINC000575385536	388458092	/nfs/dbraw/zinc/45/80/92/388458092.db2.gz	YOVOOCZBECKIQQ-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
Cc1nc(-c2ccccc2)[n-]c(=O)c1C#N	ZINC000075620399	388660942	/nfs/dbraw/zinc/66/09/42/388660942.db2.gz	XPRIKNMRRNFONW-UHFFFAOYSA-N	-1	0	211.224	2.029	10	30		BEEERM
N#Cc1c[n-]c2cc(Cl)c(F)cc2c1=O	ZINC000095937952	388792516	/nfs/dbraw/zinc/79/25/16/388792516.db2.gz	SGUZEYROJCBJHH-UHFFFAOYSA-N	-1	0	222.606	2.192	10	30		BEEERM
COc1ccc(C#N)c(C(F)F)c1CC(=O)[O-]	ZINC000575343522	388810284	/nfs/dbraw/zinc/81/02/84/388810284.db2.gz	DIYQUNDDMHBEBR-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
CSc1cccc2c1[n-]cc(C#N)c2=O	ZINC000095937897	388791771	/nfs/dbraw/zinc/79/17/71/388791771.db2.gz	VYENVXUCXXIOKF-UHFFFAOYSA-N	-1	0	216.265	2.122	10	30		BEEERM
CCOc1nc(C)cc2oc(C#N)c([O-])c21	ZINC000100256919	397924445	/nfs/dbraw/zinc/92/44/45/397924445.db2.gz	OKNBXKIUCSHOHO-UHFFFAOYSA-N	-1	0	218.212	2.112	10	30		BEEERM
CC(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000052233107	167347086	/nfs/dbraw/zinc/34/70/86/167347086.db2.gz	XCTGEVAKATUJCM-LLVKDONJSA-N	-1	0	203.241	2.382	10	30		BEEERM
Cc1ccc2c(c1)C([O-])=C(C)C(=O)C2=O	ZINC000014448049	168088685	/nfs/dbraw/zinc/08/86/85/168088685.db2.gz	QOKALUAMROUVEI-UHFFFAOYSA-N	-1	0	202.209	2.206	10	30		BEEERM
CC[C@H](C#N)Oc1ccccc1C(=O)[O-]	ZINC000044427797	171219184	/nfs/dbraw/zinc/21/91/84/171219184.db2.gz	NGDLTCHBKBRRDQ-MRVPVSSYSA-N	-1	0	205.213	2.066	10	30		BEEERM
CN(CCC#N)c1cccc(Cl)c1C(=O)[O-]	ZINC000020080061	172666565	/nfs/dbraw/zinc/66/65/65/172666565.db2.gz	ZAIMYTDDLNVDDJ-UHFFFAOYSA-N	-1	0	238.674	2.388	10	30		BEEERM
COc1ccc(-c2[n-]c(=O)c(C#N)cc2C)cc1	ZINC000043404437	175028816	/nfs/dbraw/zinc/02/88/16/175028816.db2.gz	XKUFUATZHSOGRB-UHFFFAOYSA-N	-1	0	240.262	2.231	10	30		BEEERM
C[C@@H](CC(=O)[O-])N(CCC#N)c1ccccc1	ZINC000035752047	175643186	/nfs/dbraw/zinc/64/31/86/175643186.db2.gz	MDWLJRFAZPFAQE-NSHDSACASA-N	-1	0	232.283	2.270	10	30		BEEERM
COc1ccc(C(Cl)=N[O-])cc1F	ZINC000242464043	523793885	/nfs/dbraw/zinc/79/38/85/523793885.db2.gz	DTSYHJRTWLCQJV-UHFFFAOYSA-N	-1	0	203.600	2.209	10	30		BEEERM
Cc1cc([O-])n2nc(C(F)(F)F)cc2c1C#N	ZINC000072226091	525339709	/nfs/dbraw/zinc/33/97/09/525339709.db2.gz	QGEFAOKSBAHTFW-UHFFFAOYSA-N	-1	0	241.172	2.239	10	30		BEEERM
[O-]N=Cc1c(F)ccc(C2OCCO2)c1Cl	ZINC000253369711	527643628	/nfs/dbraw/zinc/64/36/28/527643628.db2.gz	HBSWAZVQXCRCJA-UHFFFAOYSA-N	-1	0	245.637	2.333	10	30		BEEERM
CC(C=O)=C([O-])c1cccc(Br)c1	ZINC000235080508	582510684	/nfs/dbraw/zinc/51/06/84/582510684.db2.gz	HZURAIGMMQPFNK-ZETCQYMHSA-N	-1	0	241.084	2.467	10	30		BEEERM
C#CCC1(Nc2ncc(C(=O)[O-])s2)CCC1	ZINC000757176009	582553307	/nfs/dbraw/zinc/55/33/07/582553307.db2.gz	RQUDYDYJNUICON-UHFFFAOYSA-N	-1	0	236.296	2.199	10	30		BEEERM
C#C[C@@H](Nc1ccccc1C(=O)[O-])C(C)C	ZINC000300803252	585682811	/nfs/dbraw/zinc/68/28/11/585682811.db2.gz	FKNVVTNNTFIOEK-LLVKDONJSA-N	-1	0	217.268	2.455	10	30		BEEERM
O=Cc1csc2c1cccc2C#CC(=O)[O-]	ZINC000757568809	586462226	/nfs/dbraw/zinc/46/22/26/586462226.db2.gz	NUJFBHOAOQSFTR-UHFFFAOYSA-N	-1	0	230.244	2.150	10	30		BEEERM
CC#CCNc1ccc(C)cc1C(=O)[O-]	ZINC000167984894	636283744	/nfs/dbraw/zinc/28/37/44/636283744.db2.gz	LTLNYBYVVSPVLH-UHFFFAOYSA-N	-1	0	203.241	2.128	10	30		BEEERM
C#CC[C@H](C)Nc1cc(C(=O)[O-])c(Cl)cn1	ZINC000166480799	640642263	/nfs/dbraw/zinc/64/22/63/640642263.db2.gz	ZTHJJGIJKRHBRE-ZETCQYMHSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#C[C@H](CC)Nc1cc(C(=O)[O-])c(Cl)cn1	ZINC000229996536	641003448	/nfs/dbraw/zinc/00/34/48/641003448.db2.gz	ZIGRFXFDISLCSJ-SSDOTTSWSA-N	-1	0	238.674	2.257	10	30		BEEERM
Cc1cc(C[C@@H](C#N)C(=O)[O-])ccc1Cl	ZINC000757155356	643346156	/nfs/dbraw/zinc/34/61/56/643346156.db2.gz	AFYUEGVCCSUBQR-VIFPVBQESA-N	-1	0	223.659	2.415	10	30		BEEERM
CC(C)(C=O)c1c(F)cccc1C(=O)[O-]	ZINC000757122037	644864144	/nfs/dbraw/zinc/86/41/44/644864144.db2.gz	NYGCBONKZZLNCW-UHFFFAOYSA-N	-1	0	210.204	2.000	10	30		BEEERM
C#C[C@H](CC)Nc1nc(Cl)ccc1C(=O)[O-]	ZINC000229995816	711840052	/nfs/dbraw/zinc/84/00/52/711840052.db2.gz	WOZPNWLFNZOCII-SSDOTTSWSA-N	-1	0	238.674	2.257	10	30		BEEERM
CC(C)[C@H]1CC[C@H](C)CC1=NNCC(=O)[O-]	ZINC000378713291	712358875	/nfs/dbraw/zinc/35/88/75/712358875.db2.gz	VXURBNXDTAGBCG-VHSXEESVSA-N	-1	0	226.320	2.109	10	30		BEEERM
CC(C)[C@@H]1CC[C@@H](C)CC1=NNCC(=O)[O-]	ZINC000378713292	712358855	/nfs/dbraw/zinc/35/88/55/712358855.db2.gz	VXURBNXDTAGBCG-ZJUUUORDSA-N	-1	0	226.320	2.109	10	30		BEEERM
N#CC1(COc2ccc(C(=O)[O-])cc2)CC1	ZINC000691553803	976368214	/nfs/dbraw/zinc/36/82/14/976368214.db2.gz	NNBQJCHAZHCQJF-UHFFFAOYSA-N	-1	0	217.224	2.067	10	30		BEEERM
COCC#CCSc1ccc(C(=O)[O-])cc1	ZINC000694630237	976704956	/nfs/dbraw/zinc/70/49/56/976704956.db2.gz	ONYVXLWBCGAEIG-UHFFFAOYSA-N	-1	0	236.292	2.127	10	30		BEEERM
C[C@@H](CCC#N)S[C@@H](C)CC(=O)[O-]	ZINC000695809083	976805169	/nfs/dbraw/zinc/80/51/69/976805169.db2.gz	KGZFZBAWUYUNRN-YUMQZZPRSA-N	-1	0	201.291	2.275	10	30		BEEERM
C#CCCCSCC(C)(C)C(=O)[O-]	ZINC000700234787	976939983	/nfs/dbraw/zinc/93/99/83/976939983.db2.gz	AEDXQAKGFLPMKE-UHFFFAOYSA-N	-1	0	200.303	2.244	10	30		BEEERM
C[C@@H](CC#N)N(C)Cc1cc(C(=O)[O-])cs1	ZINC000711376565	977537283	/nfs/dbraw/zinc/53/72/83/977537283.db2.gz	DEQZAEWHFOWGFK-QMMMGPOBSA-N	-1	0	238.312	2.180	10	30		BEEERM
Cc1cc(C#N)cc(NCC(C)(C)CC(=O)[O-])n1	ZINC000720867730	978071442	/nfs/dbraw/zinc/07/14/42/978071442.db2.gz	KEGMCPGFCDXBND-UHFFFAOYSA-N	-1	0	247.298	2.175	10	30		BEEERM
CC#CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000721041675	978092303	/nfs/dbraw/zinc/09/23/03/978092303.db2.gz	BTKYMAZZXLIAJV-UHFFFAOYSA-N	-1	0	248.238	2.037	10	30		BEEERM
CCc1cc(C#N)c(C(=O)[O-])cc1Cl	ZINC000306649793	361845741	/nfs/dbraw/zinc/84/57/41/361845741.db2.gz	HAHDDHWCPHWTLL-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
COc1ccc2c(c1)C([O-])=C(C=O)CC2	ZINC000146535082	343075882	/nfs/dbraw/zinc/07/58/82/343075882.db2.gz	OTLFSQDPWQPVJL-VQHVLOKHSA-N	-1	0	204.225	2.266	10	30		BEEERM
O=CC1=C([O-])c2cc(Br)ccc2C1	ZINC000214448089	537782531	/nfs/dbraw/zinc/78/25/31/537782531.db2.gz	VSCVLJUXIUNKKL-SSDOTTSWSA-N	-1	0	239.068	2.003	10	30		BEEERM
C[C@H](C#N)Sc1cccc(C(=O)[O-])c1	ZINC000069977741	343945528	/nfs/dbraw/zinc/94/55/28/343945528.db2.gz	MFPOVTRXSLASHB-SSDOTTSWSA-N	-1	0	207.254	2.389	10	30		BEEERM
Cc1cccc(C#CC(=O)[O-])c1Br	ZINC000235769352	344130411	/nfs/dbraw/zinc/13/04/11/344130411.db2.gz	VMRVLUAAMOYFIS-UHFFFAOYSA-N	-1	0	239.068	2.194	10	30		BEEERM
C/C(=N\NCC/C=C/c1ccccc1)C(=O)[O-]	ZINC000029224393	344508929	/nfs/dbraw/zinc/50/89/29/344508929.db2.gz	DBIFOORDCUFAGL-LJFSNBBUSA-N	-1	0	232.283	2.140	10	30		BEEERM
N#Cc1c(OC(F)(F)F)cccc1C(=O)[O-]	ZINC000396085745	344597654	/nfs/dbraw/zinc/59/76/54/344597654.db2.gz	NFSIPUHGDUYLQN-UHFFFAOYSA-N	-1	0	231.129	2.155	10	30		BEEERM
N#Cc1cc(C=O)c(C(=O)[O-])cc1C(F)F	ZINC000396145541	344619247	/nfs/dbraw/zinc/61/92/47/344619247.db2.gz	HZZJYYTWAUUGCU-UHFFFAOYSA-N	-1	0	225.150	2.007	10	30		BEEERM
Cc1cc(C#N)c(C(=O)[O-])c(OC(F)F)c1	ZINC000396150055	344623325	/nfs/dbraw/zinc/62/33/25/344623325.db2.gz	AHLFHTUTXBKLGF-UHFFFAOYSA-N	-1	0	227.166	2.166	10	30		BEEERM
Cc1c(CC(=O)[O-])ccc(C#N)c1C(F)F	ZINC000396150161	344623368	/nfs/dbraw/zinc/62/33/68/344623368.db2.gz	JTFQYXIWMVVJQK-UHFFFAOYSA-N	-1	0	225.194	2.431	10	30		BEEERM
COc1cc(C#N)cc(C(F)F)c1C(=O)[O-]	ZINC000396156035	344627525	/nfs/dbraw/zinc/62/75/25/344627525.db2.gz	HWJJSQWRXOPCKR-UHFFFAOYSA-N	-1	0	227.166	2.203	10	30		BEEERM
CCc1c(C)ccc(CC(=O)[O-])c1C#N	ZINC000396160424	344633405	/nfs/dbraw/zinc/63/34/05/344633405.db2.gz	MUVWXJSOEBGWBI-UHFFFAOYSA-N	-1	0	203.241	2.056	10	30		BEEERM
N#Cc1cccc(C2CCN(C(=O)[O-])CC2)c1	ZINC000231443892	344742578	/nfs/dbraw/zinc/74/25/78/344742578.db2.gz	UBTFUSQGMXATPE-UHFFFAOYSA-N	-1	0	230.267	2.416	10	30		BEEERM
N#Cc1c(C=O)cc(C(F)(F)F)cc1C(=O)[O-]	ZINC000514271921	344910423	/nfs/dbraw/zinc/91/04/23/344910423.db2.gz	MRQRUCFWHYQYJP-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1c(OC(F)(F)F)cc(F)cc1C(=O)[O-]	ZINC000514272104	344910447	/nfs/dbraw/zinc/91/04/47/344910447.db2.gz	BBTBKGWHORYVAL-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
Cc1cc(C(=O)[O-])c(C#N)cc1OC(F)(F)F	ZINC000514271952	344910609	/nfs/dbraw/zinc/91/06/09/344910609.db2.gz	UBCPTAJOZRGXAP-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
COc1c(C#N)ccc(C(=O)[O-])c1C(F)(F)F	ZINC000514272296	344910664	/nfs/dbraw/zinc/91/06/64/344910664.db2.gz	ALUAJFZLOIKCMU-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
N#Cc1ccc(OC(F)(F)F)cc1CC(=O)[O-]	ZINC000514275823	344911858	/nfs/dbraw/zinc/91/18/58/344911858.db2.gz	VXIOPNPVGCSJLE-UHFFFAOYSA-N	-1	0	245.156	2.084	10	30		BEEERM
COc1ccc(CC(=O)[O-])c(C#N)c1C(F)F	ZINC000514276426	344912005	/nfs/dbraw/zinc/91/20/05/344912005.db2.gz	ZMRBPIIRXOZQKW-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
C#C[C@H](C)Oc1ccc(C(=O)[O-])cc1Cl	ZINC000235568121	344944195	/nfs/dbraw/zinc/94/41/95/344944195.db2.gz	ZWDBGXMHSHSADV-ZETCQYMHSA-N	-1	0	224.643	2.439	10	30		BEEERM
Cc1cccc(-c2ncc(C#N)c(=O)[n-]2)c1	ZINC000071518107	178998555	/nfs/dbraw/zinc/99/85/55/178998555.db2.gz	UTYPDSXSHQAEDJ-UHFFFAOYSA-N	-1	0	211.224	2.029	10	30		BEEERM
CC(=O)N(O)c1cccc(C(F)(F)F)c1	ZINC000196414880	347879664	/nfs/dbraw/zinc/87/96/64/347879664.db2.gz	GXACYMVEWZUHAC-UHFFFAOYSA-N	-1	0	219.162	2.448	10	30		BEEERM
N#C[C@@]1(C(=O)[O-])CCC[C@H](C(F)(F)F)C1	ZINC000725244581	537998681	/nfs/dbraw/zinc/99/86/81/537998681.db2.gz	JYSBGNUPZFQWJT-POYBYMJQSA-N	-1	0	221.178	2.333	10	30		BEEERM
N#C[C@@]1(C(=O)[O-])CCC[C@@H](C(F)(F)F)C1	ZINC000725244580	537998695	/nfs/dbraw/zinc/99/86/95/537998695.db2.gz	JYSBGNUPZFQWJT-HTRCEHHLSA-N	-1	0	221.178	2.333	10	30		BEEERM
C=CCc1cc(/C=C/C(=O)[O-])ccc1O	ZINC000072113080	187424540	/nfs/dbraw/zinc/42/45/40/187424540.db2.gz	MAYTXVQHJNLZKO-FNORWQNLSA-N	-1	0	204.225	2.219	10	30		BEEERM
N#Cc1ccc([C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000616609537	350803419	/nfs/dbraw/zinc/80/34/19/350803419.db2.gz	BNCUVRFMKMSZOW-NSHDSACASA-N	-1	0	216.240	2.026	10	30		BEEERM
N#Cc1cc([O-])cc(F)c1Br	ZINC000306741830	350932094	/nfs/dbraw/zinc/93/20/94/350932094.db2.gz	FBYKDUFUURAVPS-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
COC(=O)c1cc(C#N)c([S-])cc1Cl	ZINC000306711976	350872767	/nfs/dbraw/zinc/87/27/67/350872767.db2.gz	YKJLVZFHJIKTET-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
N#Cc1ccc(Cl)cc1OCCCC(=O)[O-]	ZINC000128904013	350887925	/nfs/dbraw/zinc/88/79/25/350887925.db2.gz	QOUYCYBOHRAEAV-UHFFFAOYSA-N	-1	0	239.658	2.455	10	30		BEEERM
C=C(c1cccnc1C(=O)[O-])C(F)(F)F	ZINC000306725515	350895564	/nfs/dbraw/zinc/89/55/64/350895564.db2.gz	KOGOPPPYIZFEBJ-UHFFFAOYSA-N	-1	0	217.146	2.355	10	30		BEEERM
Cc1ccc(C(=O)[O-])c(C#N)c1Br	ZINC000307156244	351507350	/nfs/dbraw/zinc/50/73/50/351507350.db2.gz	NIDIGQGNCNDQRO-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
CCc1ccc(C#N)c(Cl)c1C(=O)[O-]	ZINC000307163877	351529577	/nfs/dbraw/zinc/52/95/77/351529577.db2.gz	MDOKCENHWQBUTC-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
N#Cc1c(=O)[n-]sc1NC1CCCC1	ZINC000307165864	351532103	/nfs/dbraw/zinc/53/21/03/351532103.db2.gz	MYDUDMCCLXZDHT-UHFFFAOYSA-N	-1	0	209.274	2.075	10	30		BEEERM
N#CC1(C(=O)[O-])CC(OCc2cccc(F)c2)C1	ZINC000606302781	351558481	/nfs/dbraw/zinc/55/84/81/351558481.db2.gz	WBOCADCULRXVEI-UHFFFAOYSA-N	-1	0	249.241	2.099	10	30		BEEERM
CC[C@@H](C)[C@@H](C#N)c1nc(C(=O)[O-])cs1	ZINC000150335767	323943264	/nfs/dbraw/zinc/94/32/64/323943264.db2.gz	GKFXGKIBVFDKBP-RNFRBKRXSA-N	-1	0	224.285	2.495	10	30		BEEERM
CCc1cc(C#N)cc(C(=O)[O-])c1Cl	ZINC000307077313	353053563	/nfs/dbraw/zinc/05/35/63/353053563.db2.gz	LXHJLIDHKLVLPK-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
N#Cc1cccc(-c2cc(C(=O)[O-])c[nH]c2=O)c1	ZINC000065347159	188129742	/nfs/dbraw/zinc/12/97/42/188129742.db2.gz	HJXIPGUXPUPTOU-UHFFFAOYSA-N	-1	0	240.218	2.024	10	30		BEEERM
C=C(Cl)C[N@H+]1CCCC(C)(C)[C@H]1C(=O)[O-]	ZINC000232801636	353508174	/nfs/dbraw/zinc/50/81/74/353508174.db2.gz	GDEKMCSLQHUXDE-SECBINFHSA-N	-1	0	231.723	2.314	10	30		BEEERM
N#C[C@@H](CC(=O)[O-])c1cccc(Cl)c1	ZINC000057496015	181054529	/nfs/dbraw/zinc/05/45/29/181054529.db2.gz	VVVQYTLDHDEJIO-MRVPVSSYSA-N	-1	0	209.632	2.422	10	30		BEEERM
N#C[C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000049815478	181054806	/nfs/dbraw/zinc/05/48/06/181054806.db2.gz	YGUSCJGGYGKTKZ-RXMQYKEDSA-N	-1	0	213.595	2.171	10	30		BEEERM
N#Cc1ccc(-c2cccc([N+](=O)[O-])c2)[n-]c1=O	ZINC000041602813	181094899	/nfs/dbraw/zinc/09/48/99/181094899.db2.gz	DQUNFHQIOLIVRJ-UHFFFAOYSA-N	-1	0	241.206	2.234	10	30		BEEERM
N#Cc1ccc(-c2ccc(C(=O)[O-])cn2)cc1	ZINC000065347166	181095322	/nfs/dbraw/zinc/09/53/22/181095322.db2.gz	BTIDMWGKJCRQDZ-UHFFFAOYSA-N	-1	0	224.219	2.318	10	30		BEEERM
N#Cc1ccc(N2CCCC[C@H]2C(=O)[O-])cc1	ZINC000019867224	181115251	/nfs/dbraw/zinc/11/52/51/181115251.db2.gz	PYRARVSQFVWBNO-LBPRGKRZSA-N	-1	0	230.267	2.002	10	30		BEEERM
N#Cc1cccc(-c2cccnc2C(=O)[O-])c1	ZINC000065347153	181133778	/nfs/dbraw/zinc/13/37/78/181133778.db2.gz	QYQLXBMTHTXEQN-UHFFFAOYSA-N	-1	0	224.219	2.318	10	30		BEEERM
N#Cc1ccc2[nH]cc(CCC(=O)[O-])c2c1	ZINC000038867343	181131785	/nfs/dbraw/zinc/13/17/85/181131785.db2.gz	AKWJKNNOUSXOMQ-UHFFFAOYSA-N	-1	0	214.224	2.057	10	30		BEEERM
N#Cc1ccnc(Oc2cccc(C(=O)[O-])c2)c1	ZINC000042415480	181157869	/nfs/dbraw/zinc/15/78/69/181157869.db2.gz	CEVDUCKDTVUUNS-UHFFFAOYSA-N	-1	0	240.218	2.444	10	30		BEEERM
CCC(/C=C/[C@@](C)(O)C1(C#N)CC1)=C/C(=O)[O-]	ZINC000584624106	358291871	/nfs/dbraw/zinc/29/18/71/358291871.db2.gz	UJMUPTWOVVJTQJ-DZLBYDKASA-N	-1	0	235.283	2.018	10	30		BEEERM
CCCC(/C=C/[C@](C)(O)C1(C#N)CC1)=C/C(=O)[O-]	ZINC000584624124	358292134	/nfs/dbraw/zinc/29/21/34/358292134.db2.gz	YNBWAJKMDGYTOB-RZBYIRMUSA-N	-1	0	249.310	2.408	10	30		BEEERM
N#CCc1ccc(F)c([O-])c1Br	ZINC000306197174	359025084	/nfs/dbraw/zinc/02/50/84/359025084.db2.gz	OLSWQDOTWRKOEO-UHFFFAOYSA-N	-1	0	230.036	2.360	10	30		BEEERM
C/C(=N/N)c1ccc(Cl)c(Cl)c1[O-]	ZINC000306291495	359527711	/nfs/dbraw/zinc/52/77/11/359527711.db2.gz	SUOJQNPVFJREOY-QCDXTXTGSA-N	-1	0	219.071	2.382	10	30		BEEERM
C[C@@H](SCC#CC(C)(C)C)C(=O)[O-]	ZINC000300722640	360415761	/nfs/dbraw/zinc/41/57/61/360415761.db2.gz	CFHHJXXRLQIDKL-MRVPVSSYSA-N	-1	0	200.303	2.242	10	30		BEEERM
N#Cc1cc(Cl)c(CC(=O)[O-])cc1Cl	ZINC000306582657	360483806	/nfs/dbraw/zinc/48/38/06/360483806.db2.gz	CQQBKPCWOSMONS-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
N#Cc1ccc(Oc2cc(C(=O)[O-])ccn2)cc1	ZINC000019812972	219814406	/nfs/dbraw/zinc/81/44/06/219814406.db2.gz	BLBMTDBIMPKQIP-UHFFFAOYSA-N	-1	0	240.218	2.444	10	30		BEEERM
Cc1nc(S[C@@H](C)C#N)sc1C(=O)[O-]	ZINC000070598437	361580504	/nfs/dbraw/zinc/58/05/04/361580504.db2.gz	GCTKNLBRERMGDL-BYPYZUCNSA-N	-1	0	228.298	2.154	10	30		BEEERM
O=C([O-])/C(F)=C(\F)[C@](F)(CF)C(F)(F)F	ZINC000071602825	368410388	/nfs/dbraw/zinc/41/03/88/368410388.db2.gz	CKWJFJONYPNEKI-WVSAJJKCSA-N	-1	0	240.074	2.462	10	30		BEEERM
N#CCc1c([O-])c(Br)ccc1F	ZINC000216657940	371784790	/nfs/dbraw/zinc/78/47/90/371784790.db2.gz	GRISGZKXLUZPKX-UHFFFAOYSA-N	-1	0	230.036	2.360	10	30		BEEERM
N#CC(C#N)=C([O-])c1sccc1Cl	ZINC000162989107	371903775	/nfs/dbraw/zinc/90/37/75/371903775.db2.gz	OUDLUMQMRPQKBI-UHFFFAOYSA-N	-1	0	210.645	2.248	10	30		BEEERM
CC(C)(C)c1ccccc1C#CC(=O)[O-]	ZINC000133018240	371969347	/nfs/dbraw/zinc/96/93/47/371969347.db2.gz	JTPJULILMZQARM-UHFFFAOYSA-N	-1	0	202.253	2.420	10	30		BEEERM
CCCCc1ccc(C#CC(=O)[O-])cc1	ZINC000041211027	169018892	/nfs/dbraw/zinc/01/88/92/169018892.db2.gz	IXKONDAHYSPCQK-UHFFFAOYSA-N	-1	0	202.253	2.465	10	30		BEEERM
Cc1cccc(S(=O)(=O)[N-]C(=O)C2CC2)c1	ZINC000048505701	383855893	/nfs/dbraw/zinc/85/58/93/383855893.db2.gz	YMISIOYMIBRLAT-UHFFFAOYSA-N	-1	0	239.296	2.050	10	30		BEEERM
C/C(=N\N)c1cc(Cl)cc(Cl)c1[O-]	ZINC000000152455	383832605	/nfs/dbraw/zinc/83/26/05/383832605.db2.gz	CASVZNKXIBRZOU-UUILKARUSA-N	-1	0	219.071	2.382	10	30		BEEERM
[O-]/N=C\c1ccc(Br)c(F)c1	ZINC000072265894	384203594	/nfs/dbraw/zinc/20/35/94/384203594.db2.gz	BWRQWJFKAYMQSH-WMZJFQQLSA-N	-1	0	218.025	2.396	10	30		BEEERM
CCOc1cccc(OCC)c1/C=N\[O-]	ZINC000100255072	384629145	/nfs/dbraw/zinc/62/91/45/384629145.db2.gz	NSFQLIBFZRBENR-WQLSENKSSA-N	-1	0	209.245	2.292	10	30		BEEERM
Cc1ccc(Br)c([O-])c1C#N	ZINC000257981106	385522001	/nfs/dbraw/zinc/52/20/01/385522001.db2.gz	FFAGLXQDYGHCPG-UHFFFAOYSA-N	-1	0	212.046	2.335	10	30		BEEERM
CSc1ccc(C(=O)/C=C/C(=O)[O-])cc1	ZINC000058017717	385946724	/nfs/dbraw/zinc/94/67/24/385946724.db2.gz	ZTLRPBOYSKIWJA-VOTSOKGWSA-N	-1	0	222.265	2.232	10	30		BEEERM
CCOc1c(C#N)cc([S-])cc1CC#N	ZINC000575644020	386582329	/nfs/dbraw/zinc/58/23/29/386582329.db2.gz	FVHVMGQTFWOIHH-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
Cc1cc(Br)cc(C#N)c1C(=O)[O-]	ZINC000307400731	386608753	/nfs/dbraw/zinc/60/87/53/386608753.db2.gz	AGHDGRBXIASBEJ-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
COc1ccc(C(F)F)c(CC(=O)[O-])c1C#N	ZINC000575343644	386690453	/nfs/dbraw/zinc/69/04/53/386690453.db2.gz	UZJJLVHVFJJZKO-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
COc1ccc(C#N)c(CC(=O)[O-])c1C(F)F	ZINC000575343534	386690517	/nfs/dbraw/zinc/69/05/17/386690517.db2.gz	FZLGRLZXRJTOJQ-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1cc(CC(=O)[O-])c(F)cc1C(F)(F)F	ZINC000575344870	386711959	/nfs/dbraw/zinc/71/19/59/386711959.db2.gz	DSRVWDJRRCRWJP-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1cc(CC(=O)[O-])cc(F)c1C(F)(F)F	ZINC000575344991	386712359	/nfs/dbraw/zinc/71/23/59/386712359.db2.gz	MGPSRPSPEORKIE-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1cc(F)c(C(F)(F)F)c(CC(=O)[O-])c1	ZINC000575344990	386712370	/nfs/dbraw/zinc/71/23/70/386712370.db2.gz	METYSXFORXDIGN-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1cc(F)c(CC(=O)[O-])c(C(F)(F)F)c1	ZINC000575344898	386712383	/nfs/dbraw/zinc/71/23/83/386712383.db2.gz	GZAHNARGHVAZFN-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1ccc(C(F)F)c([N+](=O)[O-])c1C(=O)[O-]	ZINC000575389158	386953274	/nfs/dbraw/zinc/95/32/74/386953274.db2.gz	AZMDKEVWMLTUGG-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
COC(=O)c1ccc([O-])c(C(F)(F)F)c1C#N	ZINC000575392325	386963324	/nfs/dbraw/zinc/96/33/24/386963324.db2.gz	SJJXIHNMADXXHI-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
Cc1c(C#N)c(OC(F)(F)F)ccc1C(=O)[O-]	ZINC000575395240	386996406	/nfs/dbraw/zinc/99/64/06/386996406.db2.gz	ZKSDNFMTLWWIDA-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
COc1c(C#N)cc(C(F)(F)F)cc1C(=O)[O-]	ZINC000575395070	386997117	/nfs/dbraw/zinc/99/71/17/386997117.db2.gz	VYJRNFXMFREXTO-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
Cc1c(C#N)cc(OC(F)F)cc1CC(=O)[O-]	ZINC000575388591	386951908	/nfs/dbraw/zinc/95/19/08/386951908.db2.gz	ZDOLCWSODXKCJU-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1c(Br)csc1C(=O)[O-]	ZINC000575442674	387145476	/nfs/dbraw/zinc/14/54/76/387145476.db2.gz	AKEKHJAUYBFGBP-UHFFFAOYSA-N	-1	0	232.058	2.080	10	30		BEEERM
C=C(C)Cn1cc(C(=O)[O-])c2cccnc21	ZINC000211805788	387615015	/nfs/dbraw/zinc/61/50/15/387615015.db2.gz	CYJYJHZUNPWHKR-UHFFFAOYSA-N	-1	0	216.240	2.311	10	30		BEEERM
CCOc1cc([S-])cc(C#N)c1CC#N	ZINC000575647506	387884189	/nfs/dbraw/zinc/88/41/89/387884189.db2.gz	QZFXFMKRSZJMDW-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
CCc1c(C#N)ccc(CC#N)c1[S-]	ZINC000575648820	387885455	/nfs/dbraw/zinc/88/54/55/387885455.db2.gz	YKZFXTOHFQNNJW-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
C=CCn1cc(C(=O)[O-])c(=O)c2cc(F)ccc21	ZINC000070460668	388437313	/nfs/dbraw/zinc/43/73/13/388437313.db2.gz	LNNGCXONSIVHDJ-UHFFFAOYSA-N	-1	0	247.225	2.025	10	30		BEEERM
N#Cc1cc(OC(F)(F)F)c(F)c(C(=O)[O-])c1	ZINC000575390382	388573232	/nfs/dbraw/zinc/57/32/32/388573232.db2.gz	GXJVTBWCUGXPOY-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
C[C@@]1(C(=O)[O-])CCCN(c2ccc(C#N)cc2)C1	ZINC000062874645	132388424	/nfs/dbraw/zinc/38/84/24/132388424.db2.gz	DXDHNNNKRVPRLZ-CQSZACIVSA-N	-1	0	244.294	2.249	10	30		BEEERM
[O-]N=Cc1cc2ncc(Br)cc2o1	ZINC000256005764	135130606	/nfs/dbraw/zinc/13/06/06/135130606.db2.gz	UZOITHUMKJACJG-UHFFFAOYSA-N	-1	0	241.044	2.398	10	30		BEEERM
C#CCOc1cc(C(=O)[O-])cc2occc21	ZINC000073739619	166197917	/nfs/dbraw/zinc/19/79/17/166197917.db2.gz	RVCWEHRVONATIA-UHFFFAOYSA-N	-1	0	216.192	2.143	10	30		BEEERM
C=CCCOCCOc1ccc(C(=O)[O-])cc1	ZINC000035731762	166270605	/nfs/dbraw/zinc/27/06/05/166270605.db2.gz	DVLLDJVTGQFTFY-UHFFFAOYSA-N	-1	0	236.267	2.356	10	30		BEEERM
C=CCN(C(=O)c1ccccc1C(=O)[O-])C(C)C	ZINC000037834091	166313228	/nfs/dbraw/zinc/31/32/28/166313228.db2.gz	XNIIDTNNEZNCJF-UHFFFAOYSA-N	-1	0	247.294	2.421	10	30		BEEERM
CC(C)(C#N)Nc1cccc(C(=O)[O-])c1	ZINC000026480784	166502996	/nfs/dbraw/zinc/50/29/96/166502996.db2.gz	GJTNFSOFTLJFSP-UHFFFAOYSA-N	-1	0	204.229	2.099	10	30		BEEERM
CCOC(=O)c1cc(CC(C)C)[n-]c(=O)c1C#N	ZINC000095218328	170291368	/nfs/dbraw/zinc/29/13/68/170291368.db2.gz	FIUANZMYYAKNAE-UHFFFAOYSA-N	-1	0	248.282	2.034	10	30		BEEERM
CN(CCC(=O)[O-])c1ccc(C#N)cc1Cl	ZINC000062790443	172671517	/nfs/dbraw/zinc/67/15/17/172671517.db2.gz	IWUUNWUKNRSKEX-UHFFFAOYSA-N	-1	0	238.674	2.123	10	30		BEEERM
C[C@H](CC#N)N(C)c1ccc(F)cc1C(=O)[O-]	ZINC000063087136	176596098	/nfs/dbraw/zinc/59/60/98/176596098.db2.gz	JCQOJFWNJIOHRV-MRVPVSSYSA-N	-1	0	236.246	2.262	10	30		BEEERM
COc1ccc(/C(Cl)=N/[O-])cc1F	ZINC000149441803	523365908	/nfs/dbraw/zinc/36/59/08/523365908.db2.gz	DTSYHJRTWLCQJV-FLIBITNWSA-N	-1	0	203.600	2.209	10	30		BEEERM
C=C[C@@H](SCc1occc1C)C(=O)[O-]	ZINC000757163617	582545091	/nfs/dbraw/zinc/54/50/91/582545091.db2.gz	DEWKTJRVKODMLS-SECBINFHSA-N	-1	0	212.270	2.460	10	30		BEEERM
C[C@H](C#N)SCc1ccc(C(=O)[O-])o1	ZINC000757147211	586425893	/nfs/dbraw/zinc/42/58/93/586425893.db2.gz	WZMIJQFCZLROJL-ZCFIWIBFSA-N	-1	0	211.242	2.123	10	30		BEEERM
C#CCN(CC)c1ccc(C(=O)[O-])cc1C	ZINC000130206117	591449005	/nfs/dbraw/zinc/44/90/05/591449005.db2.gz	XQCHWWQFGHEKBP-UHFFFAOYSA-N	-1	0	217.268	2.153	10	30		BEEERM
C#C[C@@H](C)Nc1ccc(C(=O)[O-])cc1C	ZINC000166865903	640682960	/nfs/dbraw/zinc/68/29/60/640682960.db2.gz	DHZVYFPJKNNPHS-SECBINFHSA-N	-1	0	203.241	2.127	10	30		BEEERM
C#C[C@H](C)Nc1ccc(C(=O)[O-])cc1C	ZINC000166865798	640683009	/nfs/dbraw/zinc/68/30/09/640683009.db2.gz	DHZVYFPJKNNPHS-VIFPVBQESA-N	-1	0	203.241	2.127	10	30		BEEERM
C#C[C@@H](CC)Nc1cc(C(=O)[O-])cc(Cl)n1	ZINC000229996488	641002688	/nfs/dbraw/zinc/00/26/88/641002688.db2.gz	SZXNOPWNDRQYQJ-QMMMGPOBSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#C[C@@H](CC)Nc1c(F)cccc1C(=O)[O-]	ZINC000229996331	641002733	/nfs/dbraw/zinc/00/27/33/641002733.db2.gz	BIZOWJXIUINJCD-QMMMGPOBSA-N	-1	0	221.231	2.348	10	30		BEEERM
CCCCCCCC(=O)NC/C=C(/C)C(=O)[O-]	ZINC000692447937	976484594	/nfs/dbraw/zinc/48/45/94/976484594.db2.gz	CDPOLWTXHBBQMF-LUAWRHEFSA-N	-1	0	241.331	2.494	10	30		BEEERM
C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@](C)(C#N)C1	ZINC000694562009	976699298	/nfs/dbraw/zinc/69/92/98/976699298.db2.gz	YXVIFDRYPMIXLN-NOZJJQNGSA-N	-1	0	248.282	2.274	10	30		BEEERM
N#Cc1ccc(N[C@@H]2CC=C(C(=O)[O-])C2)c(F)c1	ZINC000694981095	976763160	/nfs/dbraw/zinc/76/31/60/976763160.db2.gz	SWSXZVFZFNGVBK-SNVBAGLBSA-N	-1	0	246.241	2.283	10	30		BEEERM
C[C@H](CCC#N)SC[C@H](C)C(=O)[O-]	ZINC000695809085	976805181	/nfs/dbraw/zinc/80/51/81/976805181.db2.gz	KHFZFGKMHZDQCC-JGVFFNPUSA-N	-1	0	201.291	2.133	10	30		BEEERM
Cc1cc([O-])c(C(=O)/C=C/c2ccco2)c(=O)o1	ZINC000037637986	178193287	/nfs/dbraw/zinc/19/32/87/178193287.db2.gz	JOKYBSHKGJXSGH-SNAWJCMRSA-N	-1	0	246.218	2.143	10	30		BEEERM
O=C([O-])C#Cc1cc(F)cc(Br)c1	ZINC000070835673	361780035	/nfs/dbraw/zinc/78/00/35/361780035.db2.gz	VOMWKPCYEBGEOC-UHFFFAOYSA-N	-1	0	243.031	2.024	10	30		BEEERM
O=C([O-])C#Cc1c(F)cccc1Br	ZINC000165066799	342873575	/nfs/dbraw/zinc/87/35/75/342873575.db2.gz	YVEPWMLYWPNZOU-UHFFFAOYSA-N	-1	0	243.031	2.024	10	30		BEEERM
C=C(C)C[S@@](=O)C=C([O-])c1ccccc1	ZINC000526883998	343260635	/nfs/dbraw/zinc/26/06/35/343260635.db2.gz	GGRGWUCEJNJQOE-OAHLLOKOSA-N	-1	0	222.309	2.194	10	30		BEEERM
C#CC(C)(C)Oc1ccc([N+](=O)[O-])c([O-])c1	ZINC000205137121	343618344	/nfs/dbraw/zinc/61/83/44/343618344.db2.gz	OYQOLNRLTURFDZ-UHFFFAOYSA-N	-1	0	221.212	2.091	10	30		BEEERM
N#Cc1cc(C=O)cc(C(F)(F)F)c1C(=O)[O-]	ZINC000514271637	343651922	/nfs/dbraw/zinc/65/19/22/343651922.db2.gz	ZQDBINJWFBWPDT-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
C[C@H](C(=O)[O-])c1ccc(C#N)c(Cl)c1	ZINC000205012381	343696575	/nfs/dbraw/zinc/69/65/75/343696575.db2.gz	ZCESPJQJSXQBNX-LURJTMIESA-N	-1	0	209.632	2.400	10	30		BEEERM
N#Cc1cc(C(F)F)cc(F)c1CC(=O)[O-]	ZINC000396152794	344625185	/nfs/dbraw/zinc/62/51/85/344625185.db2.gz	NCVLQWXESVINIL-UHFFFAOYSA-N	-1	0	229.157	2.262	10	30		BEEERM
N#Cc1c(C(=O)[O-])cc(F)cc1C(F)F	ZINC000396164051	344635377	/nfs/dbraw/zinc/63/53/77/344635377.db2.gz	QRHMHWUIRKJZIP-UHFFFAOYSA-N	-1	0	215.130	2.333	10	30		BEEERM
CCc1cc(C)c(C#N)c(CC(=O)[O-])c1	ZINC000396164175	344635426	/nfs/dbraw/zinc/63/54/26/344635426.db2.gz	QZFQQZNEQXGZAW-UHFFFAOYSA-N	-1	0	203.241	2.056	10	30		BEEERM
COc1cc(C(=O)[O-])cc(C(F)(F)F)c1C#N	ZINC000514271924	344910411	/nfs/dbraw/zinc/91/04/11/344910411.db2.gz	NFQHSUBORIWXTM-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
Cc1c(C(=O)[O-])ccc(C#N)c1OC(F)(F)F	ZINC000514272319	344910432	/nfs/dbraw/zinc/91/04/32/344910432.db2.gz	FOKFUCQPULFZIR-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
CCc1ccc(OC(F)F)c(C#N)c1C(=O)[O-]	ZINC000514271798	344910564	/nfs/dbraw/zinc/91/05/64/344910564.db2.gz	YKXBNWBPDPCWKW-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
COc1c(C(=O)[O-])ccc(C#N)c1C(F)(F)F	ZINC000514272345	344911108	/nfs/dbraw/zinc/91/11/08/344911108.db2.gz	KWVZOKBQFBKSBC-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
C=C(C)[C@H](Nc1ccccc1C)C(=O)[O-]	ZINC000158896477	345770068	/nfs/dbraw/zinc/77/00/68/345770068.db2.gz	PFXZGQINBIWSDW-NSHDSACASA-N	-1	0	205.257	2.436	10	30		BEEERM
Cc1cccc(F)c1NC(=S)[N-]C#N	ZINC000149250954	346097949	/nfs/dbraw/zinc/09/79/49/346097949.db2.gz	KPTPCEDQQTUHFJ-UHFFFAOYSA-N	-1	0	209.249	2.313	10	30		BEEERM
Cc1csc(/C(=N\[O-])c2csc(C)n2)n1	ZINC000101272903	179762325	/nfs/dbraw/zinc/76/23/25/179762325.db2.gz	CDZGZYLUATTZSQ-WQLSENKSSA-N	-1	0	239.325	2.443	10	30		BEEERM
Cc1c(Cl)c(C#N)ccc1CC(=O)[O-]	ZINC000137024878	351267713	/nfs/dbraw/zinc/26/77/13/351267713.db2.gz	UCXKKUYJHJALKA-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
N#Cc1cc(Cl)c(CC(=O)[O-])c(Cl)c1	ZINC000307038181	351436307	/nfs/dbraw/zinc/43/63/07/351436307.db2.gz	HTKOICGALGBAIQ-UHFFFAOYSA-N	-1	0	230.050	2.492	10	30		BEEERM
N#CC1(C(=O)[O-])CC(OCc2ccc(F)cc2)C1	ZINC000606302222	351554633	/nfs/dbraw/zinc/55/46/33/351554633.db2.gz	ITXAJZSQZMKCRU-UHFFFAOYSA-N	-1	0	249.241	2.099	10	30		BEEERM
COC(=O)c1ccc(Cl)c([S-])c1C#N	ZINC000307306065	351932530	/nfs/dbraw/zinc/93/25/30/351932530.db2.gz	SNPSVIBDWNZVHL-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
COC(=O)c1cc(Cl)cc(C#N)c1[S-]	ZINC000307330722	352032259	/nfs/dbraw/zinc/03/22/59/352032259.db2.gz	NZRFVMNDKQREDQ-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
N#Cc1ccc(Cl)c(/C=C/C(=O)[O-])c1	ZINC000307446781	352602204	/nfs/dbraw/zinc/60/22/04/352602204.db2.gz	HRTHHDDVXLGKNW-DUXPYHPUSA-N	-1	0	207.616	2.309	10	30		BEEERM
COC(=O)c1cc([S-])c(Cl)c(C#N)c1	ZINC000307464286	352614580	/nfs/dbraw/zinc/61/45/80/352614580.db2.gz	LGSNNIIAAWSSES-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
C/C(=N\[O-])c1ccc(F)cc1O[C@H](C)C#N	ZINC000062748561	187784753	/nfs/dbraw/zinc/78/47/53/187784753.db2.gz	PNLXBRCOMQRLQK-DMPRARNXSA-N	-1	0	222.219	2.315	10	30		BEEERM
Cc1ccc(Cl)c(C#N)c1CC(=O)[O-]	ZINC000307528656	352634935	/nfs/dbraw/zinc/63/49/35/352634935.db2.gz	KUFZMSKIGHEJNQ-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
N#Cc1ccc(C(F)(F)F)cc1C(=O)[O-]	ZINC000223001360	353111560	/nfs/dbraw/zinc/11/15/60/353111560.db2.gz	HHLOYYAJPWMHOF-UHFFFAOYSA-N	-1	0	215.130	2.275	10	30		BEEERM
C/C(C(=O)[O-])=C(/C)c1ccc(C#N)cc1	ZINC000232587205	353138913	/nfs/dbraw/zinc/13/89/13/353138913.db2.gz	BZUDDZDZMWPVNC-CMDGGOBGSA-N	-1	0	201.225	2.436	10	30		BEEERM
C/C(=N\OCC(=O)[O-])c1ccccc1Cl	ZINC000169344753	188078907	/nfs/dbraw/zinc/07/89/07/188078907.db2.gz	WNJPVXRFQWZFOE-KPKJPENVSA-N	-1	0	227.647	2.165	10	30		BEEERM
C=CCNc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000003601696	188118392	/nfs/dbraw/zinc/11/83/92/188118392.db2.gz	UPNBDHDPMYTOHW-VIFPVBQESA-N	-1	0	205.257	2.473	10	30		BEEERM
N#Cc1cccc(-c2ccc(C(=O)[O-])cn2)c1F	ZINC000065347707	188128991	/nfs/dbraw/zinc/12/89/91/188128991.db2.gz	CNOMHLUNTXOWJL-UHFFFAOYSA-N	-1	0	242.209	2.458	10	30		BEEERM
C=CCCC(=O)Nc1cc(C(=O)[O-])ccc1OC	ZINC000104204786	188174295	/nfs/dbraw/zinc/17/42/95/188174295.db2.gz	RVOCYZUYMQNRHB-UHFFFAOYSA-N	-1	0	249.266	2.298	10	30		BEEERM
C=CCC(=O)N1CCC(CCC)(C(=O)[O-])CC1	ZINC000062845157	188223992	/nfs/dbraw/zinc/22/39/92/188223992.db2.gz	ZCZFCTKSMUFEKF-UHFFFAOYSA-N	-1	0	239.315	2.056	10	30		BEEERM
N#Cc1ccc(-c2cc(F)ccc2F)[n-]c1=O	ZINC000043395189	181095556	/nfs/dbraw/zinc/09/55/56/181095556.db2.gz	YIIZIBGPRQJPQW-UHFFFAOYSA-N	-1	0	232.189	2.192	10	30		BEEERM
N#Cc1ccc(Br)c(C(=O)[O-])c1F	ZINC000075927120	181096385	/nfs/dbraw/zinc/09/63/85/181096385.db2.gz	RUHNKQLRGPGTDR-UHFFFAOYSA-N	-1	0	244.019	2.158	10	30		BEEERM
N#Cc1ccc(N2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000019867227	181115070	/nfs/dbraw/zinc/11/50/70/181115070.db2.gz	PYRARVSQFVWBNO-GFCCVEGCSA-N	-1	0	230.267	2.002	10	30		BEEERM
N#Cc1cccc(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])c1	ZINC000098090482	181136609	/nfs/dbraw/zinc/13/66/09/181136609.db2.gz	KFDRXXPMKDARCE-NWDGAFQWSA-N	-1	0	243.262	2.242	10	30		BEEERM
N#Cc1cccc(Oc2ccc(C(=O)[O-])cn2)c1	ZINC000019276847	181142866	/nfs/dbraw/zinc/14/28/66/181142866.db2.gz	QEVBVAHUWGUPDS-UHFFFAOYSA-N	-1	0	240.218	2.444	10	30		BEEERM
COC(=O)CCCC/C(=N/[O-])C(F)(F)F	ZINC000685939339	538886167	/nfs/dbraw/zinc/88/61/67/538886167.db2.gz	BBBUZANKVPQBFU-SDQBBNPISA-N	-1	0	227.182	2.112	10	30		BEEERM
C=CC[C@@H](Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000584614728	358279237	/nfs/dbraw/zinc/27/92/37/358279237.db2.gz	HGWTYRIAXWGOOW-JTQLQIEISA-N	-1	0	234.251	2.235	10	30		BEEERM
CCOC(=O)c1cc(/C=N/[O-])ccc1Cl	ZINC000584597706	358255493	/nfs/dbraw/zinc/25/54/93/358255493.db2.gz	YDSAXJYQJXAGBL-WUXMJOGZSA-N	-1	0	227.647	2.325	10	30		BEEERM
CC(/C=C/[C@@](C)(O)C1(C#N)CCC1)=C(\C)C(=O)[O-]	ZINC000584624018	358291706	/nfs/dbraw/zinc/29/17/06/358291706.db2.gz	NWUMJSVJXTVDPN-DXQSTKDCSA-N	-1	0	249.310	2.408	10	30		BEEERM
[O-]/N=C(\Cl)c1ncc(Cl)cc1F	ZINC000584647422	358332369	/nfs/dbraw/zinc/33/23/69/358332369.db2.gz	TUQDGFDCPIRFID-WDZFZDKYSA-N	-1	0	209.007	2.249	10	30		BEEERM
CC(C)(C)c1cc(C=O)c(O)c(/C=N/[O-])c1	ZINC000584636669	358321629	/nfs/dbraw/zinc/32/16/29/358321629.db2.gz	VUNNNCLXMFOWEL-AWNIVKPZSA-N	-1	0	221.256	2.310	10	30		BEEERM
Cc1ccc(Br)c(C(=O)[O-])c1C#N	ZINC000306324222	359607987	/nfs/dbraw/zinc/60/79/87/359607987.db2.gz	GAHXOMGMZCXPQD-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
C#CC(C)(C)Nc1ccc(C(=O)[O-])cc1	ZINC000069682865	359770512	/nfs/dbraw/zinc/77/05/12/359770512.db2.gz	WMJUUEHLXZTZHG-UHFFFAOYSA-N	-1	0	203.241	2.209	10	30		BEEERM
CC(C)(C)[C@H](C(=O)[O-])n1cccc1C#N	ZINC000306639907	361592959	/nfs/dbraw/zinc/59/29/59/361592959.db2.gz	OMMMRNRRWDLLLO-VIFPVBQESA-N	-1	0	206.245	2.032	10	30		BEEERM
N#Cc1cccc(/C=C/C(=O)[O-])c1Cl	ZINC000218198139	372080332	/nfs/dbraw/zinc/08/03/32/372080332.db2.gz	NZKHQXPLAXWQJW-SNAWJCMRSA-N	-1	0	207.616	2.309	10	30		BEEERM
Cc1c(C#N)c(=O)[n-]cc1C(=O)c1ccccc1	ZINC000072416515	384116836	/nfs/dbraw/zinc/11/68/36/384116836.db2.gz	IUMXKELKARDBHJ-UHFFFAOYSA-N	-1	0	238.246	2.198	10	30		BEEERM
Cc1[n-][nH]c(=O)c1N=Nc1cc(C)ccc1C	ZINC000005818222	384132884	/nfs/dbraw/zinc/13/28/84/384132884.db2.gz	VWBAPOLERWOFBD-UHFFFAOYSA-N	-1	0	230.271	2.417	10	30		BEEERM
N#Cc1c(N)[n-]c2c(Cl)cc(F)cc2c1=O	ZINC000521399194	384629346	/nfs/dbraw/zinc/62/93/46/384629346.db2.gz	NWKRWEWSORZVCG-UHFFFAOYSA-N	-1	0	237.621	2.017	10	30		BEEERM
N#Cc1cc2cc(C(=O)[O-])[nH]c2c(Cl)c1	ZINC000536960171	384807967	/nfs/dbraw/zinc/80/79/67/384807967.db2.gz	SZBCDVDYXMWECO-UHFFFAOYSA-N	-1	0	220.615	2.391	10	30		BEEERM
Cc1cc([O-])c(Br)cc1C#N	ZINC000258105617	385539283	/nfs/dbraw/zinc/53/92/83/385539283.db2.gz	RKMUQMNYCCFDEO-UHFFFAOYSA-N	-1	0	212.046	2.335	10	30		BEEERM
CCc1c(Cl)ccc(C(=O)[O-])c1C#N	ZINC000306760528	385712653	/nfs/dbraw/zinc/71/26/53/385712653.db2.gz	WKAJCNAJZHFNRK-UHFFFAOYSA-N	-1	0	209.632	2.472	10	30		BEEERM
C=C(C)Cc1ccc(S(=O)(=O)[O-])cc1	ZINC000038609455	385667643	/nfs/dbraw/zinc/66/76/43/385667643.db2.gz	QWDTYFRBZLNSLN-UHFFFAOYSA-N	-1	0	212.270	2.052	10	30		BEEERM
N#Cc1cc(CC(=O)[O-])cc(C(F)(F)F)c1F	ZINC000575344857	386711574	/nfs/dbraw/zinc/71/15/74/386711574.db2.gz	CFVXDAGHCKPOHF-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
COc1cc(C#N)c(CC(=O)[O-])cc1C(F)F	ZINC000575343604	386691200	/nfs/dbraw/zinc/69/12/00/386691200.db2.gz	PPNNKFTUVQBCSB-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
N#Cc1cc(C(F)F)c(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000575344143	386691468	/nfs/dbraw/zinc/69/14/68/386691468.db2.gz	QNPBGQWTCNSCDP-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
COc1c(CC(=O)[O-])ccc(C(F)F)c1C#N	ZINC000575343590	386691501	/nfs/dbraw/zinc/69/15/01/386691501.db2.gz	MSQWDFRCGYMKSK-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
CCc1cc(C#N)c(OC(F)F)c(C(=O)[O-])c1	ZINC000575385355	386942493	/nfs/dbraw/zinc/94/24/93/386942493.db2.gz	MHAJTUHHKIULTK-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
CCc1cc(OC(F)F)c(C(=O)[O-])cc1C#N	ZINC000575385467	386945124	/nfs/dbraw/zinc/94/51/24/386945124.db2.gz	SSVURNRRVNOASM-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
CCc1cc(C#N)c(OC(F)F)cc1C(=O)[O-]	ZINC000575385440	386945226	/nfs/dbraw/zinc/94/52/26/386945226.db2.gz	QVXGJZSKSFQFKK-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
CCOC(=O)c1cc([O-])cc(C(F)F)c1C#N	ZINC000575388084	386957938	/nfs/dbraw/zinc/95/79/38/386957938.db2.gz	UZFJFJOEGODIBX-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
N#Cc1cc(C(=O)[O-])c(C=O)c(C(F)(F)F)c1	ZINC000575390983	386959943	/nfs/dbraw/zinc/95/99/43/386959943.db2.gz	MVHFGJRXUUPIBX-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
N#Cc1ccc(C=O)c(C(F)(F)F)c1C(=O)[O-]	ZINC000575391628	386963197	/nfs/dbraw/zinc/96/31/97/386963197.db2.gz	YNEBJKDHAWBVFF-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
COC(=O)c1c(C#N)ccc([O-])c1C(F)(F)F	ZINC000575392049	386963341	/nfs/dbraw/zinc/96/33/41/386963341.db2.gz	NDXSBLGGXQAWBP-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
COC(=O)c1cc(C#N)c([O-])cc1C(F)(F)F	ZINC000575392378	386964926	/nfs/dbraw/zinc/96/49/26/386964926.db2.gz	WWSDXRXBWDLYBY-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
N#CC(C#N)=C([O-])c1ccccc1Br	ZINC000088329502	386965297	/nfs/dbraw/zinc/96/52/97/386965297.db2.gz	JTJBCLPFCVBEMF-UHFFFAOYSA-N	-1	0	249.067	2.295	10	30		BEEERM
Cc1cc(C#N)cc(OC(F)(F)F)c1C(=O)[O-]	ZINC000575394100	386991696	/nfs/dbraw/zinc/99/16/96/386991696.db2.gz	BCFKDYQQADHSAU-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1cc(C(=O)[O-])cc(OC(F)(F)F)c1C#N	ZINC000575394115	386992274	/nfs/dbraw/zinc/99/22/74/386992274.db2.gz	CEDYZMLAOCVLON-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1c(C#N)cc(C(=O)[O-])cc1OC(F)(F)F	ZINC000575394186	386992916	/nfs/dbraw/zinc/99/29/16/386992916.db2.gz	GTFMJHBIZZVUQE-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1ccc(C#N)c(C(=O)[O-])c1OC(F)(F)F	ZINC000575394982	386997001	/nfs/dbraw/zinc/99/70/01/386997001.db2.gz	QUMBQPTUVBIRET-UHFFFAOYSA-N	-1	0	245.156	2.464	10	30		BEEERM
Cc1cc(C#N)c(OC(F)F)c(CC(=O)[O-])c1	ZINC000575388424	386951446	/nfs/dbraw/zinc/95/14/46/386951446.db2.gz	UUGXDPRVGHFRGL-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1cc(OC(F)F)cc(F)c1[O-]	ZINC000575659446	387036806	/nfs/dbraw/zinc/03/68/06/387036806.db2.gz	OJDGBDSKVMVZKI-UHFFFAOYSA-N	-1	0	203.119	2.004	10	30		BEEERM
N#CCc1ccc(C#N)c(C(F)F)c1[O-]	ZINC000575642556	387844673	/nfs/dbraw/zinc/84/46/73/387844673.db2.gz	DBOUWWSSKCKVKG-UHFFFAOYSA-N	-1	0	208.167	2.268	10	30		BEEERM
CCOc1cc(C#N)cc([S-])c1CC#N	ZINC000575645776	387876287	/nfs/dbraw/zinc/87/62/87/387876287.db2.gz	GJDYZVOHMVOWOS-UHFFFAOYSA-N	-1	0	218.281	2.312	10	30		BEEERM
CCc1cc(C#N)c([S-])c(CC#N)c1	ZINC000575648789	387884838	/nfs/dbraw/zinc/88/48/38/387884838.db2.gz	YDYXQMRMVDPLAA-UHFFFAOYSA-N	-1	0	202.282	2.475	10	30		BEEERM
N#Cc1cc(C=O)c(C(=O)[O-])c(C(F)(F)F)c1	ZINC000575390826	388575367	/nfs/dbraw/zinc/57/53/67/388575367.db2.gz	DBCFYECXJQFXNQ-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
C[C@@]1(C(=O)[O-])CCCN(c2ccccc2C#N)C1	ZINC000062874653	132388523	/nfs/dbraw/zinc/38/85/23/132388523.db2.gz	QISDYLMZVAOGDL-CQSZACIVSA-N	-1	0	244.294	2.249	10	30		BEEERM
C=CCC[C@H](NC(=O)C[C@H](C)C(C)C)C(=O)[O-]	ZINC000262951222	135325131	/nfs/dbraw/zinc/32/51/31/135325131.db2.gz	QRPHTZCUKCQUNG-QWRGUYRKSA-N	-1	0	241.331	2.204	10	30		BEEERM
O=C([O-])CCCC#Cc1ccc([N+](=O)[O-])cc1	ZINC000584639597	398083947	/nfs/dbraw/zinc/08/39/47/398083947.db2.gz	NXKBZEVZGBSQHB-UHFFFAOYSA-N	-1	0	233.223	2.201	10	30		BEEERM
C=CCOc1c(C(=O)[O-])cnn1-c1ccccc1	ZINC000019844334	166422008	/nfs/dbraw/zinc/42/20/08/166422008.db2.gz	JHBIJNBDWYPECS-UHFFFAOYSA-N	-1	0	244.250	2.135	10	30		BEEERM
CC(C)Oc1ccc(C(=O)/C=C/C(=O)[O-])cc1	ZINC000033513384	167290801	/nfs/dbraw/zinc/29/08/01/167290801.db2.gz	UTGGZGLLELTHPS-BQYQJAHWSA-N	-1	0	234.251	2.297	10	30		BEEERM
CC(C)Oc1cccc(/C=C/C(=O)C(=O)[O-])c1	ZINC000062168325	167304554	/nfs/dbraw/zinc/30/45/54/167304554.db2.gz	LFPOALKTTCIUSL-VOTSOKGWSA-N	-1	0	234.251	2.141	10	30		BEEERM
CC[C@H](Nc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000062784896	171550559	/nfs/dbraw/zinc/55/05/59/171550559.db2.gz	HCOCBBSKLNCEEE-VIFPVBQESA-N	-1	0	238.674	2.487	10	30		BEEERM
COc1ccc2c(c1)C([O-])=C(C=O)CC2	ZINC000105337353	175206380	/nfs/dbraw/zinc/20/63/80/175206380.db2.gz	OTLFSQDPWQPVJL-CLFYSBASSA-N	-1	0	204.225	2.266	10	30		BEEERM
C[C@@H](C#N)n1cc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000043517525	175599570	/nfs/dbraw/zinc/59/95/70/175599570.db2.gz	LJMMALJVMNYJES-YFKPBYRVSA-N	-1	0	232.161	2.290	10	30		BEEERM
C[C@@H](C#N)SCc1ccc(C(=O)[O-])o1	ZINC000757147181	582531341	/nfs/dbraw/zinc/53/13/41/582531341.db2.gz	WZMIJQFCZLROJL-LURJTMIESA-N	-1	0	211.242	2.123	10	30		BEEERM
C#C[C@H](Nc1ccccc1C(=O)[O-])C(C)C	ZINC000300803255	585682872	/nfs/dbraw/zinc/68/28/72/585682872.db2.gz	FKNVVTNNTFIOEK-NSHDSACASA-N	-1	0	217.268	2.455	10	30		BEEERM
O=Cc1ccc(-c2ccc(C#CC(=O)[O-])cc2)o1	ZINC000757565970	586305706	/nfs/dbraw/zinc/30/57/06/586305706.db2.gz	CTVKCEKXLMCKAS-UHFFFAOYSA-N	-1	0	240.214	2.195	10	30		BEEERM
N#CC1(CSc2nc(C(=O)[O-])cs2)CC1	ZINC000691572803	976369253	/nfs/dbraw/zinc/36/92/53/976369253.db2.gz	RFYMTMDDJZNJMM-UHFFFAOYSA-N	-1	0	240.309	2.237	10	30		BEEERM
Cc1oc(CN2CCC[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC000694585233	976700340	/nfs/dbraw/zinc/70/03/40/976700340.db2.gz	FCYYEFFDSBKMDD-JTQLQIEISA-N	-1	0	248.282	2.022	10	30		BEEERM
CCN(CCC#N)Cc1csc(C(=O)[O-])c1	ZINC000701810825	977042382	/nfs/dbraw/zinc/04/23/82/977042382.db2.gz	PABGGDVNVMSHFG-UHFFFAOYSA-N	-1	0	238.312	2.182	10	30		BEEERM
Cc1cc(C[C@H](S)C(=O)[O-])c(C)s1	ZINC000049685558	178058059	/nfs/dbraw/zinc/05/80/59/178058059.db2.gz	JJXIMFWIHNYGLW-QMMMGPOBSA-N	-1	0	216.327	2.290	10	30		BEEERM
Cc1ccc(C#N)c(SCC(=O)[O-])c1	ZINC000051578516	178366710	/nfs/dbraw/zinc/36/67/10/178366710.db2.gz	JQCISRKJNGKZKJ-UHFFFAOYSA-N	-1	0	207.254	2.043	10	30		BEEERM
CCO[C@H](/C(N)=N/O)c1ccccc1Cl	ZINC000005650843	342767669	/nfs/dbraw/zinc/76/76/69/342767669.db2.gz	PTAMVVGINUXBPU-VIFPVBQESA-N	-1	0	228.679	2.164	10	30		BEEERM
CCC[C@H](C#N)C(=O)[N-]OCc1ccccc1	ZINC000233319624	342855468	/nfs/dbraw/zinc/85/54/68/342855468.db2.gz	YPEYTCSHQZOPCZ-GFCCVEGCSA-N	-1	0	232.283	2.174	10	30		BEEERM
C=CCOc1ccc(/C=C\C(=O)[O-])cc1	ZINC000031502647	398326699	/nfs/dbraw/zinc/32/66/99/398326699.db2.gz	BDQXWLNXUBMIEG-YVMONPNESA-N	-1	0	204.225	2.349	10	30		BEEERM
O=CC1=C([O-])c2cc(Br)ccc2C1	ZINC000214448034	537782526	/nfs/dbraw/zinc/78/25/26/537782526.db2.gz	VSCVLJUXIUNKKL-ZETCQYMHSA-N	-1	0	239.068	2.003	10	30		BEEERM
COc1c(CC(=O)[O-])ccc(C#N)c1C(F)F	ZINC000514276090	343648910	/nfs/dbraw/zinc/64/89/10/343648910.db2.gz	YDOIKHLXCZYVBA-UHFFFAOYSA-N	-1	0	241.193	2.132	10	30		BEEERM
COc1cc(C#N)cc(C(F)(F)F)c1C(=O)[O-]	ZINC000514271628	343650961	/nfs/dbraw/zinc/65/09/61/343650961.db2.gz	XFYTTXORHHQSDL-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
Cc1ccc(C#N)c2cc(C(=O)[O-])[nH]c21	ZINC000536960424	343652438	/nfs/dbraw/zinc/65/24/38/343652438.db2.gz	VOAQMFVFTRHVQL-UHFFFAOYSA-N	-1	0	200.197	2.046	10	30		BEEERM
N#CC1CCN(c2ccc(C(=O)[O-])cc2)CC1	ZINC000409427645	343801472	/nfs/dbraw/zinc/80/14/72/343801472.db2.gz	KDMSWDUCUMYQSN-UHFFFAOYSA-N	-1	0	230.267	2.125	10	30		BEEERM
C[C@@H](C#N)Sc1cccc(C(=O)[O-])c1	ZINC000069977737	343945677	/nfs/dbraw/zinc/94/56/77/343945677.db2.gz	MFPOVTRXSLASHB-ZETCQYMHSA-N	-1	0	207.254	2.389	10	30		BEEERM
Cc1ccc(CC(=O)[O-])c(C#N)c1C(F)F	ZINC000396147016	344620528	/nfs/dbraw/zinc/62/05/28/344620528.db2.gz	DOVCOXLETZEZDA-UHFFFAOYSA-N	-1	0	225.194	2.431	10	30		BEEERM
CCc1c(C#N)ccc(C(=O)[O-])c1CC	ZINC000396148127	344621464	/nfs/dbraw/zinc/62/14/64/344621464.db2.gz	GIUWHYURCPSXMI-UHFFFAOYSA-N	-1	0	203.241	2.381	10	30		BEEERM
N#Cc1c(F)cc(C(F)F)cc1C(=O)[O-]	ZINC000396151132	344623643	/nfs/dbraw/zinc/62/36/43/344623643.db2.gz	BWRKNPQMULDBKH-UHFFFAOYSA-N	-1	0	215.130	2.333	10	30		BEEERM
N#Cc1c(CC(=O)[O-])cc(F)cc1C(F)F	ZINC000396153014	344625219	/nfs/dbraw/zinc/62/52/19/344625219.db2.gz	NTYUZKKCKWPBAE-UHFFFAOYSA-N	-1	0	229.157	2.262	10	30		BEEERM
CCc1ccc(CC(=O)[O-])c(Cl)c1C#N	ZINC000396154522	344626466	/nfs/dbraw/zinc/62/64/66/344626466.db2.gz	FCAYMXYVAIKYAV-UHFFFAOYSA-N	-1	0	223.659	2.401	10	30		BEEERM
N#Cc1c(C(=O)[O-])c(C=O)ccc1C(F)F	ZINC000396155636	344627331	/nfs/dbraw/zinc/62/73/31/344627331.db2.gz	VWQOECWGDJBLQP-UHFFFAOYSA-N	-1	0	225.150	2.007	10	30		BEEERM
N#Cc1ccc(C(=O)[O-])c(C(F)F)c1C=O	ZINC000396156481	344628134	/nfs/dbraw/zinc/62/81/34/344628134.db2.gz	XIFXJQXYRFJTBS-UHFFFAOYSA-N	-1	0	225.150	2.007	10	30		BEEERM
COc1cc(C(F)F)cc(C(=O)[O-])c1C#N	ZINC000396169953	344630909	/nfs/dbraw/zinc/63/09/09/344630909.db2.gz	ZLPUBCODFDLMEW-UHFFFAOYSA-N	-1	0	227.166	2.203	10	30		BEEERM
N#Cc1cc(F)c(C(=O)[O-])c(C(F)(F)F)c1	ZINC000396161544	344634336	/nfs/dbraw/zinc/63/43/36/344634336.db2.gz	OUDWZMIXMMGQHU-UHFFFAOYSA-N	-1	0	233.120	2.414	10	30		BEEERM
CCc1cc(C(=O)[O-])c(CC)cc1C#N	ZINC000396162039	344634402	/nfs/dbraw/zinc/63/44/02/344634402.db2.gz	ZQVISAFYEHPLHD-UHFFFAOYSA-N	-1	0	203.241	2.381	10	30		BEEERM
CC(C)C[C@@H](CNc1cnccc1C#N)C(=O)[O-]	ZINC000135584616	344764128	/nfs/dbraw/zinc/76/41/28/344764128.db2.gz	LQMLVLOVFJFPKV-NSHDSACASA-N	-1	0	247.298	2.112	10	30		BEEERM
C[C@@H](Sc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000235238711	344852863	/nfs/dbraw/zinc/85/28/63/344852863.db2.gz	YNGCHYLOQWNHDF-RXMQYKEDSA-N	-1	0	242.687	2.172	10	30		BEEERM
C#C[C@@H](C)Oc1cccc(Cl)c1C(=O)[O-]	ZINC000235251141	344861221	/nfs/dbraw/zinc/86/12/21/344861221.db2.gz	XAIZOBXHCZHMRE-SSDOTTSWSA-N	-1	0	224.643	2.439	10	30		BEEERM
CCc1cc(OC(F)F)cc(C#N)c1C(=O)[O-]	ZINC000514271773	344910614	/nfs/dbraw/zinc/91/06/14/344910614.db2.gz	NAROPTUQRYFFTH-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
CCc1ccc(C(=O)[O-])c(C#N)c1OC(F)F	ZINC000514272438	344911119	/nfs/dbraw/zinc/91/11/19/344911119.db2.gz	ARCAABPNRYVOJT-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
CCc1c(C#N)ccc(C(=O)[O-])c1OC(F)F	ZINC000514272402	344911430	/nfs/dbraw/zinc/91/14/30/344911430.db2.gz	ZQNVJMVUNPKHRA-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
C#C[C@H](C)Oc1ccc(C(=O)[O-])c(Cl)c1	ZINC000235567783	344944321	/nfs/dbraw/zinc/94/43/21/344944321.db2.gz	RLXTXQJEUIDGJD-ZETCQYMHSA-N	-1	0	224.643	2.439	10	30		BEEERM
C=C(C)[C@@H](Nc1ccccc1F)C(=O)[O-]	ZINC000158906164	345825349	/nfs/dbraw/zinc/82/53/49/345825349.db2.gz	LUSXXGBSIJDKID-SNVBAGLBSA-N	-1	0	209.220	2.267	10	30		BEEERM
N#Cc1sc(=NN2CCCCC2)[n-]c1Cl	ZINC000236042752	346186497	/nfs/dbraw/zinc/18/64/97/346186497.db2.gz	MPGNHTDOMYSSEC-UHFFFAOYSA-N	-1	0	242.735	2.481	10	30		BEEERM
C=C(Cl)CNC(=O)c1ccccc1[S-]	ZINC000236628984	346266068	/nfs/dbraw/zinc/26/60/68/346266068.db2.gz	LTKWSAUSQRQSPI-UHFFFAOYSA-N	-1	0	227.716	2.458	10	30		BEEERM
O=C(/C(=N/[O-])c1ccccn1)c1ccccc1	ZINC000165778620	346657679	/nfs/dbraw/zinc/65/76/79/346657679.db2.gz	BDHDHGBNINRRQL-NTCAYCPXSA-N	-1	0	226.235	2.143	10	30		BEEERM
N#CCCSC(=S)[N-]Cc1cccnc1	ZINC000072317589	347251047	/nfs/dbraw/zinc/25/10/47/347251047.db2.gz	HXMKOVYPURRTNI-UHFFFAOYSA-N	-1	0	237.353	2.103	10	30		BEEERM
O=CC=C([O-])c1ccc(Br)o1	ZINC000307927749	350049505	/nfs/dbraw/zinc/04/95/05/350049505.db2.gz	KKULKECTCGPIFQ-ARJAWSKDSA-N	-1	0	217.018	2.297	10	30		BEEERM
Cc1nc([C@@H](C)S)sc1C(=O)[O-]	ZINC000083344023	180038969	/nfs/dbraw/zinc/03/89/69/180038969.db2.gz	MJQGQDNNRQEVGR-SCSAIBSYSA-N	-1	0	203.288	2.141	10	30		BEEERM
N#Cc1ccc(F)c(-c2cc(C(=O)[O-])ccn2)c1	ZINC000065347686	187441251	/nfs/dbraw/zinc/44/12/51/187441251.db2.gz	YITDPCFDDZHWQG-UHFFFAOYSA-N	-1	0	242.209	2.458	10	30		BEEERM
O=C([O-])/C(F)=C(/F)C(F)(F)C(F)(F)CF	ZINC000221268266	350204119	/nfs/dbraw/zinc/20/41/19/350204119.db2.gz	QVKYWZVGEVVNID-IHWYPQMZSA-N	-1	0	240.074	2.462	10	30		BEEERM
C#CC[C@H](C)Nc1nc(Cl)c(C(=O)[O-])s1	ZINC000306736574	350907871	/nfs/dbraw/zinc/90/78/71/350907871.db2.gz	XQZJSZUXHXLJEK-YFKPBYRVSA-N	-1	0	244.703	2.318	10	30		BEEERM
N#Cc1ccccc1[C@H]1CCCN(C(=O)[O-])C1	ZINC000616618829	350924927	/nfs/dbraw/zinc/92/49/27/350924927.db2.gz	NXRLIZVDKAVDQE-NSHDSACASA-N	-1	0	230.267	2.416	10	30		BEEERM
N#Cc1cccc([C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000616617837	350877384	/nfs/dbraw/zinc/87/73/84/350877384.db2.gz	BMFFOCKSKZJXQP-GFCCVEGCSA-N	-1	0	230.267	2.416	10	30		BEEERM
CCCCCCCCN/N=C(\C)C(=O)[O-]	ZINC000043706122	168652948	/nfs/dbraw/zinc/65/29/48/168652948.db2.gz	YANLGFIWKWYTGE-JLHYYAGUSA-N	-1	0	214.309	2.397	10	30		BEEERM
Cc1cc(Br)c(C#N)c(C(=O)[O-])c1	ZINC000306982690	351399592	/nfs/dbraw/zinc/39/95/92/351399592.db2.gz	RVAZGEMEGZZNMC-UHFFFAOYSA-N	-1	0	240.056	2.327	10	30		BEEERM
N#Cc1cc(F)cc([O-])c1Br	ZINC000307275897	351831835	/nfs/dbraw/zinc/83/18/35/351831835.db2.gz	SNIYVHCZEBKWPC-UHFFFAOYSA-N	-1	0	216.009	2.165	10	30		BEEERM
C#CC(C)(C)Oc1nc(Cl)c(C(=O)[O-])s1	ZINC000307332160	352047845	/nfs/dbraw/zinc/04/78/45/352047845.db2.gz	ACMDYUCOQRRSRZ-UHFFFAOYSA-N	-1	0	245.687	2.285	10	30		BEEERM
Cc1cc(C#N)c(Cl)cc1CC(=O)[O-]	ZINC000307485778	352619932	/nfs/dbraw/zinc/61/99/32/352619932.db2.gz	BAAOADFISGSFDC-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
CCc1ccc(C(=O)/C=C/C(=O)[O-])s1	ZINC000075619428	187771932	/nfs/dbraw/zinc/77/19/32/187771932.db2.gz	BUESDXYPNRXFPE-GQCTYLIASA-N	-1	0	210.254	2.134	10	30		BEEERM
Cc1cc(C#N)cc(Cl)c1CC(=O)[O-]	ZINC000307606175	352668231	/nfs/dbraw/zinc/66/82/31/352668231.db2.gz	AVRBJLZDTKRWJO-UHFFFAOYSA-N	-1	0	209.632	2.147	10	30		BEEERM
C=CCSc1nc(CC(=O)[O-])cs1	ZINC000040541916	188083186	/nfs/dbraw/zinc/08/31/86/188083186.db2.gz	MZECONGNPYMGLI-UHFFFAOYSA-N	-1	0	215.299	2.048	10	30		BEEERM
CC(C)Cc1ccc(C#CC(=O)[O-])cc1	ZINC000041211029	188084423	/nfs/dbraw/zinc/08/44/23/188084423.db2.gz	DGUMBSFDGKIMJL-UHFFFAOYSA-N	-1	0	202.253	2.321	10	30		BEEERM
CCCCCC/C=C/[C@H](O)CC(=O)[O-]	ZINC000100173956	188158220	/nfs/dbraw/zinc/15/82/20/188158220.db2.gz	IINFTRBLONAWCQ-JARNTUPDSA-N	-1	0	200.278	2.349	10	30		BEEERM
Cc1cc(Cl)cc2c1[n-]cc(C#N)c2=O	ZINC000100609843	188158235	/nfs/dbraw/zinc/15/82/35/188158235.db2.gz	VNOGOFCJMLRNKM-UHFFFAOYSA-N	-1	0	218.643	2.362	10	30		BEEERM
N#Cc1c([O-])c2cc3c(cc2oc1=O)CCCC3	ZINC000169319922	188161951	/nfs/dbraw/zinc/16/19/51/188161951.db2.gz	FVIQCPYASLKTHM-UHFFFAOYSA-N	-1	0	241.246	2.249	10	30		BEEERM
C=CCc1c(C)nc(NCc2ccco2)[nH]c1=O	ZINC000058824198	188223042	/nfs/dbraw/zinc/22/30/42/188223042.db2.gz	AYRZXOQSOBUVHE-UHFFFAOYSA-N	-1	0	245.282	2.012	10	30		BEEERM
COc1cccc(C=N[O-])c1OC(F)F	ZINC000252370183	363230167	/nfs/dbraw/zinc/23/01/67/363230167.db2.gz	ZSZXHBFYNYQNTG-UHFFFAOYSA-N	-1	0	217.171	2.105	10	30		BEEERM
N#C[C@H](CC(=O)[O-])c1cccc(Cl)c1	ZINC000057496011	181063390	/nfs/dbraw/zinc/06/33/90/181063390.db2.gz	VVVQYTLDHDEJIO-QMMMGPOBSA-N	-1	0	209.632	2.422	10	30		BEEERM
N#Cc1c(Cl)[n-]c2ccccc2c1=O	ZINC000075605274	181073434	/nfs/dbraw/zinc/07/34/34/181073434.db2.gz	IEZYQEHBNUYCSG-UHFFFAOYSA-N	-1	0	204.616	2.465	10	30		BEEERM
N#Cc1ccc(-c2cnccc2C(=O)[O-])cc1	ZINC000065347164	181095723	/nfs/dbraw/zinc/09/57/23/181095723.db2.gz	PWTFFCQLIWBFFW-UHFFFAOYSA-N	-1	0	224.219	2.318	10	30		BEEERM
N#Cc1cc(=O)c2cccc(Cl)c2[n-]1	ZINC000062569252	181091921	/nfs/dbraw/zinc/09/19/21/181091921.db2.gz	PYIMPZWROZUERQ-UHFFFAOYSA-N	-1	0	204.616	2.465	10	30		BEEERM
N#Cc1ccc(N[C@H]2CCC[C@@H](C(=O)[O-])C2)nc1	ZINC000070556998	181126646	/nfs/dbraw/zinc/12/66/46/181126646.db2.gz	OIQCQNOYTCJRDD-MNOVXSKESA-N	-1	0	245.282	2.009	10	30		BEEERM
N#Cc1cccc(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])c1	ZINC000098090481	181136585	/nfs/dbraw/zinc/13/65/85/181136585.db2.gz	KFDRXXPMKDARCE-NEPJUHHUSA-N	-1	0	243.262	2.242	10	30		BEEERM
C=CCSc1ccc(CC(=O)[O-])cc1N	ZINC000675068059	538495921	/nfs/dbraw/zinc/49/59/21/538495921.db2.gz	RNVJJMHXCZQKNW-UHFFFAOYSA-N	-1	0	223.297	2.174	10	30		BEEERM
O=C1c2ccncc2C([O-])=C1c1ccncc1	ZINC000584638139	358323364	/nfs/dbraw/zinc/32/33/64/358323364.db2.gz	SLQRXDGSNDWNLJ-UHFFFAOYSA-N	-1	0	224.219	2.099	10	30		BEEERM
N#Cc1cc(/C=C/C(=O)[O-])ccc1Cl	ZINC000306554995	360427851	/nfs/dbraw/zinc/42/78/51/360427851.db2.gz	KSIHHJTZVGHGPE-DUXPYHPUSA-N	-1	0	207.616	2.309	10	30		BEEERM
COC(=O)c1ccc([S-])c(Cl)c1C#N	ZINC000306608926	360574790	/nfs/dbraw/zinc/57/47/90/360574790.db2.gz	XHZGLRGEJNRLIU-UHFFFAOYSA-N	-1	0	227.672	2.287	10	30		BEEERM
Cc1nc(S[C@H](C)C#N)sc1C(=O)[O-]	ZINC000070598438	361580683	/nfs/dbraw/zinc/58/06/83/361580683.db2.gz	GCTKNLBRERMGDL-SCSAIBSYSA-N	-1	0	228.298	2.154	10	30		BEEERM
O=C([O-])/C(F)=C(\F)[C@@](F)(CF)C(F)(F)F	ZINC000071602829	368412015	/nfs/dbraw/zinc/41/20/15/368412015.db2.gz	CKWJFJONYPNEKI-HRJJCQLASA-N	-1	0	240.074	2.462	10	30		BEEERM
CCOC(=O)C(=CO)c1ccc(SC)cc1	ZINC000144099324	368413224	/nfs/dbraw/zinc/41/32/24/368413224.db2.gz	JYZAPKXPFIWNLQ-NSHDSACASA-N	-1	0	238.308	2.254	10	30		BEEERM
C#CC[C@H](C)Nc1ccc(C(=O)[O-])cc1	ZINC000130944459	370426762	/nfs/dbraw/zinc/42/67/62/370426762.db2.gz	LYJRMYAJJLYWNO-VIFPVBQESA-N	-1	0	203.241	2.209	10	30		BEEERM
C#CC(C)(C)Nc1cccc(C(=O)[O-])c1	ZINC000227675938	371919960	/nfs/dbraw/zinc/91/99/60/371919960.db2.gz	BOLJRRFMKMWZIK-UHFFFAOYSA-N	-1	0	203.241	2.209	10	30		BEEERM
C=C(c1ccnc(C(=O)[O-])c1)C(F)(F)F	ZINC000306681163	372054832	/nfs/dbraw/zinc/05/48/32/372054832.db2.gz	NENJVBHLXNDSGQ-UHFFFAOYSA-N	-1	0	217.146	2.355	10	30		BEEERM
C=CC[C@H](C)NC(=O)c1cccc(OC)c1O	ZINC000116987564	384138166	/nfs/dbraw/zinc/13/81/66/384138166.db2.gz	MVQYHJYRCVZPTO-VIFPVBQESA-N	-1	0	235.283	2.095	10	30		BEEERM
O=C1OC(c2ccc(Cl)cc2)=C([O-])C1O	ZINC000100359122	384636459	/nfs/dbraw/zinc/63/64/59/384636459.db2.gz	SADYYVYRJRKFTD-SECBINFHSA-N	-1	0	226.615	2.266	10	30		BEEERM
N#CCc1cc(F)cc(O)c1OC(F)(F)F	ZINC000575704691	384787759	/nfs/dbraw/zinc/78/77/59/384787759.db2.gz	ZLQVWGQICGFKRZ-UHFFFAOYSA-N	-1	0	235.136	2.496	10	30		BEEERM
N#Cc1cccc(Nc2cc(C(=O)[O-])ccn2)c1	ZINC000019845036	386110348	/nfs/dbraw/zinc/11/03/48/386110348.db2.gz	KYKBBHHWGOTZBA-UHFFFAOYSA-N	-1	0	239.234	2.395	10	30		BEEERM
COc1ccc(/C(Cl)=N/[O-])c(OC)c1	ZINC000039251370	386151109	/nfs/dbraw/zinc/15/11/09/386151109.db2.gz	VNUVJWRJYFCFRR-LUAWRHEFSA-N	-1	0	215.636	2.078	10	30		BEEERM
C[C@H](Nc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000052903107	386348182	/nfs/dbraw/zinc/34/81/82/386348182.db2.gz	BIBJZARDKLGJIF-LURJTMIESA-N	-1	0	224.647	2.097	10	30		BEEERM
C=CC[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000137095715	386645879	/nfs/dbraw/zinc/64/58/79/386645879.db2.gz	HBZSMWUAIOCOGH-LLVKDONJSA-N	-1	0	206.241	2.440	10	30		BEEERM
N#Cc1cc(CC(=O)[O-])cc(OC(F)(F)F)c1	ZINC000575345072	386709009	/nfs/dbraw/zinc/70/90/09/386709009.db2.gz	VGJIPBWZTQADEZ-UHFFFAOYSA-N	-1	0	245.156	2.084	10	30		BEEERM
N#Cc1c(CC(=O)[O-])cc(F)cc1C(F)(F)F	ZINC000575344889	386710926	/nfs/dbraw/zinc/71/09/26/386710926.db2.gz	GINXVHDBRNHGLQ-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1cc(C(F)(F)F)c(F)cc1CC(=O)[O-]	ZINC000575344935	386711463	/nfs/dbraw/zinc/71/14/63/386711463.db2.gz	KECQBUZCHMZLCD-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1cc([N+](=O)[O-])cc(C(=O)[O-])c1C(F)F	ZINC000575343892	386692146	/nfs/dbraw/zinc/69/21/46/386692146.db2.gz	ITVZHHAGEPJCKF-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
CCOC(=O)c1ccc([O-])c(C(F)F)c1C#N	ZINC000575387343	386947338	/nfs/dbraw/zinc/94/73/38/386947338.db2.gz	CGGJAJGHBPVWRC-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
CCc1ccc(C#N)c(C(=O)[O-])c1OC(F)F	ZINC000575385347	386943614	/nfs/dbraw/zinc/94/36/14/386943614.db2.gz	MAPXKDUPNHVVPC-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
CCc1c(C#N)c(OC(F)F)ccc1C(=O)[O-]	ZINC000575385477	386945833	/nfs/dbraw/zinc/94/58/33/386945833.db2.gz	UARYWDLUIUGSOH-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
N#Cc1c([N+](=O)[O-])ccc(C(=O)[O-])c1C(F)F	ZINC000575389671	386952907	/nfs/dbraw/zinc/95/29/07/386952907.db2.gz	YCLXGKUMRFGTIP-UHFFFAOYSA-N	-1	0	242.137	2.102	10	30		BEEERM
Cc1cc(C#N)cc(OC(F)F)c1CC(=O)[O-]	ZINC000575387869	386956692	/nfs/dbraw/zinc/95/66/92/386956692.db2.gz	NEVZIPWUGRJMJK-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1cc(C(=O)[O-])c(F)cc1OC(F)(F)F	ZINC000575390449	386957944	/nfs/dbraw/zinc/95/79/44/386957944.db2.gz	MJMMSVPSHNWDBQ-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
CCOC(=O)c1c(C#N)ccc([O-])c1C(F)F	ZINC000575388122	386958943	/nfs/dbraw/zinc/95/89/43/386958943.db2.gz	XOFLUTXXYBUXCS-UHFFFAOYSA-N	-1	0	241.193	2.378	10	30		BEEERM
N#Cc1ccc(CC(=O)[O-])c(C(F)(F)F)c1F	ZINC000575390500	386960017	/nfs/dbraw/zinc/96/00/17/386960017.db2.gz	QJHVECPUHFBUGB-UHFFFAOYSA-N	-1	0	247.147	2.343	10	30		BEEERM
N#Cc1ccc(F)c(OC(F)(F)F)c1C(=O)[O-]	ZINC000575390466	386960363	/nfs/dbraw/zinc/96/03/63/386960363.db2.gz	OKEGXOBTMSDASQ-UHFFFAOYSA-N	-1	0	249.119	2.294	10	30		BEEERM
COC(=O)c1ccc(C#N)c([O-])c1C(F)(F)F	ZINC000575391670	386963271	/nfs/dbraw/zinc/96/32/71/386963271.db2.gz	CUMZADOQKIRTGS-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
N#Cc1c(C=O)c(C(=O)[O-])ccc1C(F)(F)F	ZINC000575391614	386964307	/nfs/dbraw/zinc/96/43/07/386964307.db2.gz	XRJGBLPPVHFKCP-UHFFFAOYSA-N	-1	0	243.140	2.088	10	30		BEEERM
COc1cc(C(=O)[O-])c(C(F)(F)F)cc1C#N	ZINC000575394472	386991507	/nfs/dbraw/zinc/99/15/07/386991507.db2.gz	MHTBDWGQVXEBGH-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
COc1cc(C(F)(F)F)c(C(=O)[O-])cc1C#N	ZINC000575395139	386997202	/nfs/dbraw/zinc/99/72/02/386997202.db2.gz	XXRNVZWAYJKCMM-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
COc1ccc(C#N)c(C(F)(F)F)c1C(=O)[O-]	ZINC000575395141	386997218	/nfs/dbraw/zinc/99/72/18/386997218.db2.gz	XYWDQZZASJXTPB-UHFFFAOYSA-N	-1	0	245.156	2.284	10	30		BEEERM
Cc1c(C#N)ccc(OC(F)F)c1CC(=O)[O-]	ZINC000575388605	386951318	/nfs/dbraw/zinc/95/13/18/386951318.db2.gz	ZWQKEPYZTLQRMF-UHFFFAOYSA-N	-1	0	241.193	2.095	10	30		BEEERM
N#Cc1cc(F)c([O-])c(OC(F)F)c1	ZINC000575659885	387052251	/nfs/dbraw/zinc/05/22/51/387052251.db2.gz	UKEJDDOYLVNEKX-UHFFFAOYSA-N	-1	0	203.119	2.004	10	30		BEEERM
N#Cc1cc(F)c([O-])cc1OC(F)F	ZINC000575660377	387054284	/nfs/dbraw/zinc/05/42/84/387054284.db2.gz	YGSYCSUZBGDJSO-UHFFFAOYSA-N	-1	0	203.119	2.004	10	30		BEEERM
Cc1cc([O-])cc(Br)c1C#N	ZINC000575692654	387381628	/nfs/dbraw/zinc/38/16/28/387381628.db2.gz	JQTCSSJDAIXNGV-UHFFFAOYSA-N	-1	0	212.046	2.335	10	30		BEEERM
N#Cc1cc([O-])c([N+](=O)[O-])cc1C(F)F	ZINC000575667499	387319975	/nfs/dbraw/zinc/31/99/75/387319975.db2.gz	FROYALZXPJXHIZ-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#Cc1cc([O-])cc([N+](=O)[O-])c1C(F)F	ZINC000575669459	387328813	/nfs/dbraw/zinc/32/88/13/387328813.db2.gz	WIMHVDYDPLRFHD-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#Cc1cc([O-])cc(C(F)F)c1[N+](=O)[O-]	ZINC000575669521	387329301	/nfs/dbraw/zinc/32/93/01/387329301.db2.gz	ZHEKEIDFHGJDLY-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#Cc1cc(C(F)F)c([O-])cc1[N+](=O)[O-]	ZINC000575669334	387329790	/nfs/dbraw/zinc/32/97/90/387329790.db2.gz	SOSJPEADYKPXAX-UHFFFAOYSA-N	-1	0	214.127	2.110	10	30		BEEERM
N#CCc1cc(F)cc([O-])c1Br	ZINC000306364815	387916045	/nfs/dbraw/zinc/91/60/45/387916045.db2.gz	IUQMWLHZLSXKRA-UHFFFAOYSA-N	-1	0	230.036	2.360	10	30		BEEERM
N#Cc1ccccc1C1(C(=O)[O-])CCC1	ZINC000238696835	387932500	/nfs/dbraw/zinc/93/25/00/387932500.db2.gz	FJMYRGWCGORHAQ-UHFFFAOYSA-N	-1	0	201.225	2.065	10	30		BEEERM
CSc1nc2[n-]c(C)c(C#N)c(=O)c2s1	ZINC000089229840	387928764	/nfs/dbraw/zinc/92/87/64/387928764.db2.gz	UTDPOBQNDPAZTP-UHFFFAOYSA-N	-1	0	237.309	2.299	10	30		BEEERM
CCc1cc(OC(F)F)c(C#N)cc1C(=O)[O-]	ZINC000575385410	388456911	/nfs/dbraw/zinc/45/69/11/388456911.db2.gz	OQOSRIGYGZRODU-UHFFFAOYSA-N	-1	0	241.193	2.420	10	30		BEEERM
COC(=O)c1c(C#N)cc([O-])cc1C(F)(F)F	ZINC000575391555	388596856	/nfs/dbraw/zinc/59/68/56/388596856.db2.gz	ADPSCBIBZQTNRM-UHFFFAOYSA-N	-1	0	245.156	2.069	10	30		BEEERM
N#Cc1c(=O)[n-]sc1NCc1ccccc1	ZINC000306865592	397924110	/nfs/dbraw/zinc/92/41/10/397924110.db2.gz	MIFWSMIOISHROG-UHFFFAOYSA-N	-1	0	231.280	2.332	10	30		BEEERM
C=CCCOc1nc(C)cc(C)c1C(=O)[O-]	ZINC000038010347	166276646	/nfs/dbraw/zinc/27/66/46/166276646.db2.gz	BYIUZGKLWLPGIG-UHFFFAOYSA-N	-1	0	221.256	2.352	10	30		BEEERM
CC(C)Oc1ccc(/C=C/C(=O)C(=O)[O-])cc1	ZINC000058002579	167289814	/nfs/dbraw/zinc/28/98/14/167289814.db2.gz	WLWPJOVFPPSPCX-VMPITWQZSA-N	-1	0	234.251	2.141	10	30		BEEERM
CCOc1ccc(C[C@H](C#N)CC(=O)[O-])cc1	ZINC000049822791	170547511	/nfs/dbraw/zinc/54/75/11/170547511.db2.gz	XGICKDGNURXTIY-NSHDSACASA-N	-1	0	233.267	2.242	10	30		BEEERM
N#Cc1ccccc1[C@]12C[C@H](CC1)[C@@H]2C(=O)[O-]	ZINC000757547631	586459723	/nfs/dbraw/zinc/45/97/23/586459723.db2.gz	XBKQEIMGEMXTAN-MRCXROJRSA-N	-1	0	227.263	2.311	10	30		BEEERM
C#C[C@H](C)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000125000856	590111015	/nfs/dbraw/zinc/11/10/15/590111015.db2.gz	PQYBWJFJRGAWSS-ZETCQYMHSA-N	-1	0	223.659	2.472	10	30		BEEERM
C#CCN(CC)c1ccc(Cl)cc1C(=O)[O-]	ZINC000130206817	591449008	/nfs/dbraw/zinc/44/90/08/591449008.db2.gz	YXEYSFMTFHSGKB-UHFFFAOYSA-N	-1	0	237.686	2.498	10	30		BEEERM
C#C[C@@H](C)Nc1ccc(C)cc1C(=O)[O-]	ZINC000166870731	640684146	/nfs/dbraw/zinc/68/41/46/640684146.db2.gz	MFOQJUFTXJNAEP-SECBINFHSA-N	-1	0	203.241	2.127	10	30		BEEERM
C#CC[C@@H](C)Nc1ncc(C(=O)[O-])cc1Cl	ZINC000228976736	640908631	/nfs/dbraw/zinc/90/86/31/640908631.db2.gz	XKMWILQSBUCNJR-SSDOTTSWSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#CC[C@H](C)Nc1nc(Cl)ccc1C(=O)[O-]	ZINC000228976175	640908651	/nfs/dbraw/zinc/90/86/51/640908651.db2.gz	BQGCHWSFOJRVFP-ZETCQYMHSA-N	-1	0	238.674	2.257	10	30		BEEERM
C#CCNc1ccc(Cl)cc1C(=O)[O-]	ZINC000042802176	641557413	/nfs/dbraw/zinc/55/74/13/641557413.db2.gz	MLHDHHNQYORGHI-UHFFFAOYSA-N	-1	0	209.632	2.083	10	30		BEEERM