smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC1CCN(C(=O)c2cc(F)ccc2[O-])CC1	ZINC000175227489	365537014	/nfs/dbraw/zinc/53/70/14/365537014.db2.gz	VAIWBBGQJQAYOJ-UHFFFAOYSA-N	-1	1	249.285	2.570	20	30		BFEDMM
C[C@H](C#N)CN(C)Cc1cccc([O-])c1Cl	ZINC000295252686	136290447	/nfs/dbraw/zinc/29/04/47/136290447.db2.gz	GDCONTZVLHBDEH-SECBINFHSA-N	-1	1	238.718	2.637	20	30		BFEDMM
CC(C)CON=c1[n-]cc(C#N)cc1Cl	ZINC000276272764	187339057	/nfs/dbraw/zinc/33/90/57/187339057.db2.gz	VGIJMIWABMWVCM-UHFFFAOYSA-N	-1	1	225.679	2.606	20	30		BFEDMM
CCC(C)(C)N(C)C(=O)c1ccc(C#N)c([O-])c1	ZINC000335873202	344035552	/nfs/dbraw/zinc/03/55/52/344035552.db2.gz	DDYKUOFUFHCMMC-UHFFFAOYSA-N	-1	1	246.310	2.524	20	30		BFEDMM
N#Cc1cccc(-c2ccc([O-])c(C#N)c2)c1	ZINC000065341302	187273989	/nfs/dbraw/zinc/27/39/89/187273989.db2.gz	WXFYVISNRGYLNV-UHFFFAOYSA-N	-1	1	220.231	2.803	20	30		BFEDMM
C=C(C)CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000188150188	259374274	/nfs/dbraw/zinc/37/42/74/259374274.db2.gz	SKZBIEHZMLLJLT-UHFFFAOYSA-N	-1	1	222.313	2.728	20	30		BFEDMM
N#Cc1ccc(C(=O)[N-]c2c(F)cccc2F)o1	ZINC000311100005	187314480	/nfs/dbraw/zinc/31/44/80/187314480.db2.gz	PNTBALXUDCWOEM-UHFFFAOYSA-N	-1	1	248.188	2.682	20	30		BFEDMM
C[C@H](CCC#N)Sc1nc(C2CC2)cc(=O)[n-]1	ZINC000195084434	347441648	/nfs/dbraw/zinc/44/16/48/347441648.db2.gz	LVPJXKLPBKHMJQ-MRVPVSSYSA-N	-1	1	249.339	2.844	20	30		BFEDMM
CCC[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596068159	348437554	/nfs/dbraw/zinc/43/75/54/348437554.db2.gz	DREPFLXTJJXUOT-ZCFIWIBFSA-N	-1	1	229.736	2.691	20	30		BFEDMM
C[C@H](CC#N)c1nc(-c2ccc([O-])c(F)c2)no1	ZINC000596593891	348588674	/nfs/dbraw/zinc/58/86/74/348588674.db2.gz	TVOYHGMVKRUIKM-SSDOTTSWSA-N	-1	1	247.229	2.598	20	30		BFEDMM
C=C(C)CN(C)C(=O)c1cc(Cl)ccc1[O-]	ZINC000163115238	350505638	/nfs/dbraw/zinc/50/56/38/350505638.db2.gz	IEXHNAOZEADEDW-UHFFFAOYSA-N	-1	1	239.702	2.694	20	30		BFEDMM
CC[C@@H](C#N)Sc1nc(C(F)F)cc(=O)[n-]1	ZINC000289298492	352178836	/nfs/dbraw/zinc/17/88/36/352178836.db2.gz	BDIOUTQADDTHPQ-YFKPBYRVSA-N	-1	1	245.254	2.514	20	30		BFEDMM
C=CC[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1	ZINC000628490893	359640630	/nfs/dbraw/zinc/64/06/30/359640630.db2.gz	JDRPBYKYFCYRKA-SNVBAGLBSA-N	-1	1	249.285	2.570	20	30		BFEDMM
C=CC[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1	ZINC000628489831	359625201	/nfs/dbraw/zinc/62/52/01/359625201.db2.gz	ITJWRDWDORATBD-SNVBAGLBSA-N	-1	1	249.285	2.570	20	30		BFEDMM
C=CC[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1	ZINC000628490892	359640883	/nfs/dbraw/zinc/64/08/83/359640883.db2.gz	JDRPBYKYFCYRKA-JTQLQIEISA-N	-1	1	249.285	2.570	20	30		BFEDMM
CCCCc1cc(=O)n(-c2ccc(C#N)cc2)[n-]1	ZINC000601933495	369721084	/nfs/dbraw/zinc/72/10/84/369721084.db2.gz	ZUBDRRKFFXODEZ-UHFFFAOYSA-N	-1	1	241.294	2.841	20	30		BFEDMM
CCCc1c(C)[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000603921540	369997738	/nfs/dbraw/zinc/99/77/38/369997738.db2.gz	UUBZZHRRUSMTTQ-CYBMUJFWSA-N	-1	1	241.294	2.697	20	30		BFEDMM
CCCc1c(C)[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000603921541	369997809	/nfs/dbraw/zinc/99/78/09/369997809.db2.gz	UUBZZHRRUSMTTQ-ZDUSSCGKSA-N	-1	1	241.294	2.697	20	30		BFEDMM
CCC[C@@H](C)N(C)C(=O)c1ccc(C#N)c([O-])c1	ZINC000331270695	169364119	/nfs/dbraw/zinc/36/41/19/169364119.db2.gz	MQOHRHSFPNRLRC-SNVBAGLBSA-N	-1	1	246.310	2.524	20	30		BFEDMM
N#Cc1cscc1C(=O)Nc1ccccc1[O-]	ZINC000335273297	386325031	/nfs/dbraw/zinc/32/50/31/386325031.db2.gz	BZXCDFMHHCGEJL-UHFFFAOYSA-N	-1	1	244.275	2.578	20	30		BFEDMM
C[C@@H]1CCC[C@@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000596114612	388404294	/nfs/dbraw/zinc/40/42/94/388404294.db2.gz	LDOIBBJRVHYQKR-RQJHMYQMSA-N	-1	1	241.747	2.691	20	30		BFEDMM
C[C@@]1(NC(=O)c2ncccc2[O-])CC=CCC1	ZINC000331315243	135395154	/nfs/dbraw/zinc/39/51/54/135395154.db2.gz	CULKGOFTXZBTRL-CYBMUJFWSA-N	-1	1	232.283	2.591	20	30		BFEDMM
N#CC1(C(=O)Nc2cccc(F)c2[O-])CCCC1	ZINC000530007451	324455087	/nfs/dbraw/zinc/45/50/87/324455087.db2.gz	VIRRNHBNIDTWIE-UHFFFAOYSA-N	-1	1	248.257	2.554	20	30		BFEDMM
C=C[C@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1	ZINC000683883819	488235968	/nfs/dbraw/zinc/23/59/68/488235968.db2.gz	LCYVCZLTDKYNNM-NSHDSACASA-N	-1	1	249.285	2.712	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@@H](C)c1cccc(F)c1	ZINC000856031967	588856639	/nfs/dbraw/zinc/85/66/39/588856639.db2.gz	FLEFLMSGYAZVOK-JTQLQIEISA-N	-1	1	237.274	2.553	20	30		BFEDMM
[O-]c1ccc(C=NNC2CCCC2)cc1Cl	ZINC000727651783	583714916	/nfs/dbraw/zinc/71/49/16/583714916.db2.gz	PYQVHRYPMBQCNR-UHFFFAOYSA-N	-1	1	238.718	2.912	20	30		BFEDMM
O=C(/C=C/c1nccs1)c1ccc([O-])cc1	ZINC000730085057	584122190	/nfs/dbraw/zinc/12/21/90/584122190.db2.gz	MCDOPIWDTXSPKG-AATRIKPKSA-N	-1	1	231.276	2.745	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2cc(C)ccc2C)[n-]1	ZINC000899346537	584199027	/nfs/dbraw/zinc/19/90/27/584199027.db2.gz	PBHPXLQGTYCUJW-UHFFFAOYSA-N	-1	1	240.306	2.810	20	30		BFEDMM
C#CCc1c(C)[n-]n([C@@H](C)c2ccccc2)c1=O	ZINC000899349437	584203109	/nfs/dbraw/zinc/20/31/09/584203109.db2.gz	COSDDTXNQVNCTF-GXTWGEPZSA-N	-1	1	240.306	2.605	20	30		BFEDMM
C#CCc1c(C)[n-]n(C2CCC(C)(C)CC2)c1=O	ZINC000899357163	584206359	/nfs/dbraw/zinc/20/63/59/584206359.db2.gz	DMRVGXDJRSSXEZ-CYBMUJFWSA-N	-1	1	246.354	2.813	20	30		BFEDMM
C=CCCCCCNc1cc(Cl)[n-]c(=O)n1	ZINC000858615091	588971493	/nfs/dbraw/zinc/97/14/93/588971493.db2.gz	HOZIOYOEGRFTFH-UHFFFAOYSA-N	-1	1	241.722	2.994	20	30		BFEDMM
Cc1ccc(F)c([O-])c1C=NOC(C)C	ZINC000901250335	584409966	/nfs/dbraw/zinc/40/99/66/584409966.db2.gz	RGKLFQLNIYLYIV-UHFFFAOYSA-N	-1	1	211.236	2.599	20	30		BFEDMM
CCCON=Cc1c(C)ccc(F)c1[O-]	ZINC000901258431	584416912	/nfs/dbraw/zinc/41/69/12/584416912.db2.gz	KGVARQKVQLSWIJ-UHFFFAOYSA-N	-1	1	211.236	2.600	20	30		BFEDMM
O=C(N([O-])Cc1ccccc1Cl)C1(F)CC1	ZINC000904193249	584849756	/nfs/dbraw/zinc/84/97/56/584849756.db2.gz	MQBFPIOZYYZYTG-UHFFFAOYSA-N	-1	1	243.665	2.560	20	30		BFEDMM
CC[C@H]1CCCC(N=Nc2nc(C)cc(=O)[n-]2)C1	ZINC000734976607	584970672	/nfs/dbraw/zinc/97/06/72/584970672.db2.gz	HFPCFVVPXAGQNY-JTQLQIEISA-N	-1	1	248.330	2.859	20	30		BFEDMM
C=CCCCC(=O)Nc1c([O-])cccc1F	ZINC000748320169	585190561	/nfs/dbraw/zinc/19/05/61/585190561.db2.gz	FBQSZBRNSYYZRE-UHFFFAOYSA-N	-1	1	223.247	2.826	20	30		BFEDMM
C[C@]1(C#N)CCCN(Cc2cccc(F)c2[O-])C1	ZINC000753588047	585262909	/nfs/dbraw/zinc/26/29/09/585262909.db2.gz	RTCFPZPSZXDNOW-CQSZACIVSA-N	-1	1	248.301	2.657	20	30		BFEDMM
Cc1ccc(NN=Cc2cccc(F)c2[O-])nc1	ZINC000755688957	585304132	/nfs/dbraw/zinc/30/41/32/585304132.db2.gz	JXIMIGZINHOURV-UHFFFAOYSA-N	-1	1	245.257	2.681	20	30		BFEDMM
[O-]c1c(F)cccc1C=NOC1CCCC1	ZINC000774603416	585661915	/nfs/dbraw/zinc/66/19/15/585661915.db2.gz	SFMHJCSUKQCEJY-UHFFFAOYSA-N	-1	1	223.247	2.824	20	30		BFEDMM
C=C(C)CN(C)C(=O)c1c([O-])cccc1Cl	ZINC000778458268	585735536	/nfs/dbraw/zinc/73/55/36/585735536.db2.gz	VCVRMAIDWKMGMT-UHFFFAOYSA-N	-1	1	239.702	2.694	20	30		BFEDMM
C=CCCCNC(=O)c1c([O-])cccc1Cl	ZINC000791056672	585973541	/nfs/dbraw/zinc/97/35/41/585973541.db2.gz	NAGHCVVYUGVMDF-UHFFFAOYSA-N	-1	1	239.702	2.742	20	30		BFEDMM
CC[C@@H](C)CON=Cc1ccc([O-])c(F)c1	ZINC000793164117	586012689	/nfs/dbraw/zinc/01/26/89/586012689.db2.gz	SJSAMXKFKLOSTA-SECBINFHSA-N	-1	1	225.263	2.928	20	30		BFEDMM
C=CCNN=C(C)c1ccc([O-])c(Cl)c1	ZINC000794999705	586063876	/nfs/dbraw/zinc/06/38/76/586063876.db2.gz	PNDJIGCZVWHTPJ-UHFFFAOYSA-N	-1	1	224.691	2.545	20	30		BFEDMM
CC(=NOCC1CC1)c1ccc([O-])c(F)c1	ZINC000814243230	586619667	/nfs/dbraw/zinc/61/96/67/586619667.db2.gz	MKEHARMWRSQMDB-UHFFFAOYSA-N	-1	1	223.247	2.682	20	30		BFEDMM
[O-]c1cccc(C=NOCC(F)F)c1Cl	ZINC000814903851	586647050	/nfs/dbraw/zinc/64/70/50/586647050.db2.gz	DZDUOZNZOQNNMP-UHFFFAOYSA-N	-1	1	235.617	2.661	20	30		BFEDMM
CSCCON=Cc1cccc([O-])c1Cl	ZINC000814922021	586651436	/nfs/dbraw/zinc/65/14/36/586651436.db2.gz	PSCIVCWQWHJJKU-UHFFFAOYSA-N	-1	1	245.731	2.759	20	30		BFEDMM
CCC[C@H](CC)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000825268083	587312183	/nfs/dbraw/zinc/31/21/83/587312183.db2.gz	OHNDWZCLNHZWLQ-LBPRGKRZSA-N	-1	1	246.310	2.795	20	30		BFEDMM
CC(C)C#CC(=O)Nc1ccc(Cl)cc1[O-]	ZINC000831249765	587593666	/nfs/dbraw/zinc/59/36/66/587593666.db2.gz	CUNDXCROOYFIDN-UHFFFAOYSA-N	-1	1	237.686	2.644	20	30		BFEDMM
C=C[C@@H](C)ON=C(C)c1ccc([O-])c(F)c1	ZINC000844623006	588210180	/nfs/dbraw/zinc/21/01/80/588210180.db2.gz	DBWREZSGVKYYBK-MRVPVSSYSA-N	-1	1	223.247	2.846	20	30		BFEDMM
Cc1ccc([O-])c(C(=O)/C=C/c2cccnc2)c1	ZINC000005798773	588270394	/nfs/dbraw/zinc/27/03/94/588270394.db2.gz	BKYHOVVEOMGULB-FNORWQNLSA-N	-1	1	239.274	2.992	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)C1(Cc2ccccc2)CC1	ZINC000846545207	588273994	/nfs/dbraw/zinc/27/39/94/588273994.db2.gz	FLHUNOQMILRFJL-LBPRGKRZSA-N	-1	1	245.322	2.632	20	30		BFEDMM
CC(C)C[C@@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691416	589684462	/nfs/dbraw/zinc/68/44/62/589684462.db2.gz	KLXCJPSCIHHUFN-LLVKDONJSA-N	-1	1	246.310	2.650	20	30		BFEDMM
CC(=NOC1CCC1)c1c([O-])cccc1F	ZINC000884471243	591944954	/nfs/dbraw/zinc/94/49/54/591944954.db2.gz	PLRRWEMBMDQCRJ-UHFFFAOYSA-N	-1	1	223.247	2.824	20	30		BFEDMM
CC[C@@H](C)CON=Cc1cccc(F)c1[O-]	ZINC000793159346	636021436	/nfs/dbraw/zinc/02/14/36/636021436.db2.gz	NZRAVDXERJFIBD-SECBINFHSA-N	-1	1	225.263	2.928	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1ccccc1C	ZINC000824033549	644519710	/nfs/dbraw/zinc/51/97/10/644519710.db2.gz	OLWKELCKXLCBND-VXGBXAGGSA-N	-1	1	233.311	2.721	20	30		BFEDMM
[O-]c1ccc(C=NOC/C=C/Cl)cc1F	ZINC000811672032	711460097	/nfs/dbraw/zinc/46/00/97/711460097.db2.gz	OIMNMZNKXMJRCD-AODHEHMHSA-N	-1	1	229.638	2.634	20	30		BFEDMM
C#CCN(C)Cc1cc(Cl)c([O-])c(Cl)c1	ZINC001140834187	960611970	/nfs/dbraw/zinc/61/19/70/960611970.db2.gz	JQFIWWRZJNSERY-UHFFFAOYSA-N	-1	1	244.121	2.764	20	30		BFEDMM
C=CCCCCNc1cc(C(=O)[O-])ccn1	ZINC000309198539	963331311	/nfs/dbraw/zinc/33/13/11/963331311.db2.gz	KTTUYRDWFPFFGQ-UHFFFAOYSA-N	-1	1	220.272	2.548	20	30		BFEDMM
CCCCN(CC#N)Cc1c([O-])cccc1F	ZINC001137838743	967910880	/nfs/dbraw/zinc/91/08/80/967910880.db2.gz	JMSURKMZDWTVIL-UHFFFAOYSA-N	-1	1	236.290	2.657	20	30		BFEDMM
N#Cc1ncccc1Nc1cc([O-])cc(F)c1	ZINC001206760794	956908536	/nfs/dbraw/zinc/90/85/36/956908536.db2.gz	YZSNFDJPWWYDCC-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
[S-]c1cc(S)cc(NCCCS)c1	ZINC001171003519	972228104	/nfs/dbraw/zinc/22/81/04/972228104.db2.gz	WMCHFAVDEXEJSH-UHFFFAOYSA-N	-1	1	231.411	2.996	20	30		BFEDMM
N#Cc1cncc(Nc2cc(F)c(F)cc2[O-])c1	ZINC001210089502	957638308	/nfs/dbraw/zinc/63/83/08/957638308.db2.gz	PAEAUPFRFZZQJJ-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
N#Cc1ccc([O-])cc1OC1CCC(C#N)CC1	ZINC001228005948	963656309	/nfs/dbraw/zinc/65/63/09/963656309.db2.gz	ULDGNPZMHOGGFR-UHFFFAOYSA-N	-1	1	242.278	2.725	20	30		BFEDMM
COc1ccc(-c2cc(/C=N/[O-])ccc2F)cn1	ZINC001239727668	967118964	/nfs/dbraw/zinc/11/89/64/967118964.db2.gz	FNTYNXCIWVFCLH-FRKPEAEDSA-N	-1	1	246.241	2.704	20	30		BFEDMM
Cc1cc(-c2ccc(C#N)cn2)cc([O-])c1F	ZINC001250461951	967887543	/nfs/dbraw/zinc/88/75/43/967887543.db2.gz	CKVNLXSDPFVYTD-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1cc(F)ccc1Nc1ncc(F)cc1[O-]	ZINC001210549938	969931396	/nfs/dbraw/zinc/93/13/96/969931396.db2.gz	FJEYSBQMPRCBFS-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
N#CCc1ncccc1-c1cc(F)c([O-])cc1F	ZINC001211360845	970253094	/nfs/dbraw/zinc/25/30/94/970253094.db2.gz	XZCSAXQQGBXIDK-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
C#C[C@@H](CC)O/C(=N\[O-])c1cc(F)ccc1F	ZINC001223889295	973322560	/nfs/dbraw/zinc/32/25/60/973322560.db2.gz	BCRUFZBFNCZJGF-YHMWOKNVSA-N	-1	1	239.221	2.529	20	30		BFEDMM
CC[C@H](C)O/C(=N\[O-])c1cc(F)ccc1F	ZINC001223888697	973322726	/nfs/dbraw/zinc/32/27/26/973322726.db2.gz	QUKUVYIXWZAJOK-GWLWYURSSA-N	-1	1	229.226	2.916	20	30		BFEDMM
C#C[C@H]1CCC[C@@H]1Oc1cc([O-])ccc1C(C)=O	ZINC001225619334	974599702	/nfs/dbraw/zinc/59/97/02/974599702.db2.gz	TWAHVOGYKTWEIN-FZMZJTMJSA-N	-1	1	244.290	2.776	20	30		BFEDMM
C=CC[C@@H](C=C)Oc1cc([O-])cc(O)c1C(C)=O	ZINC001225674140	974638746	/nfs/dbraw/zinc/63/87/46/974638746.db2.gz	DMRDVMYFEGJYJN-LLVKDONJSA-N	-1	1	248.278	2.810	20	30		BFEDMM
C=C[C@H](C)Oc1cc(=O)[n-]c(-c2ccccc2)n1	ZINC001226181216	974819586	/nfs/dbraw/zinc/81/95/86/974819586.db2.gz	CNUCQZNTMHAJLT-JTQLQIEISA-N	-1	1	242.278	2.803	20	30		BFEDMM
C=C[C@H](CCC)Oc1[n-]c(=S)ncc1OC	ZINC001226247724	974837951	/nfs/dbraw/zinc/83/79/51/974837951.db2.gz	ZXGOMUWKHHOGDH-MRVPVSSYSA-N	-1	1	240.328	2.507	20	30		BFEDMM
C=CC[C@@H](Oc1cnc[n-]c1=O)c1ccccc1	ZINC001227049425	975236489	/nfs/dbraw/zinc/23/64/89/975236489.db2.gz	UHITXNWMNPQQSX-GFCCVEGCSA-N	-1	1	242.278	2.878	20	30		BFEDMM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cnc[n-]c1=O	ZINC001227051688	975239541	/nfs/dbraw/zinc/23/95/41/975239541.db2.gz	NRYCBAMHFKBIBJ-GRYCIOLGSA-N	-1	1	248.326	2.942	20	30		BFEDMM
C[C@H](COC(C)(C)C)Oc1cc([O-])ccc1C#N	ZINC001228004772	975848277	/nfs/dbraw/zinc/84/82/77/975848277.db2.gz	GFPQERBOSLMDOE-SNVBAGLBSA-N	-1	1	249.310	2.846	20	30		BFEDMM
C=CC[C@@H](CCCC)Oc1cnnc(=S)[n-]1	ZINC001228635739	976394167	/nfs/dbraw/zinc/39/41/67/976394167.db2.gz	CIZCAPGUKKRDOY-VIFPVBQESA-N	-1	1	239.344	2.674	20	30		BFEDMM
C#C[C@H](CC)Oc1ccccc1/C(C)=N/[O-]	ZINC001229737254	976974304	/nfs/dbraw/zinc/97/43/04/976974304.db2.gz	SVBCGZNEFZFHRK-ZTMOJVSCSA-N	-1	1	217.268	2.675	20	30		BFEDMM
N#Cc1cccc(C#N)c1Nc1cccc([O-])c1	ZINC001174892321	977148607	/nfs/dbraw/zinc/14/86/07/977148607.db2.gz	NOIFKBXEFJUKPI-UHFFFAOYSA-N	-1	1	235.246	2.879	20	30		BFEDMM
N#Cc1ccc(Nc2c(F)ccc([O-])c2F)cn1	ZINC001175262844	977360696	/nfs/dbraw/zinc/36/06/96/977360696.db2.gz	OGDOHJKFYHZNLN-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
Cc1coc([N-]c2cncs2)c1C#N	ZINC001175496677	977456468	/nfs/dbraw/zinc/45/64/68/977456468.db2.gz	QQTDCABBESPJFP-UHFFFAOYSA-N	-1	1	205.242	2.660	20	30		BFEDMM
C=CCCC[N-]C(=O)C(F)(F)C(F)(F)Cl	ZINC001179781459	978749295	/nfs/dbraw/zinc/74/92/95/978749295.db2.gz	CISHNKZHCDJRGC-UHFFFAOYSA-N	-1	1	247.619	2.536	20	30		BFEDMM
[O-]N=Cc1ccccc1O[C@@H]1C[C@H]2C=C[C@@H]1C2	ZINC001234818602	978904515	/nfs/dbraw/zinc/90/45/15/978904515.db2.gz	BZOGRVFNPZNRJS-MISXGVKJSA-N	-1	1	229.279	2.838	20	30		BFEDMM
C#C[C@H]1CCC[C@H]1Oc1ccccc1C=N[O-]	ZINC001234819069	978905595	/nfs/dbraw/zinc/90/55/95/978905595.db2.gz	GVJOTWQSJZTVRV-WCQYABFASA-N	-1	1	229.279	2.675	20	30		BFEDMM
C#C[C@@H](CC(C)C)Oc1ccccc1C=N[O-]	ZINC001234817835	978908180	/nfs/dbraw/zinc/90/81/80/978908180.db2.gz	ADDNVTBFRGGXIU-ZDUSSCGKSA-N	-1	1	231.295	2.921	20	30		BFEDMM
CC#C[C@@H](CC)Oc1nc2sccc2[n-]1	ZINC001234848636	978915674	/nfs/dbraw/zinc/91/56/74/978915674.db2.gz	RRRGCAKTJMIJLV-MRVPVSSYSA-N	-1	1	220.297	2.805	20	30		BFEDMM
C=CC[C@H]1CCN1[C@@H](C(=O)[O-])c1ccsc1	ZINC001602855075	979310457	/nfs/dbraw/zinc/31/04/57/979310457.db2.gz	FXLKQXHHTBRANB-WDEREUQCSA-N	-1	1	237.324	2.524	20	30		BFEDMM
CN(CC#N)Cc1cc(Cl)c(Cl)cc1[O-]	ZINC001236796361	979737396	/nfs/dbraw/zinc/73/73/96/979737396.db2.gz	OJVKYBFLVYXOPU-UHFFFAOYSA-N	-1	1	245.109	2.654	20	30		BFEDMM
C=CCSc1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000005154813	979958323	/nfs/dbraw/zinc/95/83/23/979958323.db2.gz	TYHAASWKUJJKKQ-UHFFFAOYSA-N	-1	1	244.319	2.715	20	30		BFEDMM
N#Cc1cccc([O-])c1NC(=O)OC1CCCC1	ZINC001193565782	981372343	/nfs/dbraw/zinc/37/23/43/981372343.db2.gz	QBTWOUHCSALJIT-UHFFFAOYSA-N	-1	1	246.266	2.755	20	30		BFEDMM
C=CCOC(=O)Nc1ccc(Cl)cc1[O-]	ZINC001194318862	981658364	/nfs/dbraw/zinc/65/83/64/981658364.db2.gz	CEYJJHSXDJYJDF-UHFFFAOYSA-N	-1	1	227.647	2.780	20	30		BFEDMM
CC(C)(C)COC(=O)Nc1ccc([O-])c(C#N)c1	ZINC001194384883	981793641	/nfs/dbraw/zinc/79/36/41/981793641.db2.gz	DXEKDBCZBFTMMO-UHFFFAOYSA-N	-1	1	248.282	2.858	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)Cc1coc2ccccc12	ZINC001583409262	981815404	/nfs/dbraw/zinc/81/54/04/981815404.db2.gz	XTUZJHIIJKBXRT-SNVBAGLBSA-N	-1	1	245.278	2.598	20	30		BFEDMM
Cc1ccnc(-c2c(F)ccc([O-])c2F)c1C#N	ZINC001241290240	982423917	/nfs/dbraw/zinc/42/39/17/982423917.db2.gz	JPFOZXSJYDGSIE-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
N#CCc1cccc(-c2c(F)ccc([O-])c2F)n1	ZINC001241290706	982427281	/nfs/dbraw/zinc/42/72/81/982427281.db2.gz	BNNWFLHBRXAFGR-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
COc1ncc(-c2cccc(/C=N/[O-])c2)s1	ZINC001241413985	982559587	/nfs/dbraw/zinc/55/95/87/982559587.db2.gz	CSJOMKMXAYHHFC-AWNIVKPZSA-N	-1	1	234.280	2.627	20	30		BFEDMM
COc1cc(-c2cccc(/C=N/[O-])c2)c(F)cn1	ZINC001241665016	982897204	/nfs/dbraw/zinc/89/72/04/982897204.db2.gz	UQQMMQLWCKWALE-FRKPEAEDSA-N	-1	1	246.241	2.704	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1ccc(F)cn1	ZINC001241810633	983073533	/nfs/dbraw/zinc/07/35/33/983073533.db2.gz	UCXLIKCFRRZATG-UHFFFAOYSA-N	-1	1	216.215	2.696	20	30		BFEDMM
C#C[C@](C)(CC)N[C@@H](C(=O)[O-])c1ccccc1C	ZINC001588367045	983296786	/nfs/dbraw/zinc/29/67/86/983296786.db2.gz	HNSVJJZMIFIUPX-UKRRQHHQSA-N	-1	1	245.322	2.512	20	30		BFEDMM
N#CCc1cnc(F)c(-c2ccc(F)cc2[O-])c1	ZINC001242219398	983425429	/nfs/dbraw/zinc/42/54/29/983425429.db2.gz	ROFQUAKVTNKLRT-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1ncccc1-c1cc(/C=N/[O-])ccc1F	ZINC001242311846	983543311	/nfs/dbraw/zinc/54/33/11/983543311.db2.gz	JAGYLGOUDRONIV-CAOOACKPSA-N	-1	1	241.225	2.567	20	30		BFEDMM
Cc1oncc1-c1cc(/C=N/[O-])ccc1F	ZINC001242603733	983959925	/nfs/dbraw/zinc/95/99/25/983959925.db2.gz	LQQJMMBCGMHSNT-WLRTZDKTSA-N	-1	1	220.203	2.597	20	30		BFEDMM
N#CCc1cncc(-c2ccc([O-])c(F)c2F)c1	ZINC001243343184	984833764	/nfs/dbraw/zinc/83/37/64/984833764.db2.gz	YHPGMXSKCULXOT-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
[O-]/N=C/c1cccc(-c2cc(F)nc(F)c2)c1	ZINC001243968918	985690544	/nfs/dbraw/zinc/69/05/44/985690544.db2.gz	IEANVAVYRXJDOO-VIZOYTHASA-N	-1	1	234.205	2.835	20	30		BFEDMM
Cc1ccc([O-])c(-c2cc(C)c(C#N)cn2)c1	ZINC001244402443	986062910	/nfs/dbraw/zinc/06/29/10/986062910.db2.gz	GWMFRYOSTAXBDP-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
N#Cc1ncc(-c2c(Cl)ccc([O-])c2F)cn1	ZINC001244539650	986239635	/nfs/dbraw/zinc/23/96/35/986239635.db2.gz	AXHDFFGHNNEEKT-UHFFFAOYSA-N	-1	1	249.632	2.513	20	30		BFEDMM
N#Cc1cc(-c2c([O-])cccc2F)cnc1F	ZINC001245654668	987029806	/nfs/dbraw/zinc/02/98/06/987029806.db2.gz	GIOGOXSHCALRCI-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
CC(C)(C)ON=Cc1cc(F)cc(F)c1[O-]	ZINC001119355721	989003322	/nfs/dbraw/zinc/00/33/22/989003322.db2.gz	XQYMFNXDPHCOMX-UHFFFAOYSA-N	-1	1	229.226	2.819	20	30		BFEDMM
C=CC[C@H]1CC[N@@H+]1Cc1cc(C(=O)[O-])ccc1F	ZINC001602855632	989250924	/nfs/dbraw/zinc/25/09/24/989250924.db2.gz	WAENWPNOFDYXDH-LBPRGKRZSA-N	-1	1	249.285	2.674	20	30		BFEDMM
C=CC[C@H]1CCN1Cc1cc(C(=O)[O-])ccc1F	ZINC001602855632	989250934	/nfs/dbraw/zinc/25/09/34/989250934.db2.gz	WAENWPNOFDYXDH-LBPRGKRZSA-N	-1	1	249.285	2.674	20	30		BFEDMM
N#Cc1ccc([N-]c2nonc2C2CC2)cc1	ZINC001249706831	989345230	/nfs/dbraw/zinc/34/52/30/989345230.db2.gz	VMJNIFCQDXCRGW-UHFFFAOYSA-N	-1	1	226.239	2.562	20	30		BFEDMM
N#CC(=C([O-])c1cccs1)c1cccc(F)n1	ZINC001524695765	990007222	/nfs/dbraw/zinc/00/72/22/990007222.db2.gz	JIGGBCRNWQHAJI-MRVPVSSYSA-N	-1	1	246.266	2.772	20	30		BFEDMM
C=CC[C@@H](CC)NC(=O)c1cccc([O-])c1F	ZINC001139355688	991229324	/nfs/dbraw/zinc/22/93/24/991229324.db2.gz	IKGMWCIRBYZVJE-SECBINFHSA-N	-1	1	237.274	2.616	20	30		BFEDMM
N#C[C@@H]1CCCN1Cc1ccc(Cl)cc1[O-]	ZINC001140461199	991644453	/nfs/dbraw/zinc/64/44/53/991644453.db2.gz	GYDJDOJTOXMVOU-NSHDSACASA-N	-1	1	236.702	2.534	20	30		BFEDMM
C=C(C)Cn1[n-]c2c(c1=O)C[C@H](C(C)C)CC2	ZINC000634603670	342996224	/nfs/dbraw/zinc/99/62/24/342996224.db2.gz	GONJILBCESAMKT-VXGBXAGGSA-N	-1	1	234.343	2.833	20	30		BFEDMM
C=CC[C@H](CC)NC(=O)c1cc(F)ccc1[O-]	ZINC000393817098	259392452	/nfs/dbraw/zinc/39/24/52/259392452.db2.gz	DTTCFKHTMOCKFM-JTQLQIEISA-N	-1	1	237.274	2.616	20	30		BFEDMM
CC[C@H](C)[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596088231	348443411	/nfs/dbraw/zinc/44/34/11/348443411.db2.gz	MZRLYSOMUWLIDX-NKWVEPMBSA-N	-1	1	243.763	2.937	20	30		BFEDMM
CCc1cc(=O)[n-]c(SCC2(C#N)CCC2)n1	ZINC000450913944	202308855	/nfs/dbraw/zinc/30/88/55/202308855.db2.gz	VTUYOGKFEOZHEO-UHFFFAOYSA-N	-1	1	249.339	2.531	20	30		BFEDMM
C=CCCCCNC(=O)c1c([O-])cccc1F	ZINC000383269185	367609344	/nfs/dbraw/zinc/60/93/44/367609344.db2.gz	JCWUFKGRVGHQNL-UHFFFAOYSA-N	-1	1	237.274	2.617	20	30		BFEDMM
CCCc1c(C)[n-]n(-c2cccc(C#N)c2)c1=O	ZINC000603921576	369997962	/nfs/dbraw/zinc/99/79/62/369997962.db2.gz	XEPDMYXFHKAOOW-CYBMUJFWSA-N	-1	1	241.294	2.697	20	30		BFEDMM
N#CCN(Cc1cccc([O-])c1Cl)C1CC1	ZINC000295507847	135190211	/nfs/dbraw/zinc/19/02/11/135190211.db2.gz	YWTDFGGGUBUTOZ-UHFFFAOYSA-N	-1	1	236.702	2.534	20	30		BFEDMM
C=CC[C@@H](CC)NC(=O)c1ccc([O-])cc1F	ZINC000281825649	135370479	/nfs/dbraw/zinc/37/04/79/135370479.db2.gz	WBVURNOXBZXGTP-SECBINFHSA-N	-1	1	237.274	2.616	20	30		BFEDMM
C=CCN(CC(=O)[O-])Cc1c(C)cc(C)cc1C	ZINC000076632633	166326731	/nfs/dbraw/zinc/32/67/31/166326731.db2.gz	YJYUIGSIQPMJNE-UHFFFAOYSA-N	-1	1	247.338	2.684	20	30		BFEDMM
CC[C@@H](C)CON=c1[n-]cc(C#N)cc1Cl	ZINC000291759242	170711999	/nfs/dbraw/zinc/71/19/99/170711999.db2.gz	GMDDOYZTVHYFBA-MRVPVSSYSA-N	-1	1	239.706	2.996	20	30		BFEDMM
CC[C@H](C)CON=c1[n-]cc(C#N)cc1Cl	ZINC000291759244	171291147	/nfs/dbraw/zinc/29/11/47/171291147.db2.gz	GMDDOYZTVHYFBA-QMMMGPOBSA-N	-1	1	239.706	2.996	20	30		BFEDMM
C=C(C)CN(CC)[C@@H](C(=O)[O-])c1ccsc1	ZINC000570051651	323048816	/nfs/dbraw/zinc/04/88/16/323048816.db2.gz	UDLBDRAOVCGQRY-LLVKDONJSA-N	-1	1	239.340	2.772	20	30		BFEDMM
C#CCC1(C(=O)[N-]OCC2CCC2)CCCCC1	ZINC000856350147	588869625	/nfs/dbraw/zinc/86/96/25/588869625.db2.gz	CZUXLTNWXSGYPJ-UHFFFAOYSA-N	-1	1	249.354	2.808	20	30		BFEDMM
O=C(c1ccccc1)c1ccccc1/C(O)=N/[O-]	ZINC000141337614	583553725	/nfs/dbraw/zinc/55/37/25/583553725.db2.gz	ZRYVCYVRQJTFHF-UHFFFAOYSA-N	-1	1	241.246	2.611	20	30		BFEDMM
O=C(/C=C\c1nccs1)c1ccc([O-])cc1	ZINC000730085058	584122511	/nfs/dbraw/zinc/12/25/11/584122511.db2.gz	MCDOPIWDTXSPKG-WAYWQWQTSA-N	-1	1	231.276	2.745	20	30		BFEDMM
C=CCCCCNc1cc(Cl)[n-]c(=O)n1	ZINC000858486822	588960066	/nfs/dbraw/zinc/96/00/66/588960066.db2.gz	QGOJBLSCNOWLDZ-UHFFFAOYSA-N	-1	1	227.695	2.604	20	30		BFEDMM
C=C1CCC(C(=O)[N-]Oc2ccccc2F)CC1	ZINC000899197529	584180137	/nfs/dbraw/zinc/18/01/37/584180137.db2.gz	NJPOVKWNIGMRSJ-UHFFFAOYSA-N	-1	1	249.285	2.982	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2cc(C)cc(C)c2)[n-]1	ZINC000899346384	584199224	/nfs/dbraw/zinc/19/92/24/584199224.db2.gz	LSNXUURIKXGHAL-UHFFFAOYSA-N	-1	1	240.306	2.810	20	30		BFEDMM
C#CCc1c(C)[n-]n([C@@H]2CCCCC2(C)C)c1=O	ZINC000899355757	584201556	/nfs/dbraw/zinc/20/15/56/584201556.db2.gz	UWOHBSQRDMCFFL-CHWSQXEVSA-N	-1	1	246.354	2.813	20	30		BFEDMM
C=C1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)CC1	ZINC000902231835	584542535	/nfs/dbraw/zinc/54/25/35/584542535.db2.gz	SMZFFDWGGZWVPA-PLNGDYQASA-N	-1	1	247.294	2.529	20	30		BFEDMM
CC(=NOCC(C)C)c1ccc([O-])c(F)c1	ZINC000749631147	585204753	/nfs/dbraw/zinc/20/47/53/585204753.db2.gz	IHYUIYKSZBSGAQ-UHFFFAOYSA-N	-1	1	225.263	2.928	20	30		BFEDMM
CC(C)CON=Cc1ccc([O-])c(F)c1	ZINC000755802208	585307702	/nfs/dbraw/zinc/30/77/02/585307702.db2.gz	QVIAYQDVROGXHO-UHFFFAOYSA-N	-1	1	211.236	2.538	20	30		BFEDMM
CCC(=NOCC(F)F)c1ccc([O-])c(F)c1	ZINC000758900498	585361924	/nfs/dbraw/zinc/36/19/24/585361924.db2.gz	XGVIWBXFJZYASW-UHFFFAOYSA-N	-1	1	247.216	2.927	20	30		BFEDMM
CC(=NNCC(F)F)c1ccc([O-])c(Cl)c1	ZINC000768776519	585543160	/nfs/dbraw/zinc/54/31/60/585543160.db2.gz	PLOLNWVTFOWXCR-UHFFFAOYSA-N	-1	1	248.660	2.624	20	30		BFEDMM
C=C(CC)COC(=O)c1ccc([O-])cc1F	ZINC000773567372	585640505	/nfs/dbraw/zinc/64/05/05/585640505.db2.gz	KVIUFGYSWCEJNF-UHFFFAOYSA-N	-1	1	224.231	2.654	20	30		BFEDMM
C#CCC1(C(=O)[N-]OC2CCCC2)CCCCC1	ZINC000788238512	585919927	/nfs/dbraw/zinc/91/99/27/585919927.db2.gz	OLHJYMQCCSOMNJ-UHFFFAOYSA-N	-1	1	249.354	2.951	20	30		BFEDMM
Cc1cc(C)c(C(=O)/C=C/c2cn[nH]c2)c([O-])c1	ZINC000799894899	586202013	/nfs/dbraw/zinc/20/20/13/586202013.db2.gz	IEMPXOBHTNKGAW-ONEGZZNKSA-N	-1	1	242.278	2.628	20	30		BFEDMM
C#CCCCc1nc(-c2ccc([O-])c(F)c2)no1	ZINC000809471873	586506083	/nfs/dbraw/zinc/50/60/83/586506083.db2.gz	VWPBFIVXOMTVQL-UHFFFAOYSA-N	-1	1	246.241	2.537	20	30		BFEDMM
C=C(C)CNN=Cc1ccc([O-])c(Cl)c1	ZINC000811652826	586563422	/nfs/dbraw/zinc/56/34/22/586563422.db2.gz	ZBIZIXVXNMQGCC-UHFFFAOYSA-N	-1	1	224.691	2.545	20	30		BFEDMM
CC(=NOC1CCC1)c1ccc([O-])c(F)c1	ZINC000812237215	586571856	/nfs/dbraw/zinc/57/18/56/586571856.db2.gz	POKNZLYAEHJGQH-UHFFFAOYSA-N	-1	1	223.247	2.824	20	30		BFEDMM
CC(C)CNN=Cc1cccc([O-])c1Cl	ZINC000814891970	586643884	/nfs/dbraw/zinc/64/38/84/586643884.db2.gz	FOXXLPXHNLQMRM-UHFFFAOYSA-N	-1	1	226.707	2.625	20	30		BFEDMM
CC[C@@H](C)NN=Cc1cccc([O-])c1Cl	ZINC000814913689	586649783	/nfs/dbraw/zinc/64/97/83/586649783.db2.gz	SUMFNUZHPPPUFQ-MRVPVSSYSA-N	-1	1	226.707	2.768	20	30		BFEDMM
C=CCC(F)(F)C(=O)Nc1c([O-])cccc1F	ZINC000815877318	586695797	/nfs/dbraw/zinc/69/57/97/586695797.db2.gz	LQGDOBZDMKWRPX-UHFFFAOYSA-N	-1	1	245.200	2.681	20	30		BFEDMM
CC#CCN(CC(=O)[O-])[C@H](CC)c1ccccc1	ZINC000833380984	587711917	/nfs/dbraw/zinc/71/19/17/587711917.db2.gz	WOEQFFCNQOLEIN-CQSZACIVSA-N	-1	1	245.322	2.548	20	30		BFEDMM
C=CCC1([N-]C(=O)C(F)(F)F)CCCCC1	ZINC000836957210	587843699	/nfs/dbraw/zinc/84/36/99/587843699.db2.gz	QYJUEUZEJYUPEU-UHFFFAOYSA-N	-1	1	235.249	2.944	20	30		BFEDMM
C=CCO[N-]C(=O)[C@@H](C)c1ccc(CC)cc1	ZINC000837046835	587850554	/nfs/dbraw/zinc/85/05/54/587850554.db2.gz	PZNDLIYADGNSBJ-NSHDSACASA-N	-1	1	233.311	2.586	20	30		BFEDMM
CCCNN=C(C)c1ccc(Cl)cc1[O-]	ZINC000841619736	587960741	/nfs/dbraw/zinc/96/07/41/587960741.db2.gz	QULLXOAXCLXSKT-UHFFFAOYSA-N	-1	1	226.707	2.769	20	30		BFEDMM
CC(=NNCC(F)F)c1ccc(Cl)cc1[O-]	ZINC000841626467	587961707	/nfs/dbraw/zinc/96/17/07/587961707.db2.gz	RABSHENYUCQHDP-UHFFFAOYSA-N	-1	1	248.660	2.624	20	30		BFEDMM
C=C[C@H](C)ON=C(C)c1ccc([O-])c(F)c1	ZINC000844623009	588210231	/nfs/dbraw/zinc/21/02/31/588210231.db2.gz	DBWREZSGVKYYBK-QMMMGPOBSA-N	-1	1	223.247	2.846	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)[C@H](C)c1cccc(C)c1	ZINC000846546519	588274286	/nfs/dbraw/zinc/27/42/86/588274286.db2.gz	WHTDGDYJPNDAKN-NWDGAFQWSA-N	-1	1	233.311	2.721	20	30		BFEDMM
CC[C@H](C)CON=c1cc(C#N)[n-]c(C2CC2)n1	ZINC000865827083	589463629	/nfs/dbraw/zinc/46/36/29/589463629.db2.gz	RTIMMWWROWTKJK-VIFPVBQESA-N	-1	1	246.314	2.615	20	30		BFEDMM
CSCCON=C(C)c1c([O-])cccc1F	ZINC000884460202	591941316	/nfs/dbraw/zinc/94/13/16/591941316.db2.gz	SMLACAJEIIWLKV-UHFFFAOYSA-N	-1	1	243.303	2.635	20	30		BFEDMM
C=C[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])o1	ZINC000902545513	637308203	/nfs/dbraw/zinc/30/82/03/637308203.db2.gz	YBHHWDQMHCPOAP-SNVBAGLBSA-N	-1	1	235.283	2.518	20	30		BFEDMM
O=C1c2ccc([O-])cc2CC/C1=C\c1cocn1	ZINC000188047335	641742948	/nfs/dbraw/zinc/74/29/48/641742948.db2.gz	STUNNFYDKUVOTL-BJMVGYQFSA-N	-1	1	241.246	2.593	20	30		BFEDMM
Cc1cc(=O)[n-]c(N=NC(C)CCC(C)C)n1	ZINC000916241480	641919521	/nfs/dbraw/zinc/91/95/21/641919521.db2.gz	DRRQQFPQUHVHSO-UHFFFAOYSA-N	-1	1	236.319	2.715	20	30		BFEDMM
C=C(Cl)CSc1nc(CCC)cc(=O)[n-]1	ZINC000071877663	643193942	/nfs/dbraw/zinc/19/39/42/643193942.db2.gz	SWDMNVOXYZOVKH-UHFFFAOYSA-N	-1	1	244.747	2.979	20	30		BFEDMM
O=C(/C=C/c1ccc(F)nc1)c1ccc([O-])cc1	ZINC000186374252	643688405	/nfs/dbraw/zinc/68/84/05/643688405.db2.gz	IIWFWKAZMXANOO-LREOWRDNSA-N	-1	1	243.237	2.822	20	30		BFEDMM
C#CCO[N-]C(=O)CC(C)(C)C1CCCCC1	ZINC000812784211	644932169	/nfs/dbraw/zinc/93/21/69/644932169.db2.gz	BQASSBSEEMBPTO-UHFFFAOYSA-N	-1	1	237.343	2.664	20	30		BFEDMM
C#CCO[N-]C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1	ZINC000812786249	712586435	/nfs/dbraw/zinc/58/64/35/712586435.db2.gz	GGHZLKLNICGIDY-VXGBXAGGSA-N	-1	1	237.343	2.520	20	30		BFEDMM
C#C[C@H](CC)Oc1cc([O-])ccc1C(=O)CC	ZINC001229474126	976877345	/nfs/dbraw/zinc/87/73/45/976877345.db2.gz	AMPMQEVBZPWSPW-LLVKDONJSA-N	-1	1	232.279	2.776	20	30		BFEDMM
C#C[C@H](C)Oc1cc([O-])ccc1C(=O)CCC	ZINC001233650472	978662702	/nfs/dbraw/zinc/66/27/02/978662702.db2.gz	KPJADCGQMWPTBX-JTQLQIEISA-N	-1	1	232.279	2.776	20	30		BFEDMM
C#C[C@@H](Oc1cc([O-])ccc1C(C)=O)C(C)C	ZINC001225619561	974596719	/nfs/dbraw/zinc/59/67/19/974596719.db2.gz	WIEXGPCIKKQORV-CYBMUJFWSA-N	-1	1	232.279	2.631	20	30		BFEDMM
N#Cc1ccc(O)c(Nc2ccc(F)cc2[O-])c1	ZINC001210016431	957604547	/nfs/dbraw/zinc/60/45/47/957604547.db2.gz	GOFYSQWNBRBNIJ-UHFFFAOYSA-N	-1	1	244.225	2.852	20	30		BFEDMM
C=CC[N@H+](C)Cc1ccc(Cl)cc1C(=O)[O-]	ZINC001142660277	961567608	/nfs/dbraw/zinc/56/76/08/961567608.db2.gz	MMCTUMPYUGGDHZ-UHFFFAOYSA-N	-1	1	239.702	2.656	20	30		BFEDMM
C=C[C@@H](C)Oc1cc([O-])ccc1C(C)=O	ZINC001225616552	962432785	/nfs/dbraw/zinc/43/27/85/962432785.db2.gz	LOJLABDEQKBJMO-MRVPVSSYSA-N	-1	1	206.241	2.548	20	30		BFEDMM
CC1(C)C[C@H](Oc2cc([O-])ccc2C#N)CCO1	ZINC001228007405	963656617	/nfs/dbraw/zinc/65/66/17/963656617.db2.gz	PPNQNXDPVHSCMD-GFCCVEGCSA-N	-1	1	247.294	2.600	20	30		BFEDMM
Cc1coc([N-]c2ccc([N+](=O)[O-])nc2)c1C#N	ZINC001203569433	966694666	/nfs/dbraw/zinc/69/46/66/966694666.db2.gz	DTUOIOKSLICQME-UHFFFAOYSA-N	-1	1	244.210	2.507	20	30		BFEDMM
Cc1cccnc1-c1ccc([O-])c(C#N)c1	ZINC001250469993	967893731	/nfs/dbraw/zinc/89/37/31/967893731.db2.gz	HJNSFOZSYUEEEO-UHFFFAOYSA-N	-1	1	210.236	2.634	20	30		BFEDMM
N#Cc1cc(N)ccc1Nc1cc([O-])cc(F)c1	ZINC001208125516	969019605	/nfs/dbraw/zinc/01/96/05/969019605.db2.gz	LNGYQVCJSUATTP-UHFFFAOYSA-N	-1	1	243.241	2.729	20	30		BFEDMM
N#Cc1ccc(Nc2c([O-])cc(F)cc2F)cn1	ZINC001209569178	969550474	/nfs/dbraw/zinc/55/04/74/969550474.db2.gz	SKRZNORYRZGSQP-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
Cc1ncc(C#N)cc1Nc1ccc(F)cc1[O-]	ZINC001210016243	969760497	/nfs/dbraw/zinc/76/04/97/969760497.db2.gz	ZKHPBIAPMMYMLB-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
N#Cc1ncccc1Nc1c([O-])cc(F)cc1F	ZINC001210144295	969811600	/nfs/dbraw/zinc/81/16/00/969811600.db2.gz	LGBWLKQEYWHZEK-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
N#Cc1ncccc1Nc1ccc(F)c(F)c1[O-]	ZINC001210148546	969813906	/nfs/dbraw/zinc/81/39/06/969813906.db2.gz	LQMDPXZPAONNIV-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
N#Cc1cccc(Nc2cccc(F)c2[O-])n1	ZINC001210195027	969827389	/nfs/dbraw/zinc/82/73/89/969827389.db2.gz	JXSZNVKFJSRNHV-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
N#Cc1cc(F)ccc1[N-]c1nonc1C1CC1	ZINC001210552203	969935618	/nfs/dbraw/zinc/93/56/18/969935618.db2.gz	WZYVZPHQIXNOSS-UHFFFAOYSA-N	-1	1	244.229	2.701	20	30		BFEDMM
C#CC[C@@H](C)O/C(=N\[O-])c1ccc(Cl)cc1	ZINC001223593897	973179192	/nfs/dbraw/zinc/17/91/92/973179192.db2.gz	PZDKUSILCAOJRW-USPJWIJHSA-N	-1	1	237.686	2.904	20	30		BFEDMM
[O-]/N=C(\OC1CCC1)c1cc(F)ccc1F	ZINC001223888832	973324840	/nfs/dbraw/zinc/32/48/40/973324840.db2.gz	RZEAYVHNMAOACZ-KAMYIIQDSA-N	-1	1	227.210	2.670	20	30		BFEDMM
C#CC[C@H](C)O/C(=N\[O-])c1cc(F)ccc1F	ZINC001223890464	973325887	/nfs/dbraw/zinc/32/58/87/973325887.db2.gz	VBAXNLNHSZMTIA-NCCGYGPPSA-N	-1	1	239.221	2.529	20	30		BFEDMM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1cnc[n-]c1=O	ZINC001227051691	975239795	/nfs/dbraw/zinc/23/97/95/975239795.db2.gz	NRYCBAMHFKBIBJ-SRVKXCTJSA-N	-1	1	248.326	2.942	20	30		BFEDMM
C#C[C@@H](C)Oc1c(C(C)=O)ccc([O-])c1CC=C	ZINC001227120232	975286474	/nfs/dbraw/zinc/28/64/74/975286474.db2.gz	IKCHTDUHXPFWNI-SNVBAGLBSA-N	-1	1	244.290	2.724	20	30		BFEDMM
CO[C@@H](C)CCOc1ccccc1/C(C)=N/[O-]	ZINC001229737078	976970037	/nfs/dbraw/zinc/97/00/37/976970037.db2.gz	PFOLJYCOFPXVNC-AYDSOBSRSA-N	-1	1	237.299	2.689	20	30		BFEDMM
C=C[C@@H](C)Oc1cccnc1-c1ncccc1[O-]	ZINC001231201104	977534092	/nfs/dbraw/zinc/53/40/92/977534092.db2.gz	WXTXUOGNDCHRMW-SNVBAGLBSA-N	-1	1	242.278	2.803	20	30		BFEDMM
C=CCN(CC=C)Cc1cc([O-])c(F)c(F)c1	ZINC001232971948	978376129	/nfs/dbraw/zinc/37/61/29/978376129.db2.gz	CWDBSWUOSYTPRG-UHFFFAOYSA-N	-1	1	239.265	2.844	20	30		BFEDMM
C=C[C@@H](CC)Oc1ccccc1C=N[O-]	ZINC001234819668	978904900	/nfs/dbraw/zinc/90/49/00/978904900.db2.gz	NOXDBFVDSXUBOB-NSHDSACASA-N	-1	1	205.257	2.838	20	30		BFEDMM
CCCOC[C@H](C)Oc1ccccc1C=N[O-]	ZINC001234819100	978905506	/nfs/dbraw/zinc/90/55/06/978905506.db2.gz	HHCGWDWPKUSAHC-NSHDSACASA-N	-1	1	237.299	2.689	20	30		BFEDMM
C[C@@H](Oc1ccccc1C=N[O-])C1CC1	ZINC001234821484	978907801	/nfs/dbraw/zinc/90/78/01/978907801.db2.gz	FNQMHBZHOUIFAQ-SECBINFHSA-N	-1	1	205.257	2.672	20	30		BFEDMM
CCC#C[C@@H](C)Oc1ccccc1C=N[O-]	ZINC001234819943	978908619	/nfs/dbraw/zinc/90/86/19/978908619.db2.gz	QSXBHIRHSQTBFJ-LLVKDONJSA-N	-1	1	217.268	2.675	20	30		BFEDMM
[O-]N=Cc1ccccc1OC1CC=CC1	ZINC001234822753	978909744	/nfs/dbraw/zinc/90/97/44/978909744.db2.gz	NWXNBIHGPYUYFJ-UHFFFAOYSA-N	-1	1	203.241	2.592	20	30		BFEDMM
Cc1ncc(C#N)c(-c2cc([O-])cc(Cl)c2)n1	ZINC001235901171	979193938	/nfs/dbraw/zinc/19/39/38/979193938.db2.gz	SKKBPJPZDWMJPM-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
Cc1ccc(F)c(-c2cccc(CC#N)n2)c1[O-]	ZINC001236393335	979581599	/nfs/dbraw/zinc/58/15/99/979581599.db2.gz	RWDPSJLTDBDJNJ-UHFFFAOYSA-N	-1	1	242.253	2.968	20	30		BFEDMM
COc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cn1	ZINC001239728779	980881430	/nfs/dbraw/zinc/88/14/30/980881430.db2.gz	UUROIZUOBYDJAJ-LZYBPNLTSA-N	-1	1	246.241	2.704	20	30		BFEDMM
Cc1ccnc(C#N)c1-c1cc(F)ccc1[O-]	ZINC001240699181	981619943	/nfs/dbraw/zinc/61/99/43/981619943.db2.gz	JXPVBIZYNLNVNJ-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
CC[C@H](C)OC(=O)Nc1ccc(C#N)cc1[O-]	ZINC001195125883	982105299	/nfs/dbraw/zinc/10/52/99/982105299.db2.gz	RGPFSGKODKKWSF-QMMMGPOBSA-N	-1	1	234.255	2.611	20	30		BFEDMM
N#Cc1ccc(-c2ccccc2[O-])c(C#N)c1	ZINC001241014863	982110560	/nfs/dbraw/zinc/11/05/60/982110560.db2.gz	PXEFOIZKMWQKMI-UHFFFAOYSA-N	-1	1	220.231	2.803	20	30		BFEDMM
COc1cc(C#N)cnc1-c1ccc(C)cc1[O-]	ZINC001241030075	982126318	/nfs/dbraw/zinc/12/63/18/982126318.db2.gz	CDCKYOAXNBBVDO-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
Cc1ccnc(-c2cc([O-])cc(F)c2)c1C#N	ZINC001241256988	982396178	/nfs/dbraw/zinc/39/61/78/982396178.db2.gz	DLCNYJHAYULHQP-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1cnc(-c2cc([O-])cc(F)c2)c(F)c1	ZINC001241262993	982400863	/nfs/dbraw/zinc/40/08/63/982400863.db2.gz	VDMUPRBRCMZONF-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#CCc1ccnc(-c2c(F)ccc([O-])c2F)c1	ZINC001241288907	982426742	/nfs/dbraw/zinc/42/67/42/982426742.db2.gz	AWFKTEHRVVCQOW-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
Cc1cc(-c2c(F)ccc([O-])c2F)ncc1C#N	ZINC001241291720	982433621	/nfs/dbraw/zinc/43/36/21/982433621.db2.gz	SVDMSVHJXTYXRT-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
Cc1ccc(C#N)c(-c2cccc(C)c2[O-])n1	ZINC001242344117	983596109	/nfs/dbraw/zinc/59/61/09/983596109.db2.gz	PHMYDEGXDXSTFB-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
Cc1cccc(-c2ncccc2C#N)c1[O-]	ZINC001242343236	983596263	/nfs/dbraw/zinc/59/62/63/983596263.db2.gz	PXLPKCPARPHYTA-UHFFFAOYSA-N	-1	1	210.236	2.634	20	30		BFEDMM
Cc1cccc(-c2ncc(C#N)cc2F)c1[O-]	ZINC001242344681	983599539	/nfs/dbraw/zinc/59/95/39/983599539.db2.gz	UJLJYIRSZILSRT-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
CN(C)c1cccc(-c2ccc([O-])c(C#N)c2)c1	ZINC001242564927	983885100	/nfs/dbraw/zinc/88/51/00/983885100.db2.gz	BKJCVZGRAOLRGA-UHFFFAOYSA-N	-1	1	238.290	2.997	20	30		BFEDMM
N#Cc1cc(-c2cnc3ncccc3c2)ccc1[O-]	ZINC001242564919	983885178	/nfs/dbraw/zinc/88/51/78/983885178.db2.gz	BFXHSNSOUSYMSV-UHFFFAOYSA-N	-1	1	247.257	2.874	20	30		BFEDMM
CCOc1cncc(-c2ccccc2C=N[O-])c1	ZINC001242660143	984027678	/nfs/dbraw/zinc/02/76/78/984027678.db2.gz	JPPDVQWDULLDRN-UHFFFAOYSA-N	-1	1	242.278	2.955	20	30		BFEDMM
N#Cc1cc(C#N)cc(-c2cc([O-])ccc2F)c1	ZINC001242764858	984137172	/nfs/dbraw/zinc/13/71/72/984137172.db2.gz	SZOCZAJVFKKOQN-UHFFFAOYSA-N	-1	1	238.221	2.942	20	30		BFEDMM
Cc1cc(C#N)cnc1-c1ccc(F)c([O-])c1	ZINC001243050327	984404952	/nfs/dbraw/zinc/40/49/52/984404952.db2.gz	XCZHOMHYQCCJPR-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
C=CCOc1cc(C)nc(CCC)c1C(=O)[O-]	ZINC001588869543	984439194	/nfs/dbraw/zinc/43/91/94/984439194.db2.gz	JYWLJSYFIDUVSL-UHFFFAOYSA-N	-1	1	235.283	2.606	20	30		BFEDMM
Cc1cc(-c2ccnc(C#N)c2)cc([O-])c1F	ZINC001244517169	986216205	/nfs/dbraw/zinc/21/62/05/986216205.db2.gz	KGZAAWLRRFXCQY-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1nc(C#N)cnc1-c1ccc([O-])cc1Cl	ZINC001245080235	986621136	/nfs/dbraw/zinc/62/11/36/986621136.db2.gz	WHVTZILSAGKILJ-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
CCOc1cc(-c2ccccc2C=N[O-])ccn1	ZINC001245269449	986772219	/nfs/dbraw/zinc/77/22/19/986772219.db2.gz	YRYPBHVKXOXTDJ-UHFFFAOYSA-N	-1	1	242.278	2.955	20	30		BFEDMM
Nc1ncc(-c2cccc(/C=N/[O-])c2)cc1Cl	ZINC001245564741	986963296	/nfs/dbraw/zinc/96/32/96/986963296.db2.gz	HSGYFHCUPGEHHO-OMCISZLKSA-N	-1	1	247.685	2.792	20	30		BFEDMM
N#Cc1cc(C#N)cc(-c2c([O-])cccc2F)c1	ZINC001245654254	987028271	/nfs/dbraw/zinc/02/82/71/987028271.db2.gz	BMFZCDCDWVSKKH-UHFFFAOYSA-N	-1	1	238.221	2.942	20	30		BFEDMM
CCCCc1cc(=O)n(-c2cccc(C#N)c2)[n-]1	ZINC001245926024	987180949	/nfs/dbraw/zinc/18/09/49/987180949.db2.gz	BPQBICQCIBKWBF-UHFFFAOYSA-N	-1	1	241.294	2.792	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2cc(F)ccc2C)[n-]1	ZINC001245952346	987229526	/nfs/dbraw/zinc/22/95/26/987229526.db2.gz	XKRHXUMFLURLBN-UHFFFAOYSA-N	-1	1	244.269	2.591	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccccc2CC)[n-]1	ZINC001245952332	987231044	/nfs/dbraw/zinc/23/10/44/987231044.db2.gz	XEVDNHSFRTWJTN-UHFFFAOYSA-N	-1	1	240.306	2.706	20	30		BFEDMM
C=CCC1([N-]C(=O)C(F)(F)F)CCCC1	ZINC000690779332	987281463	/nfs/dbraw/zinc/28/14/63/987281463.db2.gz	CBCWKJMNGYKQPF-UHFFFAOYSA-N	-1	1	221.222	2.554	20	30		BFEDMM
C#CCN(Cc1ccc([O-])c(F)c1F)C(C)C	ZINC001474734280	987813746	/nfs/dbraw/zinc/81/37/46/987813746.db2.gz	PCWKMMXGOYLYLW-UHFFFAOYSA-N	-1	1	239.265	2.514	20	30		BFEDMM
C=CCCC(C)(C)NC(=O)c1ncc(C)cc1[O-]	ZINC001557638411	990899000	/nfs/dbraw/zinc/89/90/00/990899000.db2.gz	XTYOGPYDSOWEIJ-UHFFFAOYSA-N	-1	1	248.326	2.570	20	30		BFEDMM
CC(C)(C)ON=Cc1c(F)ccc([O-])c1F	ZINC001321100080	992456820	/nfs/dbraw/zinc/45/68/20/992456820.db2.gz	UFNBXEVLVUNVBW-UHFFFAOYSA-N	-1	1	229.226	2.819	20	30		BFEDMM
C=CC(C)(C)NC(=O)c1cc(Cl)ccc1[O-]	ZINC001304871390	995217708	/nfs/dbraw/zinc/21/77/08/995217708.db2.gz	QHRAECQJQRPZFH-UHFFFAOYSA-N	-1	1	239.702	2.740	20	30		BFEDMM
N#CCCNCc1cc(Cl)cc(Cl)c1[O-]	ZINC000020199819	187315759	/nfs/dbraw/zinc/31/57/59/187315759.db2.gz	LTDNXSFBAWVXPV-UHFFFAOYSA-N	-1	1	245.109	2.702	20	30		BFEDMM
C[C@@H](N=c1[n-]c(C#N)c(Cl)s1)C(C)(C)C	ZINC000596294743	348489855	/nfs/dbraw/zinc/48/98/55/348489855.db2.gz	KTFWXQZAXHYENG-ZCFIWIBFSA-N	-1	1	243.763	2.937	20	30		BFEDMM
N#CCCCC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000291997303	352297187	/nfs/dbraw/zinc/29/71/87/352297187.db2.gz	WNGQGPSXYSPMNQ-UHFFFAOYSA-N	-1	1	238.674	2.678	20	30		BFEDMM
CCC(CC)NC(=O)c1ncc(C)cc1[O-]	ZINC000330869067	353188840	/nfs/dbraw/zinc/18/88/40/353188840.db2.gz	FCDGAOUCYHBSMM-UHFFFAOYSA-N	-1	1	222.288	2.589	20	30		BFEDMM
CCC(C)(C)NC(=O)c1ncc(C)cc1[O-]	ZINC000330890468	355991222	/nfs/dbraw/zinc/99/12/22/355991222.db2.gz	HLMYJMGXAKLUGJ-UHFFFAOYSA-N	-1	1	222.288	2.589	20	30		BFEDMM
C=C1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1	ZINC000578329929	366520472	/nfs/dbraw/zinc/52/04/72/366520472.db2.gz	UTWGDYOGQDFODH-UHFFFAOYSA-N	-1	1	249.285	2.676	20	30		BFEDMM
CCCCc1cc(=O)n(-c2cccc(C#N)c2)[n-]1	ZINC000601930433	369722404	/nfs/dbraw/zinc/72/24/04/369722404.db2.gz	GNRLSCFQKSNRDU-UHFFFAOYSA-N	-1	1	241.294	2.841	20	30		BFEDMM
C#CCCCC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000192089715	533024923	/nfs/dbraw/zinc/02/49/23/533024923.db2.gz	QCCPAVHXGVIABH-UHFFFAOYSA-N	-1	1	237.686	2.788	20	30		BFEDMM
CCCN(CCC)C(=O)c1ccc(C#N)c([O-])c1	ZINC000188210476	384837145	/nfs/dbraw/zinc/83/71/45/384837145.db2.gz	HHVDVYMKJHLQKU-UHFFFAOYSA-N	-1	1	246.310	2.526	20	30		BFEDMM
CCC[C@H](CC)NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188390561	384945488	/nfs/dbraw/zinc/94/54/88/384945488.db2.gz	CCASSCCSKBEQLC-LBPRGKRZSA-N	-1	1	246.310	2.572	20	30		BFEDMM
CC(C)(C#N)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000129604674	385165539	/nfs/dbraw/zinc/16/55/39/385165539.db2.gz	ODAMJYHIEHDFKD-UHFFFAOYSA-N	-1	1	238.674	2.534	20	30		BFEDMM
CCCc1nc(C(=O)[N-]c2c(C)noc2C)co1	ZINC000330416430	386707053	/nfs/dbraw/zinc/70/70/53/386707053.db2.gz	OGZUAUAGIAVVKI-UHFFFAOYSA-N	-1	1	249.270	2.868	20	30		BFEDMM
C[C@@H]1CCC[C@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000596114611	388404704	/nfs/dbraw/zinc/40/47/04/388404704.db2.gz	LDOIBBJRVHYQKR-RNFRBKRXSA-N	-1	1	241.747	2.691	20	30		BFEDMM
C[C@H](CC#N)N(C)Cc1cccc([O-])c1Cl	ZINC000295365578	135189688	/nfs/dbraw/zinc/18/96/88/135189688.db2.gz	ODALYEIUCHQBKS-SECBINFHSA-N	-1	1	238.718	2.780	20	30		BFEDMM
COc1ccccc1-c1ccc([O-])c(C#N)c1	ZINC000065341340	175309700	/nfs/dbraw/zinc/30/97/00/175309700.db2.gz	FYLBGRLSBCOLIN-UHFFFAOYSA-N	-1	1	225.247	2.939	20	30		BFEDMM
C=C(C)CN(CC)C(=O)c1ccc([O-])c(F)c1	ZINC000681019336	487697429	/nfs/dbraw/zinc/69/74/29/487697429.db2.gz	XJKXWJSTIIKUSL-UHFFFAOYSA-N	-1	1	237.274	2.570	20	30		BFEDMM
C=CCCCCNC(=O)c1ccc([O-])c(F)c1	ZINC000681201959	487745985	/nfs/dbraw/zinc/74/59/85/487745985.db2.gz	MGWHQVLZHLBHAG-UHFFFAOYSA-N	-1	1	237.274	2.617	20	30		BFEDMM
C=C(C)CNC(=O)c1ccc2ccccc2c1[O-]	ZINC000122768106	324057543	/nfs/dbraw/zinc/05/75/43/324057543.db2.gz	HKIFVNVDZOTFDC-UHFFFAOYSA-N	-1	1	241.290	2.851	20	30		BFEDMM
C=CCN(Cc1cccs1)[C@H](CC)C(=O)[O-]	ZINC000263119811	534842229	/nfs/dbraw/zinc/84/22/29/534842229.db2.gz	LYBIMBWAQXOXIZ-LLVKDONJSA-N	-1	1	239.340	2.599	20	30		BFEDMM
C[C@@H]1CCCCN1N=Cc1cccc(F)c1[O-]	ZINC000853380326	588739393	/nfs/dbraw/zinc/73/93/93/588739393.db2.gz	SOWDEMLNBBQSFY-SNVBAGLBSA-N	-1	1	236.290	2.740	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccc(F)cc2C)[n-]1	ZINC000899348871	584202229	/nfs/dbraw/zinc/20/22/29/584202229.db2.gz	NRSFPDPAALEBBM-UHFFFAOYSA-N	-1	1	244.269	2.640	20	30		BFEDMM
C#CCc1c(C)[n-]n([C@H](C)c2ccccc2)c1=O	ZINC000899349442	584202877	/nfs/dbraw/zinc/20/28/77/584202877.db2.gz	COSDDTXNQVNCTF-OCCSQVGLSA-N	-1	1	240.306	2.605	20	30		BFEDMM
C#CCc1c(C)[n-]n(C2CCCCCC2)c1=O	ZINC000899351115	584204149	/nfs/dbraw/zinc/20/41/49/584204149.db2.gz	ZVAFUPSSOOJDAK-CYBMUJFWSA-N	-1	1	232.327	2.567	20	30		BFEDMM
[O-]c1c(F)cccc1C=NNc1ccccc1	ZINC000755461637	585300018	/nfs/dbraw/zinc/30/00/18/585300018.db2.gz	JPSYKQZWSSCYGW-UHFFFAOYSA-N	-1	1	230.242	2.977	20	30		BFEDMM
O=C(/C=C/c1ccc([O-])c(F)c1)c1cccnc1	ZINC000755570452	585301698	/nfs/dbraw/zinc/30/16/98/585301698.db2.gz	XVXWCSOMZSWFKS-HWKANZROSA-N	-1	1	243.237	2.822	20	30		BFEDMM
Cc1ccnc(NN=Cc2cccc(F)c2[O-])c1	ZINC000755770643	585306556	/nfs/dbraw/zinc/30/65/56/585306556.db2.gz	MZHKSGJLAHPETO-UHFFFAOYSA-N	-1	1	245.257	2.681	20	30		BFEDMM
C[C@@H](C#N)C[N@@H+](Cc1ccccc1O)C1CC1	ZINC000770505339	585575263	/nfs/dbraw/zinc/57/52/63/585575263.db2.gz	QMFDNNLHURRIIR-NSHDSACASA-N	-1	1	230.311	2.516	20	30		BFEDMM
O=C(/C=C\c1ccc([O-])c(F)c1)c1cncs1	ZINC000787171992	585902400	/nfs/dbraw/zinc/90/24/00/585902400.db2.gz	GYGZPRXSPMSIFM-RQOWECAXSA-N	-1	1	249.266	2.884	20	30		BFEDMM
CC[C@H](C)CON=Cc1ccc([O-])c(F)c1	ZINC000793164118	586012548	/nfs/dbraw/zinc/01/25/48/586012548.db2.gz	SJSAMXKFKLOSTA-VIFPVBQESA-N	-1	1	225.263	2.928	20	30		BFEDMM
Cc1cc(C)c(C(=O)/C=C\c2cn[nH]c2)c([O-])c1	ZINC000799894898	586201644	/nfs/dbraw/zinc/20/16/44/586201644.db2.gz	IEMPXOBHTNKGAW-ARJAWSKDSA-N	-1	1	242.278	2.628	20	30		BFEDMM
CC(C)C#CC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000830776865	587569824	/nfs/dbraw/zinc/56/98/24/587569824.db2.gz	YZBHPVAFYNPUGW-UHFFFAOYSA-N	-1	1	237.686	2.644	20	30		BFEDMM
C=C(C)CO[N-]C(=O)[C@H](C)c1ccc(CC)cc1	ZINC000846537739	588272211	/nfs/dbraw/zinc/27/22/11/588272211.db2.gz	BNAGKUVJOUVSRI-GFCCVEGCSA-N	-1	1	247.338	2.976	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)[C@@]1(C)C[C@@H]1c1ccccc1	ZINC000846553738	588276517	/nfs/dbraw/zinc/27/65/17/588276517.db2.gz	DUXJJSCUYZOZQW-KYOSRNDESA-N	-1	1	245.322	2.803	20	30		BFEDMM
C#CCCCSc1nc(CC)c(C)c(=O)[n-]1	ZINC000849921954	588509564	/nfs/dbraw/zinc/50/95/64/588509564.db2.gz	SVPQSRKNLHAKLQ-UHFFFAOYSA-N	-1	1	236.340	2.559	20	30		BFEDMM
C=CCCC[C@@H](C(=O)[N-]OC)c1ccccc1	ZINC000878113723	590496937	/nfs/dbraw/zinc/49/69/37/590496937.db2.gz	MDSMZMXVNWZVDO-CYBMUJFWSA-N	-1	1	233.311	2.804	20	30		BFEDMM
N#Cc1cc([O-])ccc1-c1nc(C2CC2)ns1	ZINC000904809229	637480185	/nfs/dbraw/zinc/48/01/85/637480185.db2.gz	RJSBNDRCHJDCMW-UHFFFAOYSA-N	-1	1	243.291	2.660	20	30		BFEDMM
C=CCCO[N-]C(=O)Cc1sc(C)cc1C	ZINC000912629424	640143939	/nfs/dbraw/zinc/14/39/39/640143939.db2.gz	QZVXYEFXJJFVPI-UHFFFAOYSA-N	-1	1	239.340	2.531	20	30		BFEDMM
N#Cc1ccsc1[N-]c1nccs1	ZINC001210989655	957972105	/nfs/dbraw/zinc/97/21/05/957972105.db2.gz	MUHZUAGIWBGVCX-UHFFFAOYSA-N	-1	1	207.283	2.820	20	30		BFEDMM
C=CC[C@@H]1CCN1[C@@H](C(=O)[O-])c1ccsc1	ZINC001602855072	979311405	/nfs/dbraw/zinc/31/14/05/979311405.db2.gz	FXLKQXHHTBRANB-GHMZBOCLSA-N	-1	1	237.324	2.524	20	30		BFEDMM
Cc1nc(C#N)c(Nc2cc(C)c(F)c([O-])c2)o1	ZINC001216079951	970930533	/nfs/dbraw/zinc/93/05/33/970930533.db2.gz	YMAHFNYGAWELLU-UHFFFAOYSA-N	-1	1	247.229	2.751	20	30		BFEDMM
C=CC[C@H](NCc1cc2ccccc2o1)C(=O)[O-]	ZINC001353899970	962672051	/nfs/dbraw/zinc/67/20/51/962672051.db2.gz	UNIQHQADRXTONO-LBPRGKRZSA-N	-1	1	245.278	2.552	20	30		BFEDMM
C=CCCC(=O)Nc1cc(F)cc(F)c1[O-]	ZINC001142542865	964377598	/nfs/dbraw/zinc/37/75/98/964377598.db2.gz	WCUPEWMIDRJZBC-UHFFFAOYSA-N	-1	1	227.210	2.575	20	30		BFEDMM
N#Cc1cccc(Cc2ccc(F)cc2[O-])c1	ZINC001250049501	967308973	/nfs/dbraw/zinc/30/89/73/967308973.db2.gz	ZNNPLWXZZRJUPX-UHFFFAOYSA-N	-1	1	227.238	2.994	20	30		BFEDMM
Cc1noc(C)c1C=C([O-])c1cccc(C#N)c1	ZINC001250289439	967624894	/nfs/dbraw/zinc/62/48/94/967624894.db2.gz	RTDPREIAERIKRO-UHFFFAOYSA-N	-1	1	240.262	2.589	20	30		BFEDMM
Cc1ccnc(C#N)c1Nc1cccc([O-])c1F	ZINC001212548657	967866398	/nfs/dbraw/zinc/86/63/98/967866398.db2.gz	YUIPZXXDAFFTGJ-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
N#Cc1ncc(F)cc1Nc1cc([O-])cc(F)c1	ZINC001206774502	968463682	/nfs/dbraw/zinc/46/36/82/968463682.db2.gz	LHSLNNLXTRYCAU-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
C=C[C@@H](O)CNc1c(Cl)ccc([O-])c1Cl	ZINC001253592621	969282946	/nfs/dbraw/zinc/28/29/46/969282946.db2.gz	UBDIPIGCFFPQLE-ZCFIWIBFSA-N	-1	1	248.109	2.658	20	30		BFEDMM
Cc1cnc(Nc2ccc(F)c([O-])c2)c(C#N)c1	ZINC001211214822	970177007	/nfs/dbraw/zinc/17/70/07/970177007.db2.gz	GHPLFISOWDVVTE-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
N#Cc1ncc(F)cc1-c1ccc(F)c([O-])c1	ZINC001243049757	970208311	/nfs/dbraw/zinc/20/83/11/970208311.db2.gz	UFOQNEJMFIQOKB-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#CCc1cccc(-c2ccc([O-])c(F)c2F)n1	ZINC001243342103	970490138	/nfs/dbraw/zinc/49/01/38/970490138.db2.gz	ZXWFIYOMLRXODM-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
C=CCN(CC=C)Cc1cc(F)c([O-])cc1F	ZINC001144658516	972927986	/nfs/dbraw/zinc/92/79/86/972927986.db2.gz	ZTNUBEDQWOPSEO-UHFFFAOYSA-N	-1	1	239.265	2.844	20	30		BFEDMM
C#CC[C@H](C)O/C(=N\[O-])c1ccc(Cl)cc1	ZINC001223593896	973183618	/nfs/dbraw/zinc/18/36/18/973183618.db2.gz	PZDKUSILCAOJRW-GCOCVTSNSA-N	-1	1	237.686	2.904	20	30		BFEDMM
CC#C[C@H](CC)Oc1cc([O-])ccc1C(C)=O	ZINC001225619455	974598183	/nfs/dbraw/zinc/59/81/83/974598183.db2.gz	VWAFPHJINROLPK-LBPRGKRZSA-N	-1	1	232.279	2.776	20	30		BFEDMM
C=C[C@@H](CCC)Oc1[n-]c(=S)ncc1OC	ZINC001226247725	974837434	/nfs/dbraw/zinc/83/74/34/974837434.db2.gz	ZXGOMUWKHHOGDH-QMMMGPOBSA-N	-1	1	240.328	2.507	20	30		BFEDMM
C[C@@H](Oc1cc([O-])ccc1C#N)c1cccnc1	ZINC001228005773	975847211	/nfs/dbraw/zinc/84/72/11/975847211.db2.gz	SACOCCUODALZBC-SNVBAGLBSA-N	-1	1	240.262	2.799	20	30		BFEDMM
C[C@@H](Oc1cc([O-])ccc1C#N)c1ccco1	ZINC001228007205	975849296	/nfs/dbraw/zinc/84/92/96/975849296.db2.gz	NMCWSRZSNIZRAV-SECBINFHSA-N	-1	1	229.235	2.997	20	30		BFEDMM
C=CC(C=C)Oc1cc([O-])cc2oc(=O)ccc12	ZINC001229136750	976767827	/nfs/dbraw/zinc/76/78/27/976767827.db2.gz	ZQWBDUSNPOMZOE-UHFFFAOYSA-N	-1	1	244.246	2.618	20	30		BFEDMM
C/C(=N\[O-])c1ccccc1OC1CC(C#N)C1	ZINC001229736778	976968090	/nfs/dbraw/zinc/96/80/90/976968090.db2.gz	KDYZBAUNJDPZHB-OQLLNIDSSA-N	-1	1	230.267	2.566	20	30		BFEDMM
C/C(=N\[O-])c1ccccc1O[C@@H]1CCCCC1=O	ZINC001229738523	976974345	/nfs/dbraw/zinc/97/43/45/976974345.db2.gz	LUWMYQAPFSWBTM-MFYHJKBNSA-N	-1	1	247.294	2.775	20	30		BFEDMM
C/C(=N\[O-])c1ccccc1OC1CCC(=O)CC1	ZINC001229741665	976975826	/nfs/dbraw/zinc/97/58/26/976975826.db2.gz	RTYOIIDRTJYQPO-XNTDXEJSSA-N	-1	1	247.294	2.775	20	30		BFEDMM
CCC1(C(=O)Nc2ccc(C#N)cc2[O-])CCC1	ZINC001179023372	978656544	/nfs/dbraw/zinc/65/65/44/978656544.db2.gz	LLUQBASMAJKYMN-UHFFFAOYSA-N	-1	1	244.294	2.783	20	30		BFEDMM
CCC(=O)[C@H](CC)Oc1ccccc1C=N[O-]	ZINC001234820489	978907451	/nfs/dbraw/zinc/90/74/51/978907451.db2.gz	WKWJKBNELCEBKK-LBPRGKRZSA-N	-1	1	235.283	2.631	20	30		BFEDMM
C#C[C@H](CCC)Oc1ccccc1C=N[O-]	ZINC001234818853	978907715	/nfs/dbraw/zinc/90/77/15/978907715.db2.gz	FSDZJKKWWXEJSX-GFCCVEGCSA-N	-1	1	217.268	2.675	20	30		BFEDMM
C=C[C@H](CC)Oc1ccccc1C=N[O-]	ZINC001234819667	978908733	/nfs/dbraw/zinc/90/87/33/978908733.db2.gz	NOXDBFVDSXUBOB-LLVKDONJSA-N	-1	1	205.257	2.838	20	30		BFEDMM
C=CC[C@@H](C)Oc1ccccc1C=N[O-]	ZINC001234823622	978910957	/nfs/dbraw/zinc/91/09/57/978910957.db2.gz	WNJDZTBTUVYVQR-SNVBAGLBSA-N	-1	1	205.257	2.838	20	30		BFEDMM
C=C[C@H](NCc1cc2ccccc2s1)C(=O)[O-]	ZINC001602819256	979265904	/nfs/dbraw/zinc/26/59/04/979265904.db2.gz	QWWDIKMSXICKGM-NSHDSACASA-N	-1	1	247.319	2.630	20	30		BFEDMM
C=C[C@@H](NCc1cc2ccccc2s1)C(=O)[O-]	ZINC001602819255	979267072	/nfs/dbraw/zinc/26/70/72/979267072.db2.gz	QWWDIKMSXICKGM-LLVKDONJSA-N	-1	1	247.319	2.630	20	30		BFEDMM
N#CCCCCc1cc(F)c([O-])c(F)c1	ZINC001250066774	979558889	/nfs/dbraw/zinc/55/88/89/979558889.db2.gz	QQOYNCAIHJFBAV-UHFFFAOYSA-N	-1	1	211.211	2.907	20	30		BFEDMM
Cc1ccc(F)c(-c2cnc(C#N)c(F)c2)c1[O-]	ZINC001236402606	979578736	/nfs/dbraw/zinc/57/87/36/979578736.db2.gz	MHXCBBKJIOQKKC-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
COc1ncc(-c2cccc(/C=N/[O-])c2)cc1F	ZINC001239511724	980684244	/nfs/dbraw/zinc/68/42/44/980684244.db2.gz	HFTYDNOVKFBAAO-FRKPEAEDSA-N	-1	1	246.241	2.704	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1cnc(C2CC2)nc1	ZINC001240686176	981590520	/nfs/dbraw/zinc/59/05/20/981590520.db2.gz	JQGQUARWEDYHSO-UHFFFAOYSA-N	-1	1	239.278	2.829	20	30		BFEDMM
CC(=NOCC1CC1)c1c([O-])cccc1F	ZINC001349818774	981770714	/nfs/dbraw/zinc/77/07/14/981770714.db2.gz	WIJJNTLKMMXBRY-UHFFFAOYSA-N	-1	1	223.247	2.682	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)Cc1coc2ccccc12	ZINC001583409261	981814813	/nfs/dbraw/zinc/81/48/13/981814813.db2.gz	XTUZJHIIJKBXRT-JTQLQIEISA-N	-1	1	245.278	2.598	20	30		BFEDMM
N#Cc1cc(-c2ccc([O-])c(F)c2)cnc1F	ZINC001240786394	981829528	/nfs/dbraw/zinc/82/95/28/981829528.db2.gz	KFOGFFQFRKGTPO-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#CCc1cncc(-c2c(F)cc([O-])cc2F)c1	ZINC001241121011	982244258	/nfs/dbraw/zinc/24/42/58/982244258.db2.gz	YCNNKOHJVCTABI-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1cc(-c2c(F)cc([O-])cc2F)ccn1	ZINC001241121683	982248157	/nfs/dbraw/zinc/24/81/57/982248157.db2.gz	BDQDSGHDRYQZIM-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1cc(CO)ccc1F	ZINC001241154849	982294778	/nfs/dbraw/zinc/29/47/78/982294778.db2.gz	KWBTVNPXTRFWHN-UHFFFAOYSA-N	-1	1	245.253	2.793	20	30		BFEDMM
[O-]/N=C/c1cccc(-c2ccncc2F)c1	ZINC001241227234	982376420	/nfs/dbraw/zinc/37/64/20/982376420.db2.gz	SENWSNWWJNURLX-VIZOYTHASA-N	-1	1	216.215	2.696	20	30		BFEDMM
Cc1cnc(-c2c(F)ccc([O-])c2F)c(C#N)c1	ZINC001241291427	982431423	/nfs/dbraw/zinc/43/14/23/982431423.db2.gz	ZEQKBQZLRWXTHG-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
COc1ncc(-c2ccccc2C=N[O-])s1	ZINC001241417430	982566384	/nfs/dbraw/zinc/56/63/84/982566384.db2.gz	DXJKIKIOZVTXKD-UHFFFAOYSA-N	-1	1	234.280	2.627	20	30		BFEDMM
[O-]/N=C/c1cccc(-c2ccc(F)cn2)c1	ZINC001241810057	983070900	/nfs/dbraw/zinc/07/09/00/983070900.db2.gz	VKXDNCBHPWDQKN-VIZOYTHASA-N	-1	1	216.215	2.696	20	30		BFEDMM
[O-]/N=C/c1ccc(F)c(-c2cscn2)c1	ZINC001241892649	983109609	/nfs/dbraw/zinc/10/96/09/983109609.db2.gz	ODTGXUXMKAQNOO-YIXHJXPBSA-N	-1	1	222.244	2.757	20	30		BFEDMM
[O-]/N=C/c1ccc(-c2cscn2)cc1F	ZINC001241892579	983110089	/nfs/dbraw/zinc/11/00/89/983110089.db2.gz	KDOMNKFRFRMSHC-YIXHJXPBSA-N	-1	1	222.244	2.757	20	30		BFEDMM
C#C[C@@](C)(CC)N[C@@H](C(=O)[O-])c1ccccc1C	ZINC001588367044	983297105	/nfs/dbraw/zinc/29/71/05/983297105.db2.gz	HNSVJJZMIFIUPX-HIFRSBDPSA-N	-1	1	245.322	2.512	20	30		BFEDMM
Cc1noc(C)c1-c1ccc(/C=N/[O-])c(F)c1	ZINC001242107698	983352173	/nfs/dbraw/zinc/35/21/73/983352173.db2.gz	NBFIRFBJNJINQZ-MKMNVTDBSA-N	-1	1	234.230	2.906	20	30		BFEDMM
N#CCc1cnc(F)c(-c2cccc(F)c2[O-])c1	ZINC001242352757	983627801	/nfs/dbraw/zinc/62/78/01/983627801.db2.gz	POTPNUCEHBWJDP-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1cc(-c2nccc3ncccc32)ccc1[O-]	ZINC001242561751	983884891	/nfs/dbraw/zinc/88/48/91/983884891.db2.gz	BOKFUEKDVHMICJ-UHFFFAOYSA-N	-1	1	247.257	2.874	20	30		BFEDMM
N#Cc1cc(-c2cncnc2C2CC2)ccc1[O-]	ZINC001242564931	983885130	/nfs/dbraw/zinc/88/51/30/983885130.db2.gz	BOJLBDUXMNJMNU-UHFFFAOYSA-N	-1	1	237.262	2.598	20	30		BFEDMM
Cc1ccc(C#N)c(-c2ccc(F)c([O-])c2)n1	ZINC001243048483	984395653	/nfs/dbraw/zinc/39/56/53/984395653.db2.gz	LPUKBOPIRUXBIG-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1cnc(-c2ccc(F)c([O-])c2)c(C#N)c1	ZINC001243049308	984399302	/nfs/dbraw/zinc/39/93/02/984399302.db2.gz	PVTKLEGQTXABHW-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#CCc1ncccc1-c1cc(F)cc(F)c1[O-]	ZINC001243505703	985059199	/nfs/dbraw/zinc/05/91/99/985059199.db2.gz	VCKINQZEXOXAQN-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
Cc1ccc(-c2cccc([O-])c2F)c(C#N)n1	ZINC001243544969	985086376	/nfs/dbraw/zinc/08/63/76/985086376.db2.gz	LZUNMSFRBBLGBT-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1cc(-c2cncc(C#N)n2)cc(Cl)c1[O-]	ZINC001244530766	986231914	/nfs/dbraw/zinc/23/19/14/986231914.db2.gz	STULQFVDNYBWAY-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
C=CCn1[n-]c(-c2ccc(N(C)C)cc2)cc1=O	ZINC001245945477	987219101	/nfs/dbraw/zinc/21/91/01/987219101.db2.gz	YUTVGCVXKXXUTQ-UHFFFAOYSA-N	-1	1	243.310	2.508	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2cccc(C)c2C)[n-]1	ZINC001245951351	987230801	/nfs/dbraw/zinc/23/08/01/987230801.db2.gz	DVQRODLVULZJCY-UHFFFAOYSA-N	-1	1	240.306	2.761	20	30		BFEDMM
CC(C)c1oncc1[N-]C(=O)c1ccc(C#N)o1	ZINC001120771799	989873655	/nfs/dbraw/zinc/87/36/55/989873655.db2.gz	DNAPBWGKVFYBBN-UHFFFAOYSA-N	-1	1	245.238	2.515	20	30		BFEDMM
CCCCN(CC#N)Cc1cccc(F)c1[O-]	ZINC001138128756	990887483	/nfs/dbraw/zinc/88/74/83/990887483.db2.gz	XUOGLIWFUOXCKF-UHFFFAOYSA-N	-1	1	236.290	2.657	20	30		BFEDMM
C=CC1CCN(C(=O)c2cccc([O-])c2F)CC1	ZINC001565743458	991801208	/nfs/dbraw/zinc/80/12/08/991801208.db2.gz	CWVJBSJRTWAXSQ-UHFFFAOYSA-N	-1	1	249.285	2.570	20	30		BFEDMM
CC[C@@H]1CCC[C@H]1NC(=O)c1ncccc1[O-]	ZINC000331209028	345048102	/nfs/dbraw/zinc/04/81/02/345048102.db2.gz	QCUJIGFAZXLVIG-NXEZZACHSA-N	-1	1	234.299	2.671	20	30		BFEDMM
CC[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-]	ZINC000331209029	345048249	/nfs/dbraw/zinc/04/82/49/345048249.db2.gz	QCUJIGFAZXLVIG-ZJUUUORDSA-N	-1	1	234.299	2.671	20	30		BFEDMM
C=CC[C@@H](CC)NC(=O)c1cc(F)ccc1[O-]	ZINC000393817101	259392545	/nfs/dbraw/zinc/39/25/45/259392545.db2.gz	DTTCFKHTMOCKFM-SNVBAGLBSA-N	-1	1	237.274	2.616	20	30		BFEDMM
N#CCCCCSc1nc(C2CC2)cc(=O)[n-]1	ZINC000188140760	347273744	/nfs/dbraw/zinc/27/37/44/347273744.db2.gz	BDFKYBYUTHRUJE-UHFFFAOYSA-N	-1	1	249.339	2.846	20	30		BFEDMM
CCCC(C)(C)NC(=O)c1cc([O-])cc(C#N)c1	ZINC000593901920	347967405	/nfs/dbraw/zinc/96/74/05/347967405.db2.gz	XYIXBNQARWLXJI-UHFFFAOYSA-N	-1	1	246.310	2.572	20	30		BFEDMM
Cc1nc(SCC2(CC#N)CC2)[n-]c(=O)c1C	ZINC000594898456	348131179	/nfs/dbraw/zinc/13/11/79/348131179.db2.gz	RNZPCNGHLDPGNL-UHFFFAOYSA-N	-1	1	249.339	2.585	20	30		BFEDMM
C=C(C)CN(CC)C(=O)c1cc(F)ccc1[O-]	ZINC000128594103	353301362	/nfs/dbraw/zinc/30/13/62/353301362.db2.gz	ZYWGDSCRLSDXIU-UHFFFAOYSA-N	-1	1	237.274	2.570	20	30		BFEDMM
C=CC(C)(C)C(=O)Nc1nc(Cl)ccc1[O-]	ZINC000295398884	353805310	/nfs/dbraw/zinc/80/53/10/353805310.db2.gz	LWAVWGABTFSIKA-UHFFFAOYSA-N	-1	1	240.690	2.591	20	30		BFEDMM
Cc1cnc(C(=O)NCC2(C3CC3)CC2)c([O-])c1	ZINC000329629433	355949846	/nfs/dbraw/zinc/94/98/46/355949846.db2.gz	VAIXAVGPOUTLMK-UHFFFAOYSA-N	-1	1	246.310	2.590	20	30		BFEDMM
C=CC[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1	ZINC000628489830	359625055	/nfs/dbraw/zinc/62/50/55/359625055.db2.gz	ITJWRDWDORATBD-JTQLQIEISA-N	-1	1	249.285	2.570	20	30		BFEDMM
C=CC[C@H]1CCN(C(=O)c2ccc([O-])cc2F)C1	ZINC000628489879	359625116	/nfs/dbraw/zinc/62/51/16/359625116.db2.gz	JQWAFZAMQTWKEX-JTQLQIEISA-N	-1	1	249.285	2.570	20	30		BFEDMM
Cc1nc(S[C@@H]2CC[C@@H](C#N)C2)[n-]c(=O)c1C	ZINC000450907161	202304840	/nfs/dbraw/zinc/30/48/40/202304840.db2.gz	QSTKXNCUJLCVAL-NXEZZACHSA-N	-1	1	249.339	2.583	20	30		BFEDMM
C=CCCCCSc1nc(C(=O)OC)c[n-]1	ZINC000567684840	326244725	/nfs/dbraw/zinc/24/47/25/326244725.db2.gz	ZEUPLPYXKCDBBK-UHFFFAOYSA-N	-1	1	240.328	2.645	20	30		BFEDMM
C=CCCSc1nc(CCC)cc(=O)[n-]1	ZINC000303750554	369434156	/nfs/dbraw/zinc/43/41/56/369434156.db2.gz	BPWJDJGWTGBRIO-UHFFFAOYSA-N	-1	1	224.329	2.803	20	30		BFEDMM
C=C1CC(C)(C(=O)Nc2cccc(F)c2[O-])C1	ZINC000633688301	373687427	/nfs/dbraw/zinc/68/74/27/373687427.db2.gz	RXWNNCBPIAROIO-UHFFFAOYSA-N	-1	1	235.258	2.826	20	30		BFEDMM
C=C(CC)CSc1ncc(C)c(=O)[n-]1	ZINC000569621896	384588333	/nfs/dbraw/zinc/58/83/33/384588333.db2.gz	CFECTNVARZTKFZ-UHFFFAOYSA-N	-1	1	210.302	2.549	20	30		BFEDMM
C=CC[C@H](C)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000116987746	388081455	/nfs/dbraw/zinc/08/14/55/388081455.db2.gz	RLBNJFMQWMONCY-QMMMGPOBSA-N	-1	1	239.702	2.740	20	30		BFEDMM
CCC[C@H](C)N(C)C(=O)c1ccc(C#N)c([O-])c1	ZINC000331270693	388767561	/nfs/dbraw/zinc/76/75/61/388767561.db2.gz	MQOHRHSFPNRLRC-JTQLQIEISA-N	-1	1	246.310	2.524	20	30		BFEDMM
CC[C@@H](C)CON=c1s[n-]c(C)c1C#N	ZINC000292013281	398075119	/nfs/dbraw/zinc/07/51/19/398075119.db2.gz	ZPYFVKFPOSQCSJ-SSDOTTSWSA-N	-1	1	225.317	2.713	20	30		BFEDMM
CC[C@H](C)CON=c1ccc(Cl)c(C#N)[n-]1	ZINC000291985874	171289793	/nfs/dbraw/zinc/28/97/93/171289793.db2.gz	XMJYODWPDTWNLC-QMMMGPOBSA-N	-1	1	239.706	2.996	20	30		BFEDMM
CC[C@H](C)CON=c1s[n-]c(C)c1C#N	ZINC000292013284	171291058	/nfs/dbraw/zinc/29/10/58/171291058.db2.gz	ZPYFVKFPOSQCSJ-ZETCQYMHSA-N	-1	1	225.317	2.713	20	30		BFEDMM
C=C(C)CNC(=O)c1cc2ccccc2cc1[O-]	ZINC000122767630	324057804	/nfs/dbraw/zinc/05/78/04/324057804.db2.gz	JGEKCQDFCPCEIJ-UHFFFAOYSA-N	-1	1	241.290	2.851	20	30		BFEDMM
C=C[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-]	ZINC000336615904	534555603	/nfs/dbraw/zinc/55/56/03/534555603.db2.gz	SVRBFNVIDRLTEN-LLVKDONJSA-N	-1	1	249.285	2.712	20	30		BFEDMM
[O-]c1ccc(C=NOCC2CCC2)cc1F	ZINC000853440068	588742914	/nfs/dbraw/zinc/74/29/14/588742914.db2.gz	YPPWPQCXULQSFG-UHFFFAOYSA-N	-1	1	223.247	2.682	20	30		BFEDMM
C#CCC1(C(=O)[N-]OCCC=C)CCCCC1	ZINC000856033828	583114126	/nfs/dbraw/zinc/11/41/26/583114126.db2.gz	SBMQTHLNOXZCTH-UHFFFAOYSA-N	-1	1	235.327	2.584	20	30		BFEDMM
N#CC[C@H]1CCC[N@@H+](Cc2ccc(O)c(F)c2)C1	ZINC000895310616	583647377	/nfs/dbraw/zinc/64/73/77/583647377.db2.gz	PQCJRHUXCQFRRN-LLVKDONJSA-N	-1	1	248.301	2.657	20	30		BFEDMM
C#CCc1c(C)[n-]n([C@H]2CCCCC2(C)C)c1=O	ZINC000899355759	584201961	/nfs/dbraw/zinc/20/19/61/584201961.db2.gz	UWOHBSQRDMCFFL-OLZOCXBDSA-N	-1	1	246.354	2.813	20	30		BFEDMM
C=C(C)CON=Cc1c(C)ccc(F)c1[O-]	ZINC000901257867	584416278	/nfs/dbraw/zinc/41/62/78/584416278.db2.gz	DKQFDEKBTFUMDE-UHFFFAOYSA-N	-1	1	223.247	2.766	20	30		BFEDMM
C=CCN(Cc1ccc(/C=C/C(=O)[O-])o1)C1CC1	ZINC000902529383	584632620	/nfs/dbraw/zinc/63/26/20/584632620.db2.gz	WHSWGIMPLXKMIW-BQYQJAHWSA-N	-1	1	247.294	2.528	20	30		BFEDMM
C=CCN(Cc1cc(C(=O)[O-])c(CC)o1)C1CC1	ZINC000902529353	584632973	/nfs/dbraw/zinc/63/29/73/584632973.db2.gz	VPXBVFKDONAMSY-UHFFFAOYSA-N	-1	1	249.310	2.691	20	30		BFEDMM
O=C(/C=C\c1ccc([O-])c(F)c1)c1cscn1	ZINC000776193427	585692391	/nfs/dbraw/zinc/69/23/91/585692391.db2.gz	YKJJFVIHGXHQOH-RQOWECAXSA-N	-1	1	249.266	2.884	20	30		BFEDMM
[O-]c1ccc(F)c(C=NOC2CCCC2)c1F	ZINC000794526117	586042045	/nfs/dbraw/zinc/04/20/45/586042045.db2.gz	HNDFEGSAQWROTK-UHFFFAOYSA-N	-1	1	241.237	2.964	20	30		BFEDMM
[O-]c1cccc(C=NNC2CCCC2)c1Cl	ZINC000814832613	586637767	/nfs/dbraw/zinc/63/77/67/586637767.db2.gz	JKCAIYRWUJMQDU-UHFFFAOYSA-N	-1	1	238.718	2.912	20	30		BFEDMM
CCCON=C(C)c1ccc(F)cc1[O-]	ZINC000842556187	588041907	/nfs/dbraw/zinc/04/19/07/588041907.db2.gz	INGRPPPQODLAHD-UHFFFAOYSA-N	-1	1	211.236	2.682	20	30		BFEDMM
C=C(C)CON=C(C)c1ccc(F)cc1[O-]	ZINC000844616520	588208359	/nfs/dbraw/zinc/20/83/59/588208359.db2.gz	AJJVZGYVJPADQL-UHFFFAOYSA-N	-1	1	223.247	2.848	20	30		BFEDMM
C=CCO[N-]C(=O)[C@H](C)c1ccc(Cl)cc1	ZINC000846248966	588262732	/nfs/dbraw/zinc/26/27/32/588262732.db2.gz	JXVNJMXGPVWQKE-SECBINFHSA-N	-1	1	239.702	2.677	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)C1(Cc2ccccc2)CC1	ZINC000846545205	588273891	/nfs/dbraw/zinc/27/38/91/588273891.db2.gz	FLHUNOQMILRFJL-GFCCVEGCSA-N	-1	1	245.322	2.632	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)c1ccc(CC)cc1	ZINC000846551082	588275861	/nfs/dbraw/zinc/27/58/61/588275861.db2.gz	QVGUTXRQZVNLHQ-NEPJUHHUSA-N	-1	1	247.338	2.975	20	30		BFEDMM
C=CCCCC(=O)Nc1cccc(F)c1[O-]	ZINC000863009316	589251733	/nfs/dbraw/zinc/25/17/33/589251733.db2.gz	DBVMELQWKBPSEG-UHFFFAOYSA-N	-1	1	223.247	2.826	20	30		BFEDMM
CC(C)(C)C#CC(=O)Nc1cccc(F)c1[O-]	ZINC000863008486	589251820	/nfs/dbraw/zinc/25/18/20/589251820.db2.gz	UCIYZAPXCMJYNN-UHFFFAOYSA-N	-1	1	235.258	2.519	20	30		BFEDMM
C=CC[C@@H](C)Sc1nc(CC)cc(=O)[n-]1	ZINC000882159180	591308503	/nfs/dbraw/zinc/30/85/03/591308503.db2.gz	SWUPYLXVKGERGP-MRVPVSSYSA-N	-1	1	224.329	2.801	20	30		BFEDMM
C=CC[C@H](C)Sc1ncc(C)c(=O)[n-]1	ZINC000882174901	591311306	/nfs/dbraw/zinc/31/13/06/591311306.db2.gz	XVJUEQIQQNFRCO-QMMMGPOBSA-N	-1	1	210.302	2.547	20	30		BFEDMM
CC(=NNC1CCCC1)c1c([O-])cccc1F	ZINC000884426393	591930689	/nfs/dbraw/zinc/93/06/89/591930689.db2.gz	LCTJPDIRTMGLJU-UHFFFAOYSA-N	-1	1	236.290	2.788	20	30		BFEDMM
CC[C@H](C)CON=Cc1cccc(F)c1[O-]	ZINC000793159347	636020765	/nfs/dbraw/zinc/02/07/65/636020765.db2.gz	NZRAVDXERJFIBD-VIFPVBQESA-N	-1	1	225.263	2.928	20	30		BFEDMM
O=C1c2ccc([O-])cc2C/C1=C\c1cccnc1	ZINC000187228926	634100730	/nfs/dbraw/zinc/10/07/30/634100730.db2.gz	TZEFNTDEQAFOEX-WUXMJOGZSA-N	-1	1	237.258	2.610	20	30		BFEDMM
C=C[C@@H]1CCCCN1Cc1cc(C(=O)[O-])c(C)o1	ZINC000902544839	637308112	/nfs/dbraw/zinc/30/81/12/637308112.db2.gz	KCCGBVYDPHHIHG-LLVKDONJSA-N	-1	1	249.310	2.827	20	30		BFEDMM
C=C[C@@H]1CCCCN1Cc1cc(C(=O)[O-])oc1C	ZINC000902545087	637308635	/nfs/dbraw/zinc/30/86/35/637308635.db2.gz	PRETVTCJNJLGMD-GFCCVEGCSA-N	-1	1	249.310	2.827	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)Cc1sc(C)cc1C	ZINC000911902957	639884100	/nfs/dbraw/zinc/88/41/00/639884100.db2.gz	JUZPFLRDLDJHOB-VIFPVBQESA-N	-1	1	239.340	2.530	20	30		BFEDMM
C=C(CC)CNC(=O)c1c([O-])cccc1Cl	ZINC000837099220	641843405	/nfs/dbraw/zinc/84/34/05/641843405.db2.gz	NVPXSYWREOBGEO-UHFFFAOYSA-N	-1	1	239.702	2.742	20	30		BFEDMM
CC(C)ON=Cc1cccc([O-])c1Cl	ZINC000835003256	645157074	/nfs/dbraw/zinc/15/70/74/645157074.db2.gz	XDGUWKAAUQGXKL-UHFFFAOYSA-N	-1	1	213.664	2.805	20	30		BFEDMM
C#CCO[N-]C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1	ZINC000812786247	712586437	/nfs/dbraw/zinc/58/64/37/712586437.db2.gz	GGHZLKLNICGIDY-NWDGAFQWSA-N	-1	1	237.343	2.520	20	30		BFEDMM
C=C[C@@H](C)Oc1cc([O-])cc(O)c1C(=O)CC	ZINC001228560218	976324276	/nfs/dbraw/zinc/32/42/76/976324276.db2.gz	LJGVGVAKWHYAEI-MRVPVSSYSA-N	-1	1	236.267	2.644	20	30		BFEDMM
N#Cc1ncc(F)cc1-c1ccc([O-])cc1F	ZINC001206057842	970892953	/nfs/dbraw/zinc/89/29/53/970892953.db2.gz	QTMZZBUHWZJCGQ-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1cc(Nc2cnccc2C#N)cc([O-])c1F	ZINC001216079598	970930654	/nfs/dbraw/zinc/93/06/54/970930654.db2.gz	ZPIUNMYLWKCNFA-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
C=CCC[C@H](CC)Oc1cc(=O)[n-]c(=S)[nH]1	ZINC001225762301	974674550	/nfs/dbraw/zinc/67/45/50/974674550.db2.gz	LGLIMZSFXJIPPV-QMMMGPOBSA-N	-1	1	240.328	2.595	20	30		BFEDMM
C#C[C@H]1CCC[C@H]1Oc1cc([O-])ccc1C(C)=O	ZINC001225619336	962436352	/nfs/dbraw/zinc/43/63/52/962436352.db2.gz	TWAHVOGYKTWEIN-SMDDNHRTSA-N	-1	1	244.290	2.776	20	30		BFEDMM
CC1(C)CC[C@@H](COc2cccc(/C=N/[O-])c2)O1	ZINC001226110012	963052839	/nfs/dbraw/zinc/05/28/39/963052839.db2.gz	MHXFIGBJFGGILO-NCPSJORJSA-N	-1	1	249.310	2.831	20	30		BFEDMM
C#C[C@H](CCCC)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229394568	964118965	/nfs/dbraw/zinc/11/89/65/964118965.db2.gz	AAIWTDLLFHXZEG-LLVKDONJSA-N	-1	1	249.266	2.871	20	30		BFEDMM
Cc1ccc(C#N)c(Nc2ncc(F)cc2[O-])c1	ZINC001249896714	967137485	/nfs/dbraw/zinc/13/74/85/967137485.db2.gz	LTFPTKNGRNNIRW-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
N#Cc1ccnc(Nc2c([O-])cccc2F)c1	ZINC001249989320	967233869	/nfs/dbraw/zinc/23/38/69/967233869.db2.gz	QHOVCQAHWFZNOH-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
Cc1cc(C#N)cnc1-c1ccc([O-])cc1F	ZINC001206021183	967973556	/nfs/dbraw/zinc/97/35/56/967973556.db2.gz	ILUJRNRNFOXETQ-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1ccnc(-c2ccc([O-])cc2F)c1F	ZINC001206029573	967992149	/nfs/dbraw/zinc/99/21/49/967992149.db2.gz	DARZLQXHVCDJAR-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#Cc1cccnc1Nc1cc([O-])cc(F)c1	ZINC001206760391	968457940	/nfs/dbraw/zinc/45/79/40/968457940.db2.gz	QEEBGBDJDZCXQR-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
N#Cc1cc(O)ccc1Nc1cc([O-])cc(F)c1	ZINC001208125678	969021090	/nfs/dbraw/zinc/02/10/90/969021090.db2.gz	OKZUZSIOCULNGT-UHFFFAOYSA-N	-1	1	244.225	2.852	20	30		BFEDMM
N#Cc1ccccc1Nc1ncc(F)cc1[O-]	ZINC001210737786	970004824	/nfs/dbraw/zinc/00/48/24/970004824.db2.gz	QGXPGOOIFFCCMG-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
N#Cc1ccc([O-])c(Nc2ccccc2C#N)c1	ZINC001210739101	970011159	/nfs/dbraw/zinc/01/11/59/970011159.db2.gz	MXZVQCPPOHZYDR-UHFFFAOYSA-N	-1	1	235.246	2.879	20	30		BFEDMM
N#Cc1cc(N)ccc1Nc1ccc(F)c([O-])c1	ZINC001211220855	970178204	/nfs/dbraw/zinc/17/82/04/970178204.db2.gz	VGDKZLBNICFVIE-UHFFFAOYSA-N	-1	1	243.241	2.729	20	30		BFEDMM
C=C[C@@H](C)O/C(=N\[O-])c1cc(F)ccc1F	ZINC001223888647	973325202	/nfs/dbraw/zinc/32/52/02/973325202.db2.gz	OKUGLPKIEJXILA-ODFQPRPBSA-N	-1	1	227.210	2.692	20	30		BFEDMM
N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ccco1	ZINC001147095597	973434237	/nfs/dbraw/zinc/43/42/37/973434237.db2.gz	JBLOSLIUUHTOLE-UHFFFAOYSA-N	-1	1	248.188	2.682	20	30		BFEDMM
CC[C@H](Oc1ccc([O-])c(C#N)c1C#N)C(C)C	ZINC001227623866	975585525	/nfs/dbraw/zinc/58/55/25/975585525.db2.gz	UOFZAJSCQCRCEE-ZDUSSCGKSA-N	-1	1	244.294	2.949	20	30		BFEDMM
CCC(CC)Oc1cc([O-])ccc1C#N	ZINC001228004302	975842369	/nfs/dbraw/zinc/84/23/69/975842369.db2.gz	AKYYHMCXMDEEAA-UHFFFAOYSA-N	-1	1	205.257	2.831	20	30		BFEDMM
C[C@@H](Oc1cc([O-])ccc1C#N)C(F)(F)F	ZINC001228005577	975847138	/nfs/dbraw/zinc/84/71/38/975847138.db2.gz	PQCULOIFGYXFSU-ZCFIWIBFSA-N	-1	1	231.173	2.593	20	30		BFEDMM
CCC[C@@H](C)Oc1cc([O-])ccc1C#N	ZINC001228005946	975847722	/nfs/dbraw/zinc/84/77/22/975847722.db2.gz	UGSMQYMGKRVGBH-SECBINFHSA-N	-1	1	205.257	2.831	20	30		BFEDMM
C=C[C@@H](CC)Oc1cc([O-])cc2oc(=O)ccc12	ZINC001229136738	976771107	/nfs/dbraw/zinc/77/11/07/976771107.db2.gz	ZKEGENNXXKYIOA-JTQLQIEISA-N	-1	1	246.262	2.842	20	30		BFEDMM
C=C[C@H](CC)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395952	976858336	/nfs/dbraw/zinc/85/83/36/976858336.db2.gz	NVKHWDDZDLGFRO-SECBINFHSA-N	-1	1	223.228	2.644	20	30		BFEDMM
CC#CC[C@H](CC)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395730	976858897	/nfs/dbraw/zinc/85/88/97/976858897.db2.gz	KNJAIBLATXMEON-NSHDSACASA-N	-1	1	249.266	2.871	20	30		BFEDMM
CCC(=O)c1ccc([O-])cc1O[C@H](C)CS	ZINC001229477116	976874678	/nfs/dbraw/zinc/87/46/78/976874678.db2.gz	LMUHJSYKQLWITG-MRVPVSSYSA-N	-1	1	240.324	2.682	20	30		BFEDMM
C=C[C@@H](C)Oc1cc([O-])ccc1C(=O)CC	ZINC001229474894	976876508	/nfs/dbraw/zinc/87/65/08/976876508.db2.gz	MIOHNTSJRCOPMG-SECBINFHSA-N	-1	1	220.268	2.938	20	30		BFEDMM
CC#C[C@@H](CC)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229753430	976979411	/nfs/dbraw/zinc/97/94/11/976979411.db2.gz	JFKBKOQMZICNHE-SNVBAGLBSA-N	-1	1	249.266	2.790	20	30		BFEDMM
C#C[C@H](CCC)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229754592	976979926	/nfs/dbraw/zinc/97/99/26/976979926.db2.gz	QWFIWJSJULCFIO-SNVBAGLBSA-N	-1	1	249.266	2.790	20	30		BFEDMM
C=C[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229751205	976981573	/nfs/dbraw/zinc/98/15/73/976981573.db2.gz	SHTAYOVZCHLLHU-QMMMGPOBSA-N	-1	1	223.228	2.562	20	30		BFEDMM
Cc1coc([N-]c2c(C)noc2C)c1C#N	ZINC001176177913	977979612	/nfs/dbraw/zinc/97/96/12/977979612.db2.gz	QQGIGUGUQMCGHH-UHFFFAOYSA-N	-1	1	217.228	2.808	20	30		BFEDMM
CC1(C)C[C@@H](Oc2ccccc2C=N[O-])CCO1	ZINC001234820521	978903083	/nfs/dbraw/zinc/90/30/83/978903083.db2.gz	WPJCGWGRHZACHP-LBPRGKRZSA-N	-1	1	249.310	2.831	20	30		BFEDMM
C#CC[C@H](CC)Oc1ccccc1C=N[O-]	ZINC001234819290	978905455	/nfs/dbraw/zinc/90/54/55/978905455.db2.gz	JVYLKIICYQYGHZ-LBPRGKRZSA-N	-1	1	217.268	2.675	20	30		BFEDMM
CC#C[C@@H](CC)Oc1ccccc1C=N[O-]	ZINC001234820269	978907341	/nfs/dbraw/zinc/90/73/41/978907341.db2.gz	UHFIJWBSKCEEKM-GFCCVEGCSA-N	-1	1	217.268	2.675	20	30		BFEDMM
[O-]N=Cc1ccccc1OC1CCSCC1	ZINC001234823179	978909443	/nfs/dbraw/zinc/90/94/43/978909443.db2.gz	RNNLRJXAAHYAHH-UHFFFAOYSA-N	-1	1	237.324	2.769	20	30		BFEDMM
CCCn1cc(-c2cc(/C=N/[O-])ccc2F)cn1	ZINC001240134308	981138198	/nfs/dbraw/zinc/13/81/98/981138198.db2.gz	OLOAZTWFOIHBRP-FRKPEAEDSA-N	-1	1	247.273	2.907	20	30		BFEDMM
C=CCOC(=O)Nc1cccc([O-])c1Cl	ZINC001194319357	981667993	/nfs/dbraw/zinc/66/79/93/981667993.db2.gz	XJDCXGCZUYNOJR-UHFFFAOYSA-N	-1	1	227.647	2.780	20	30		BFEDMM
CC(C)(C)COC(=O)Nc1c([O-])cccc1C#N	ZINC001194385411	981793492	/nfs/dbraw/zinc/79/34/92/981793492.db2.gz	NZPFHZZTWDOJJQ-UHFFFAOYSA-N	-1	1	248.282	2.858	20	30		BFEDMM
Cc1c(C#N)ccnc1-c1ccc([O-])c(F)c1	ZINC001240782835	981821749	/nfs/dbraw/zinc/82/17/49/981821749.db2.gz	GCHYDCYGAAUPKJ-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1cc(C#N)cc(-c2ccc([O-])c(F)c2)c1	ZINC001240786772	981829489	/nfs/dbraw/zinc/82/94/89/981829489.db2.gz	UKKXGJRFYMADRH-UHFFFAOYSA-N	-1	1	238.221	2.942	20	30		BFEDMM
CC(C)CCOC(=O)Nc1ccc([O-])c(C#N)c1	ZINC001194875132	981948334	/nfs/dbraw/zinc/94/83/34/981948334.db2.gz	VQQWJXWINDWRBQ-UHFFFAOYSA-N	-1	1	248.282	2.858	20	30		BFEDMM
CC(C)CCOC(=O)Nc1ccc(C#N)cc1[O-]	ZINC001194879886	981949187	/nfs/dbraw/zinc/94/91/87/981949187.db2.gz	IHMIHXRTEVODML-UHFFFAOYSA-N	-1	1	248.282	2.858	20	30		BFEDMM
N#CCc1cc(-c2c(F)cc([O-])cc2F)ccn1	ZINC001241121211	982245957	/nfs/dbraw/zinc/24/59/57/982245957.db2.gz	DUBAUTLCUNXRNM-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
Cc1nc(-c2cc([O-])cc(F)c2)ccc1C#N	ZINC001241262688	982400762	/nfs/dbraw/zinc/40/07/62/982400762.db2.gz	PYOQSCPMNCDSRS-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1ccc(F)c(CO)c1	ZINC001241796890	983054793	/nfs/dbraw/zinc/05/47/93/983054793.db2.gz	AFJGJTFUAAOESF-UHFFFAOYSA-N	-1	1	245.253	2.793	20	30		BFEDMM
COc1ccncc1-c1ccccc1C=N[O-]	ZINC001242059336	983271032	/nfs/dbraw/zinc/27/10/32/983271032.db2.gz	BWIDUVTZOKSFHF-UHFFFAOYSA-N	-1	1	228.251	2.565	20	30		BFEDMM
N#Cc1cncc(-c2ccc(/C=N/[O-])c(F)c2)c1	ZINC001242274959	983499576	/nfs/dbraw/zinc/49/95/76/983499576.db2.gz	JRRMAARBXXYJMO-CAOOACKPSA-N	-1	1	241.225	2.567	20	30		BFEDMM
COc1ccnc(-c2cccc(C)c2[O-])c1C#N	ZINC001242344488	983599637	/nfs/dbraw/zinc/59/96/37/983599637.db2.gz	XNKZNLKGAMTDJT-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
N#Cc1ccc(-c2ccc(F)c([O-])c2)nc1F	ZINC001243048240	984395250	/nfs/dbraw/zinc/39/52/50/984395250.db2.gz	MAWDVCVXKCNQDI-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
COc1cccc(-c2ccc(/C=N/[O-])c(F)c2)n1	ZINC001243100139	984532660	/nfs/dbraw/zinc/53/26/60/984532660.db2.gz	WORDIAQBFMKPRH-OVCLIPMQSA-N	-1	1	246.241	2.704	20	30		BFEDMM
C=CC[C@H](CC)NC(=O)c1ccc(F)c([O-])c1	ZINC001448564256	984815646	/nfs/dbraw/zinc/81/56/46/984815646.db2.gz	IFBKBZJUCNNLTM-JTQLQIEISA-N	-1	1	237.274	2.616	20	30		BFEDMM
N#CCc1ccc(-c2cc(F)cc(F)c2[O-])cn1	ZINC001243502658	985051053	/nfs/dbraw/zinc/05/10/53/985051053.db2.gz	MWTYGXBOZNZCEN-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1cnccc1-c1cc(/C=N/[O-])ccc1F	ZINC001244336398	985981106	/nfs/dbraw/zinc/98/11/06/985981106.db2.gz	YZLCUDBDQBPVEI-REZTVBANSA-N	-1	1	241.225	2.567	20	30		BFEDMM
COc1cc(C#N)cnc1-c1cc(C)ccc1[O-]	ZINC001244402510	986067660	/nfs/dbraw/zinc/06/76/60/986067660.db2.gz	JYMLOWLERBTFIE-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
Cc1cc(-c2cc(C#N)ncn2)cc(Cl)c1[O-]	ZINC001244531998	986234597	/nfs/dbraw/zinc/23/45/97/986234597.db2.gz	TXDSTXADCKKTNS-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
N#Cc1cnc(-c2c(Cl)ccc([O-])c2F)cn1	ZINC001244538427	986236373	/nfs/dbraw/zinc/23/63/73/986236373.db2.gz	NBWKDDQGZIDREU-UHFFFAOYSA-N	-1	1	249.632	2.513	20	30		BFEDMM
Cc1ncc(C#N)c(-c2ccc([O-])cc2Cl)n1	ZINC001245081571	986644340	/nfs/dbraw/zinc/64/43/40/986644340.db2.gz	IHDHIOVPEDWHKA-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
N#Cc1ncc(-c2c([O-])cccc2F)cc1F	ZINC001245653467	987025754	/nfs/dbraw/zinc/02/57/54/987025754.db2.gz	MVCSIBGTPFHIQA-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
C=C(C)CCNC(=O)c1c([O-])cccc1Cl	ZINC001117847112	987949070	/nfs/dbraw/zinc/94/90/70/987949070.db2.gz	HCXHNFFTAHLRLD-UHFFFAOYSA-N	-1	1	239.702	2.742	20	30		BFEDMM
C=CC1CCN(C(=O)c2ccc(F)c([O-])c2)CC1	ZINC001293442424	994656018	/nfs/dbraw/zinc/65/60/18/994656018.db2.gz	JNLOPMXKTQFRAG-UHFFFAOYSA-N	-1	1	249.285	2.570	20	30		BFEDMM
C=CC[C@@H](C)Sc1nc(C)c(C)c(=O)[n-]1	ZINC001307322923	995323085	/nfs/dbraw/zinc/32/30/85/995323085.db2.gz	GZEHTBSBTJLRTL-SSDOTTSWSA-N	-1	1	224.329	2.856	20	30		BFEDMM
CCC(C)(CC)NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188632759	168309956	/nfs/dbraw/zinc/30/99/56/168309956.db2.gz	ZOOONFNIXDEOOD-UHFFFAOYSA-N	-1	1	246.310	2.572	20	30		BFEDMM
C=CCC[C@@H](C(=O)[N-]OCC)c1ccccc1	ZINC000187789896	133449746	/nfs/dbraw/zinc/44/97/46/133449746.db2.gz	SQQWEWXHXYQBRZ-CYBMUJFWSA-N	-1	1	233.311	2.804	20	30		BFEDMM
C=C(C)Cn1[n-]c(CCC)c(CC)c1=O	ZINC000634603780	342996806	/nfs/dbraw/zinc/99/68/06/342996806.db2.gz	JSPMZNQLOIAVJJ-SNVBAGLBSA-N	-1	1	208.305	2.587	20	30		BFEDMM
C[C@H](N=c1[n-]c(C#N)c(Cl)s1)C1CCC1	ZINC000596175878	348462468	/nfs/dbraw/zinc/46/24/68/348462468.db2.gz	WKYVHKOMOBHUIF-LURJTMIESA-N	-1	1	241.747	2.691	20	30		BFEDMM
Cc1nc(S[C@H](C)CCC#N)[n-]c(=O)c1C	ZINC000331330323	353241108	/nfs/dbraw/zinc/24/11/08/353241108.db2.gz	HJFCBIPLCOHCLH-SSDOTTSWSA-N	-1	1	237.328	2.583	20	30		BFEDMM
C#CCCCSc1nc(C(F)F)cc(=O)[n-]1	ZINC000289628373	353623350	/nfs/dbraw/zinc/62/33/50/353623350.db2.gz	VOANZASQNBIOEM-UHFFFAOYSA-N	-1	1	244.266	2.625	20	30		BFEDMM
C=CCN(CC=C)Cc1ccsc1C(=O)[O-]	ZINC000082501765	491082088	/nfs/dbraw/zinc/08/20/88/491082088.db2.gz	YPOHJIXZJSQWFD-UHFFFAOYSA-N	-1	1	237.324	2.620	20	30		BFEDMM
CCC[C@H](C)N(C)C(=O)c1cc([O-])cc(C#N)c1	ZINC000614295535	363782503	/nfs/dbraw/zinc/78/25/03/363782503.db2.gz	WDODHKXLXINWJK-JTQLQIEISA-N	-1	1	246.310	2.524	20	30		BFEDMM
C=CCCCCNC(=O)c1cc(F)ccc1[O-]	ZINC000379880871	365337287	/nfs/dbraw/zinc/33/72/87/365337287.db2.gz	UXSRRELPBQHKFT-UHFFFAOYSA-N	-1	1	237.274	2.617	20	30		BFEDMM
CC#CCCSc1nc(C)c(C2CC2)c(=O)[n-]1	ZINC000631023848	370930688	/nfs/dbraw/zinc/93/06/88/370930688.db2.gz	GGPPJJWXPKNXMP-UHFFFAOYSA-N	-1	1	248.351	2.874	20	30		BFEDMM
C#CCCCCC(=O)Nc1ccc(F)cc1[O-]	ZINC000271640586	387446556	/nfs/dbraw/zinc/44/65/56/387446556.db2.gz	ZRLXHAOJEXJXQD-UHFFFAOYSA-N	-1	1	235.258	2.663	20	30		BFEDMM
C=CC(C)(C)C(=O)Nc1cccc(F)c1[O-]	ZINC000530004398	388602883	/nfs/dbraw/zinc/60/28/83/388602883.db2.gz	LEVYVDMFMGVVHY-UHFFFAOYSA-N	-1	1	223.247	2.682	20	30		BFEDMM
C=CC[C@H](CC)NC(=O)c1c([O-])cccc1F	ZINC000281574429	135371116	/nfs/dbraw/zinc/37/11/16/135371116.db2.gz	AXSLZQBACYDTSU-VIFPVBQESA-N	-1	1	237.274	2.616	20	30		BFEDMM
C=CCN(CC=C)Cc1csc(C(=O)[O-])c1	ZINC000568061732	326302479	/nfs/dbraw/zinc/30/24/79/326302479.db2.gz	PPXKMJSUMUPEMZ-UHFFFAOYSA-N	-1	1	237.324	2.620	20	30		BFEDMM
C=CC[C@H](CC)NC(=O)c1ccc([O-])c(F)c1	ZINC000684988223	487484773	/nfs/dbraw/zinc/48/47/73/487484773.db2.gz	RIWVKSOUPGTYTL-JTQLQIEISA-N	-1	1	237.274	2.616	20	30		BFEDMM
C=C[C@H](C)ON=C(C)c1ccc(F)cc1[O-]	ZINC000844623055	582604234	/nfs/dbraw/zinc/60/42/34/582604234.db2.gz	DMTZBOKBQHOYRQ-QMMMGPOBSA-N	-1	1	223.247	2.846	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1cccc(C)c1	ZINC000846546522	582656428	/nfs/dbraw/zinc/65/64/28/582656428.db2.gz	WHTDGDYJPNDAKN-VXGBXAGGSA-N	-1	1	233.311	2.721	20	30		BFEDMM
C[C@H](NN=Cc1cccc(F)c1[O-])C(C)(C)C	ZINC000793115500	583554404	/nfs/dbraw/zinc/55/44/04/583554404.db2.gz	NAIAUQCKSCKGDW-VIFPVBQESA-N	-1	1	238.306	2.889	20	30		BFEDMM
CCCCNN=C(C)c1ccc(F)cc1[O-]	ZINC000727778418	583769830	/nfs/dbraw/zinc/76/98/30/583769830.db2.gz	HFNZIDACSZWRNQ-UHFFFAOYSA-N	-1	1	224.279	2.645	20	30		BFEDMM
C=CCCC[C@H](C)Nc1cc(Cl)[n-]c(=O)n1	ZINC000858468680	588958063	/nfs/dbraw/zinc/95/80/63/588958063.db2.gz	KZHXKDSGYTXVAW-QMMMGPOBSA-N	-1	1	241.722	2.992	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccc(C)c(F)c2)[n-]1	ZINC000899352845	584200299	/nfs/dbraw/zinc/20/02/99/584200299.db2.gz	PYWGSSMMRMEHSS-UHFFFAOYSA-N	-1	1	244.269	2.640	20	30		BFEDMM
CCCON=Cc1cccc([O-])c1Cl	ZINC000842550883	584959738	/nfs/dbraw/zinc/95/97/38/584959738.db2.gz	LWOZRHYHCWFZOL-UHFFFAOYSA-N	-1	1	213.664	2.806	20	30		BFEDMM
C[C@@]1(C#N)CCCN(Cc2cccc(F)c2[O-])C1	ZINC000753588036	585263154	/nfs/dbraw/zinc/26/31/54/585263154.db2.gz	RTCFPZPSZXDNOW-AWEZNQCLSA-N	-1	1	248.301	2.657	20	30		BFEDMM
CCC(CC)NN=Cc1cccc(F)c1[O-]	ZINC000755730861	585305095	/nfs/dbraw/zinc/30/50/95/585305095.db2.gz	ODLAFLONBXZGES-UHFFFAOYSA-N	-1	1	224.279	2.643	20	30		BFEDMM
CCCCNN=C(C)c1cc(F)cc(F)c1[O-]	ZINC000757458927	585337615	/nfs/dbraw/zinc/33/76/15/585337615.db2.gz	AOMXICPTSOMKIY-UHFFFAOYSA-N	-1	1	242.269	2.784	20	30		BFEDMM
CCON=C(C)c1ccc([O-])c(Cl)c1	ZINC000768771698	585543382	/nfs/dbraw/zinc/54/33/82/585543382.db2.gz	DIHNXCGPZVCWPA-UHFFFAOYSA-N	-1	1	213.664	2.806	20	30		BFEDMM
CC(=NNc1cc(C)ccn1)c1sccc1[O-]	ZINC000769794920	585563509	/nfs/dbraw/zinc/56/35/09/585563509.db2.gz	YWQWKYIJMRTJKF-UHFFFAOYSA-N	-1	1	247.323	2.993	20	30		BFEDMM
CC(C)CNN=Cc1ccc([O-])c(Cl)c1	ZINC000771558121	585596161	/nfs/dbraw/zinc/59/61/61/585596161.db2.gz	UZUCIGSYYFEKQO-UHFFFAOYSA-N	-1	1	226.707	2.625	20	30		BFEDMM
CCCCCCNC(=O)c1cc([O-])cc(C#N)c1	ZINC000776325756	585695744	/nfs/dbraw/zinc/69/57/44/585695744.db2.gz	QVUHAAFUWGSYJQ-UHFFFAOYSA-N	-1	1	246.310	2.574	20	30		BFEDMM
C=C(Cl)CSc1nc(C)c(C)c(=O)[n-]1	ZINC000776864930	585706112	/nfs/dbraw/zinc/70/61/12/585706112.db2.gz	VZNWITPGSJWOSS-UHFFFAOYSA-N	-1	1	230.720	2.644	20	30		BFEDMM
CCCCNN=Cc1c([O-])ccc(Cl)c1F	ZINC000790157417	585958658	/nfs/dbraw/zinc/95/86/58/585958658.db2.gz	BZVBEQKLJSIYJK-UHFFFAOYSA-N	-1	1	244.697	2.908	20	30		BFEDMM
CSCCON=C(C)c1ccc([O-])c(F)c1	ZINC000794573391	586044604	/nfs/dbraw/zinc/04/46/04/586044604.db2.gz	ZMLYKSJMBYXRLB-UHFFFAOYSA-N	-1	1	243.303	2.635	20	30		BFEDMM
[O-]c1ccc(F)c(C=NOC2CCC2)c1F	ZINC000812235053	586571557	/nfs/dbraw/zinc/57/15/57/586571557.db2.gz	JQUHSNBRTIVSJK-UHFFFAOYSA-N	-1	1	227.210	2.573	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)c1cccc(C)c1	ZINC000846546517	588274148	/nfs/dbraw/zinc/27/41/48/588274148.db2.gz	WHTDGDYJPNDAKN-NEPJUHHUSA-N	-1	1	233.311	2.721	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)Cc1ccc(Cl)s1	ZINC000846552269	588276093	/nfs/dbraw/zinc/27/60/93/588276093.db2.gz	DIUPCTFZQOMLCM-SSDOTTSWSA-N	-1	1	245.731	2.566	20	30		BFEDMM
CCCC[C@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690538	589684237	/nfs/dbraw/zinc/68/42/37/589684237.db2.gz	QIVPKDDPYTWWJU-NSHDSACASA-N	-1	1	246.310	2.795	20	30		BFEDMM
C[C@H](C(=O)[N-]Oc1cccc(C#N)c1)C(C)(C)C	ZINC000870692843	589684914	/nfs/dbraw/zinc/68/49/14/589684914.db2.gz	OQMUMDBQRSXEDH-SNVBAGLBSA-N	-1	1	246.310	2.650	20	30		BFEDMM
C=CC[C@@H](C)Sc1ncc(C)c(=O)[n-]1	ZINC000882174737	591311224	/nfs/dbraw/zinc/31/12/24/591311224.db2.gz	XVJUEQIQQNFRCO-MRVPVSSYSA-N	-1	1	210.302	2.547	20	30		BFEDMM
O=C(/C=C/c1cncs1)c1ccc([O-])cc1	ZINC000129876906	591415102	/nfs/dbraw/zinc/41/51/02/591415102.db2.gz	UJAHOZKOAMJSBD-AATRIKPKSA-N	-1	1	231.276	2.745	20	30		BFEDMM
C=CCCCCCCNC(=O)c1cncc([O-])c1	ZINC000310744619	632932127	/nfs/dbraw/zinc/93/21/27/632932127.db2.gz	GRBHHSBZGZFANM-UHFFFAOYSA-N	-1	1	248.326	2.654	20	30		BFEDMM
C=C[C@@H]1CCCCN1Cc1cc(C(=O)[O-])co1	ZINC000902544923	637307981	/nfs/dbraw/zinc/30/79/81/637307981.db2.gz	NKECNAKTMMKFIW-LLVKDONJSA-N	-1	1	235.283	2.518	20	30		BFEDMM
Cc1cc(=O)[n-]c(N=NC(C)C2CCCCC2)n1	ZINC000916241801	641919421	/nfs/dbraw/zinc/91/94/21/641919421.db2.gz	VVLLYURYVYTOLD-UHFFFAOYSA-N	-1	1	248.330	2.859	20	30		BFEDMM
C=CCCC(=O)NCc1cccc(Cl)c1[O-]	ZINC000890757302	643340857	/nfs/dbraw/zinc/34/08/57/643340857.db2.gz	BMMFPYJGMNUORZ-UHFFFAOYSA-N	-1	1	239.702	2.628	20	30		BFEDMM
C=CC[C@@H](C)NC(=O)c1c([O-])cccc1Cl	ZINC000735124288	643527025	/nfs/dbraw/zinc/52/70/25/643527025.db2.gz	BYOOZYSBZBXAMI-MRVPVSSYSA-N	-1	1	239.702	2.740	20	30		BFEDMM
C#CCO[N-]C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1	ZINC000812786248	712586431	/nfs/dbraw/zinc/58/64/31/712586431.db2.gz	GGHZLKLNICGIDY-RYUDHWBXSA-N	-1	1	237.343	2.520	20	30		BFEDMM
C=CC[C@@H](C)Oc1cc([O-])ccc1C(C)=O	ZINC001225616130	962424600	/nfs/dbraw/zinc/42/46/00/962424600.db2.gz	GTVOVULNDHLGTC-SECBINFHSA-N	-1	1	220.268	2.938	20	30		BFEDMM
C=CC[C@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)F	ZINC000692253868	957656910	/nfs/dbraw/zinc/65/69/10/957656910.db2.gz	TVSIDNCAAIIOQG-DTWKUNHWSA-N	-1	1	235.249	2.800	20	30		BFEDMM
O=C1c2ccc([O-])cc2C/C1=C/c1cncs1	ZINC000588535234	958985712	/nfs/dbraw/zinc/98/57/12/958985712.db2.gz	SDMUIOVEAJJHSS-UITAMQMPSA-N	-1	1	243.287	2.671	20	30		BFEDMM
N#Cc1cc(Nc2ccc(F)cc2[O-])ccc1N	ZINC001213436208	960808607	/nfs/dbraw/zinc/80/86/07/960808607.db2.gz	WFXZJAJMZCDLQP-UHFFFAOYSA-N	-1	1	243.241	2.729	20	30		BFEDMM
N#Cc1ccc(-c2cccc([O-])c2Cl)nc1	ZINC001250463688	967889307	/nfs/dbraw/zinc/88/93/07/967889307.db2.gz	HBIKFDDIJJIHKZ-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
Cc1nccc(-c2ccc([O-])cc2F)c1C#N	ZINC001206088022	968055715	/nfs/dbraw/zinc/05/57/15/968055715.db2.gz	HLILDBWZCYTZGD-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1cnc(-c2cc(F)ccc2[O-])c(/C=N/O)c1	ZINC001240694586	968644456	/nfs/dbraw/zinc/64/44/56/968644456.db2.gz	ZSMVAAISHBIHGX-FRKPEAEDSA-N	-1	1	246.241	2.710	20	30		BFEDMM
N#Cc1ccnc(Nc2ccc(F)cc2[O-])c1	ZINC001210014471	969757070	/nfs/dbraw/zinc/75/70/70/969757070.db2.gz	GSDAYWGLLDRRMZ-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
CCc1ccc(-c2ccc([O-])c(C#N)c2)nc1	ZINC001242561786	970001010	/nfs/dbraw/zinc/00/10/10/970001010.db2.gz	CGMNNKATAWYROB-UHFFFAOYSA-N	-1	1	224.263	2.888	20	30		BFEDMM
Cc1ccc(-c2ccc([O-])c(C#N)c2)nc1C#N	ZINC001242562688	970002146	/nfs/dbraw/zinc/00/21/46/970002146.db2.gz	HUYXTAZKNNDDIH-UHFFFAOYSA-N	-1	1	235.246	2.506	20	30		BFEDMM
N#Cc1cc(-c2ccc3ncccc3n2)ccc1[O-]	ZINC001242562609	970003011	/nfs/dbraw/zinc/00/30/11/970003011.db2.gz	FTHVWGVSUWXTST-UHFFFAOYSA-N	-1	1	247.257	2.874	20	30		BFEDMM
N#CCc1ccc(-c2cc(F)c([O-])cc2F)cn1	ZINC001211350903	970247614	/nfs/dbraw/zinc/24/76/14/970247614.db2.gz	XTDYLMRKPLDHFP-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1ccc(NC(=O)C2=CCCCC2)c([O-])c1	ZINC001146723638	973229804	/nfs/dbraw/zinc/22/98/04/973229804.db2.gz	NBHCAKDNMULFBA-UHFFFAOYSA-N	-1	1	242.278	2.703	20	30		BFEDMM
[O-]/N=C(\O[C@@H]1C=CCC1)c1cc(F)ccc1F	ZINC001223890720	973321492	/nfs/dbraw/zinc/32/14/92/973321492.db2.gz	XXMDUWIRXDZXSC-MCQFYPOTSA-N	-1	1	239.221	2.836	20	30		BFEDMM
CC(=O)c1ccc([O-])cc1O[C@H](C)[C@H](C)S	ZINC001225619190	974597284	/nfs/dbraw/zinc/59/72/84/974597284.db2.gz	NCPPVPZMWXQVOH-BDAKNGLRSA-N	-1	1	240.324	2.680	20	30		BFEDMM
C=C[C@@H](CCCCC)Oc1cnc[n-]c1=O	ZINC001227048348	975236691	/nfs/dbraw/zinc/23/66/91/975236691.db2.gz	DASXNOHMZZHBMQ-JTQLQIEISA-N	-1	1	222.288	2.696	20	30		BFEDMM
C=CC[C@H](CCCC)Oc1cnc[n-]c1=O	ZINC001227051864	975239924	/nfs/dbraw/zinc/23/99/24/975239924.db2.gz	QGNDVARUWUXUEM-SNVBAGLBSA-N	-1	1	222.288	2.696	20	30		BFEDMM
CC[C@@H](Oc1ccc([O-])c(C#N)c1C#N)C(C)C	ZINC001227623863	975586898	/nfs/dbraw/zinc/58/68/98/975586898.db2.gz	UOFZAJSCQCRCEE-CYBMUJFWSA-N	-1	1	244.294	2.949	20	30		BFEDMM
C=C[C@@H](CC)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395953	976851794	/nfs/dbraw/zinc/85/17/94/976851794.db2.gz	NVKHWDDZDLGFRO-VIFPVBQESA-N	-1	1	223.228	2.644	20	30		BFEDMM
CCC(=O)c1ccc([O-])cc1O[C@@H](C)CS	ZINC001229477118	976875364	/nfs/dbraw/zinc/87/53/64/976875364.db2.gz	LMUHJSYKQLWITG-QMMMGPOBSA-N	-1	1	240.324	2.682	20	30		BFEDMM
CO[C@H](C)CCOc1ccccc1/C(C)=N/[O-]	ZINC001229737080	976968873	/nfs/dbraw/zinc/96/88/73/976968873.db2.gz	PFOLJYCOFPXVNC-PIYPRNMZSA-N	-1	1	237.299	2.689	20	30		BFEDMM
C#C[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])C(C)C	ZINC001229752628	976980540	/nfs/dbraw/zinc/98/05/40/976980540.db2.gz	CQOZNQSUWFWSHB-GFCCVEGCSA-N	-1	1	249.266	2.645	20	30		BFEDMM
N#Cc1ncccc1Nc1c(F)ccc([O-])c1F	ZINC001175262484	977361227	/nfs/dbraw/zinc/36/12/27/977361227.db2.gz	GPIWVGOXOXEPFG-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
Cc1nsc([N-]c2cncs2)c1C#N	ZINC001175495551	977454954	/nfs/dbraw/zinc/45/49/54/977454954.db2.gz	JTFQCSQVBWQZAG-UHFFFAOYSA-N	-1	1	222.298	2.523	20	30		BFEDMM
C=CC[C@@H](C=C)Oc1cc([O-])c(O)cc1C(C)=O	ZINC001234475342	978847042	/nfs/dbraw/zinc/84/70/42/978847042.db2.gz	FUKJDSDJSVVOLF-SNVBAGLBSA-N	-1	1	248.278	2.810	20	30		BFEDMM
[O-]N=Cc1ccccc1O[C@H]1C=CCCC1	ZINC001234819632	978907976	/nfs/dbraw/zinc/90/79/76/978907976.db2.gz	NBVVTLQGGVKREB-LBPRGKRZSA-N	-1	1	217.268	2.982	20	30		BFEDMM
COC1CCC(Oc2ccccc2C=N[O-])CC1	ZINC001234822851	978909278	/nfs/dbraw/zinc/90/92/78/978909278.db2.gz	PMZGXWHBCPQCOC-UHFFFAOYSA-N	-1	1	249.310	2.831	20	30		BFEDMM
N#C[C@H]1CC[C@@H](Oc2ccccc2C=N[O-])C1	ZINC001234822853	978911712	/nfs/dbraw/zinc/91/17/12/978911712.db2.gz	PPZNSSLPGYGVQG-CMPLNLGQSA-N	-1	1	230.267	2.566	20	30		BFEDMM
C#C[C@@H](CCC)N[C@@H](C(=O)[O-])c1ccccc1C	ZINC001602671211	979160044	/nfs/dbraw/zinc/16/00/44/979160044.db2.gz	OZVUEUDGINSWTG-GXTWGEPZSA-N	-1	1	245.322	2.512	20	30		BFEDMM
Cc1cnc(C#N)c(-c2cc([O-])cc(Cl)c2)n1	ZINC001235898640	979191212	/nfs/dbraw/zinc/19/12/12/979191212.db2.gz	ANBQJOYLDNRIIF-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
N#Cc1ccccc1Cc1ccc(F)c([O-])c1	ZINC001250046156	979497928	/nfs/dbraw/zinc/49/79/28/979497928.db2.gz	PRBNIBNXIWJAHI-UHFFFAOYSA-N	-1	1	227.238	2.994	20	30		BFEDMM
CN(CCC#N)Cc1c([O-])ccc(F)c1Cl	ZINC001237120972	979821534	/nfs/dbraw/zinc/82/15/34/979821534.db2.gz	JPWAMLWHQNYRMD-UHFFFAOYSA-N	-1	1	242.681	2.530	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1cnn(C(F)F)c1	ZINC001238869213	980355107	/nfs/dbraw/zinc/35/51/07/980355107.db2.gz	JNLWAMWSLVQIFP-UHFFFAOYSA-N	-1	1	237.209	2.753	20	30		BFEDMM
C=CC1CCN(C(=O)c2ccc([O-])cc2F)CC1	ZINC000163437130	981153127	/nfs/dbraw/zinc/15/31/27/981153127.db2.gz	NAGYZLDKBNMZTA-UHFFFAOYSA-N	-1	1	249.285	2.570	20	30		BFEDMM
CCn1cc(-c2cc(/C=N/[O-])ccc2F)cn1	ZINC001240651862	981560111	/nfs/dbraw/zinc/56/01/11/981560111.db2.gz	MDFZWPABDXQPPW-GIDUJCDVSA-N	-1	1	233.246	2.517	20	30		BFEDMM
Cc1nc(-c2ccc([O-])c(F)c2)ccc1C#N	ZINC001240782376	981820605	/nfs/dbraw/zinc/82/06/05/981820605.db2.gz	YEDKXCDLSPIHFI-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
CC[C@@H](C)OC(=O)Nc1c([O-])cccc1C#N	ZINC001195123948	982102517	/nfs/dbraw/zinc/10/25/17/982102517.db2.gz	GHGXQHFOYGYAKT-MRVPVSSYSA-N	-1	1	234.255	2.611	20	30		BFEDMM
COc1cc(-c2ccc(C)cc2[O-])ncc1C#N	ZINC001241028934	982125124	/nfs/dbraw/zinc/12/51/24/982125124.db2.gz	ZGDCFMBYNXLFSV-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
Cc1ccc(-c2c(F)ccc([O-])c2F)c(C#N)n1	ZINC001241292701	982432702	/nfs/dbraw/zinc/43/27/02/982432702.db2.gz	HZWCZUBWZCFSHY-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
Cc1noc(C)c1-c1ccccc1C=N[O-]	ZINC001242109209	983358151	/nfs/dbraw/zinc/35/81/51/983358151.db2.gz	FZOATKQEFDYQPK-UHFFFAOYSA-N	-1	1	216.240	2.767	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1ccc(CO)c(F)c1	ZINC001242534851	983857443	/nfs/dbraw/zinc/85/74/43/983857443.db2.gz	MFXXOXQWSKPYRP-UHFFFAOYSA-N	-1	1	245.253	2.793	20	30		BFEDMM
CCCn1nccc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001242846843	984197441	/nfs/dbraw/zinc/19/74/41/984197441.db2.gz	KPWLPGMAYMVZMK-CXUHLZMHSA-N	-1	1	247.273	2.907	20	30		BFEDMM
COc1cccc(-c2ccccc2C=N[O-])n1	ZINC001243100211	984533017	/nfs/dbraw/zinc/53/30/17/984533017.db2.gz	PTZOMRRQRNPJDI-UHFFFAOYSA-N	-1	1	228.251	2.565	20	30		BFEDMM
Nc1ccc(F)c(-c2ccccc2C=N[O-])c1	ZINC001243287532	984817533	/nfs/dbraw/zinc/81/75/33/984817533.db2.gz	LCYXBDRESZNEHR-UHFFFAOYSA-N	-1	1	230.242	2.883	20	30		BFEDMM
N#Cc1ncc(F)cc1-c1cccc([O-])c1F	ZINC001243545184	985086155	/nfs/dbraw/zinc/08/61/55/985086155.db2.gz	WTEUPYQSMLIGMP-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1ccc([O-])c(-c2ncc(C)cc2C#N)c1	ZINC001244401717	986061658	/nfs/dbraw/zinc/06/16/58/986061658.db2.gz	GDZREGJEJXEASE-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
Cc1ccc([O-])c(-c2nc(C)ccc2C#N)c1	ZINC001244402320	986065928	/nfs/dbraw/zinc/06/59/28/986065928.db2.gz	UVOAVGHTRAYODI-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
Nc1ncc(-c2ccccc2C=N[O-])cc1Cl	ZINC001245569113	986964059	/nfs/dbraw/zinc/96/40/59/986964059.db2.gz	OOPUERJQMWNJBD-UHFFFAOYSA-N	-1	1	247.685	2.792	20	30		BFEDMM
C=C/C(=N\COC)c1c(F)ccc([O-])c1Cl	ZINC001245829782	987091702	/nfs/dbraw/zinc/09/17/02/987091702.db2.gz	DFTDFCJQDUFITJ-RIYZIHGNSA-N	-1	1	243.665	2.764	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccc(CC)cc2)[n-]1	ZINC001245951738	987233734	/nfs/dbraw/zinc/23/37/34/987233734.db2.gz	IFIQAKDQJBWHRV-UHFFFAOYSA-N	-1	1	240.306	2.706	20	30		BFEDMM
CCCN(C(=O)c1ccc(C#N)c([O-])c1)C(C)C	ZINC000576239744	365533818	/nfs/dbraw/zinc/53/38/18/365533818.db2.gz	HVRDZACXMXLEMY-UHFFFAOYSA-N	-1	1	246.310	2.524	20	30		BFEDMM
C=CCN(C)C(=O)c1cc2ccccc2cc1[O-]	ZINC000162410944	349697310	/nfs/dbraw/zinc/69/73/10/349697310.db2.gz	IEVLXPUMXMSXLP-UHFFFAOYSA-N	-1	1	241.290	2.803	20	30		BFEDMM
C=C(C)Cn1[n-]c(CCC)c(CC)c1=O	ZINC000634603779	342996668	/nfs/dbraw/zinc/99/66/68/342996668.db2.gz	JSPMZNQLOIAVJJ-JTQLQIEISA-N	-1	1	208.305	2.587	20	30		BFEDMM
CC[C@H](C#N)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000593542485	347909528	/nfs/dbraw/zinc/90/95/28/347909528.db2.gz	UORJYTQSMCXXPQ-SSDOTTSWSA-N	-1	1	238.674	2.534	20	30		BFEDMM
CCCN(C(=O)c1cc([O-])cc(C#N)c1)C(C)C	ZINC000594403167	348048018	/nfs/dbraw/zinc/04/80/18/348048018.db2.gz	MPRSJROAGLAYKP-UHFFFAOYSA-N	-1	1	246.310	2.524	20	30		BFEDMM
C=CCN(CC=C)[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC000011884384	166336698	/nfs/dbraw/zinc/33/66/98/166336698.db2.gz	TZZRAPWORLZFMQ-JTQLQIEISA-N	-1	1	235.283	2.713	20	30		BFEDMM
CC#CCCCC(=O)Nc1ccc(F)cc1[O-]	ZINC000274403080	188265215	/nfs/dbraw/zinc/26/52/15/188265215.db2.gz	QMSJJQWPBXPEST-UHFFFAOYSA-N	-1	1	235.258	2.663	20	30		BFEDMM
C=CCCc1nc(-c2ccc([O-])c(F)c2)no1	ZINC000350834611	366347267	/nfs/dbraw/zinc/34/72/67/366347267.db2.gz	LQKMNWXIKRRGGX-UHFFFAOYSA-N	-1	1	234.230	2.700	20	30		BFEDMM
C=CCCc1nc(-c2ccc([O-])cc2F)no1	ZINC000350844916	366348678	/nfs/dbraw/zinc/34/86/78/366348678.db2.gz	YPCSUNZDVPHTOJ-UHFFFAOYSA-N	-1	1	234.230	2.700	20	30		BFEDMM
CC(C)(C#N)CNCc1cccc([O-])c1Cl	ZINC000328491892	363889840	/nfs/dbraw/zinc/88/98/40/363889840.db2.gz	SPSGSJIENQICHQ-UHFFFAOYSA-N	-1	1	238.718	2.685	20	30		BFEDMM
CC[C@H](CC#N)NCc1cccc([O-])c1Cl	ZINC000293697846	364767634	/nfs/dbraw/zinc/76/76/34/364767634.db2.gz	SVGFCGLOLGDPQX-SNVBAGLBSA-N	-1	1	238.718	2.827	20	30		BFEDMM
C=CCCCCCN(C)C(=O)c1cncc([O-])c1	ZINC000172412307	372967644	/nfs/dbraw/zinc/96/76/44/372967644.db2.gz	CIHKCJRFGODNEG-UHFFFAOYSA-N	-1	1	248.326	2.606	20	30		BFEDMM
CCC[N@@H+](CCC#N)Cc1ccccc1O	ZINC000103479576	384776208	/nfs/dbraw/zinc/77/62/08/384776208.db2.gz	SLOCJALIXXLIHL-UHFFFAOYSA-N	-1	1	218.300	2.518	20	30		BFEDMM
Cc1nc(SCCCCC#N)[n-]c(=O)c1C	ZINC000330687214	386829803	/nfs/dbraw/zinc/82/98/03/386829803.db2.gz	WAIFTKOBNIXTGE-UHFFFAOYSA-N	-1	1	237.328	2.585	20	30		BFEDMM
C=C(C)CN(C)Cc1cc(O)cc(F)c1	ZINC000186402623	387095096	/nfs/dbraw/zinc/09/50/96/387095096.db2.gz	ILITXIGGLHSFKT-UHFFFAOYSA-N	-1	1	209.264	2.539	20	30		BFEDMM
C=CCCCCCN(C)C(=O)c1ncccc1[O-]	ZINC000265768520	387398752	/nfs/dbraw/zinc/39/87/52/387398752.db2.gz	CDIOSMYYPNCFHC-UHFFFAOYSA-N	-1	1	248.326	2.606	20	30		BFEDMM
C=C[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-]	ZINC000123516705	388654683	/nfs/dbraw/zinc/65/46/83/388654683.db2.gz	XEGMPBYZBXBPOF-SNVBAGLBSA-N	-1	1	241.290	2.850	20	30		BFEDMM
C=C[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-]	ZINC000123517298	388654957	/nfs/dbraw/zinc/65/49/57/388654957.db2.gz	BHMQVTVVQYGSAP-SNVBAGLBSA-N	-1	1	241.290	2.850	20	30		BFEDMM
N#CCN(Cc1c([O-])cccc1Cl)C1CC1	ZINC000271149754	133540137	/nfs/dbraw/zinc/54/01/37/133540137.db2.gz	SZADLTTXSXGMFZ-UHFFFAOYSA-N	-1	1	236.702	2.534	20	30		BFEDMM
C[C@H]1CCC[C@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000596114610	411166226	/nfs/dbraw/zinc/16/62/26/411166226.db2.gz	LDOIBBJRVHYQKR-NKWVEPMBSA-N	-1	1	241.747	2.691	20	30		BFEDMM
CC#CCCCC(=O)Nc1c([O-])cccc1F	ZINC000681059611	487710042	/nfs/dbraw/zinc/71/00/42/487710042.db2.gz	ZRYJCMIGUQRWPG-UHFFFAOYSA-N	-1	1	235.258	2.663	20	30		BFEDMM
C=C(C)CN(CC)[C@H](C(=O)[O-])c1ccsc1	ZINC000570051655	323048883	/nfs/dbraw/zinc/04/88/83/323048883.db2.gz	UDLBDRAOVCGQRY-NSHDSACASA-N	-1	1	239.340	2.772	20	30		BFEDMM
C=CCN(Cc1cccs1)[C@@H](CC)C(=O)[O-]	ZINC000263119813	534841356	/nfs/dbraw/zinc/84/13/56/534841356.db2.gz	LYBIMBWAQXOXIZ-NSHDSACASA-N	-1	1	239.340	2.599	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@@H](CC)c1ccccc1	ZINC000856030407	588856291	/nfs/dbraw/zinc/85/62/91/588856291.db2.gz	YJJYJZOXGOJROG-ZDUSSCGKSA-N	-1	1	233.311	2.804	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@H](C)c1cccc(F)c1	ZINC000856031968	588856416	/nfs/dbraw/zinc/85/64/16/588856416.db2.gz	FLEFLMSGYAZVOK-SNVBAGLBSA-N	-1	1	237.274	2.553	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@H](C)c1ccc(CC)cc1	ZINC000856031287	588856649	/nfs/dbraw/zinc/85/66/49/588856649.db2.gz	KAMTUXNOTXIEQP-GFCCVEGCSA-N	-1	1	247.338	2.976	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@@H](C)c1cccc(C)c1	ZINC000856032865	588857290	/nfs/dbraw/zinc/85/72/90/588857290.db2.gz	VNVSBFHPIZNFCL-LBPRGKRZSA-N	-1	1	233.311	2.722	20	30		BFEDMM
CC(=NNC1CCCC1)c1ccc(F)cc1[O-]	ZINC000727778795	583769647	/nfs/dbraw/zinc/76/96/47/583769647.db2.gz	GOJOZGXCIAGFFX-UHFFFAOYSA-N	-1	1	236.290	2.788	20	30		BFEDMM
C=C(C)C[C@@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691464	583926351	/nfs/dbraw/zinc/92/63/51/583926351.db2.gz	MCGXYNHJCHPRFY-LLVKDONJSA-N	-1	1	244.294	2.571	20	30		BFEDMM
C=C(C)C[C@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691465	583926653	/nfs/dbraw/zinc/92/66/53/583926653.db2.gz	MCGXYNHJCHPRFY-NSHDSACASA-N	-1	1	244.294	2.571	20	30		BFEDMM
C#CCc1c(C)[n-]n(C2CCCCCC2)c1=O	ZINC000899351116	584203997	/nfs/dbraw/zinc/20/39/97/584203997.db2.gz	ZVAFUPSSOOJDAK-ZDUSSCGKSA-N	-1	1	232.327	2.567	20	30		BFEDMM
C=CCN(Cc1ccc(/C=C\C(=O)[O-])o1)C1CC1	ZINC000902529384	584632651	/nfs/dbraw/zinc/63/26/51/584632651.db2.gz	WHSWGIMPLXKMIW-FPLPWBNLSA-N	-1	1	247.294	2.528	20	30		BFEDMM
CCCCCCN([O-])C(=O)C(=O)c1ccccc1	ZINC000904204205	584851949	/nfs/dbraw/zinc/85/19/49/584851949.db2.gz	HIYBMFWXVFANRI-UHFFFAOYSA-N	-1	1	249.310	2.667	20	30		BFEDMM
C=CCCC(CC)N=Nc1nc(C)cc(=O)[n-]1	ZINC000750909780	585221806	/nfs/dbraw/zinc/22/18/06/585221806.db2.gz	ILTUXDGULHVVOR-UHFFFAOYSA-N	-1	1	234.303	2.635	20	30		BFEDMM
CC[C@@H](C)NN=C(C)c1ccc(F)cc1[O-]	ZINC000790182085	585258053	/nfs/dbraw/zinc/25/80/53/585258053.db2.gz	IMRJLENRSVVIKE-MRVPVSSYSA-N	-1	1	224.279	2.643	20	30		BFEDMM
C=CCCCOC(=O)c1ccc([O-])cc1F	ZINC000773579119	585640659	/nfs/dbraw/zinc/64/06/59/585640659.db2.gz	YGLDVBLRJSCEFU-UHFFFAOYSA-N	-1	1	224.231	2.654	20	30		BFEDMM
CC(C)(C)CCNN=Cc1cccc(F)c1[O-]	ZINC000782907014	585825918	/nfs/dbraw/zinc/82/59/18/585825918.db2.gz	HXDXQPCJCDHVLA-UHFFFAOYSA-N	-1	1	238.306	2.891	20	30		BFEDMM
CSCCON=Cc1ccc([O-])c(Cl)c1	ZINC000794573320	586044545	/nfs/dbraw/zinc/04/45/45/586044545.db2.gz	WYMFSCOEOONYQN-UHFFFAOYSA-N	-1	1	245.731	2.759	20	30		BFEDMM
C#CCCCc1nc(-c2ccc([O-])cc2F)no1	ZINC000809469057	586505841	/nfs/dbraw/zinc/50/58/41/586505841.db2.gz	GNCLAQMCVWEXHT-UHFFFAOYSA-N	-1	1	246.241	2.537	20	30		BFEDMM
Cc1nc(C)c(/C=C\C(=O)c2ccc([O-])cc2)o1	ZINC000821022811	587089703	/nfs/dbraw/zinc/08/97/03/587089703.db2.gz	VDFBNNMYUXTZNE-FPLPWBNLSA-N	-1	1	243.262	2.893	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@@H](C)c1ccccc1C	ZINC000825557377	587325018	/nfs/dbraw/zinc/32/50/18/587325018.db2.gz	YLEKAYVCEKUXMF-LBPRGKRZSA-N	-1	1	233.311	2.722	20	30		BFEDMM
C=C(C)CNN=C(C)c1ccc(Cl)cc1[O-]	ZINC000841639054	587964522	/nfs/dbraw/zinc/96/45/22/587964522.db2.gz	JOGHYBVWSMWLBI-UHFFFAOYSA-N	-1	1	238.718	2.935	20	30		BFEDMM
C=C1CC(C)(C(=O)[N-]OCc2ccc(F)cc2)C1	ZINC000867395142	588244125	/nfs/dbraw/zinc/24/41/25/588244125.db2.gz	KZAPTYADIWWLIG-UHFFFAOYSA-N	-1	1	249.285	2.730	20	30		BFEDMM
C#CCC1(C(=O)[N-]OCC(=C)C)CCCCC1	ZINC000846534883	588270039	/nfs/dbraw/zinc/27/00/39/588270039.db2.gz	HCQSVHWXSDUKHD-UHFFFAOYSA-N	-1	1	235.327	2.584	20	30		BFEDMM
C=C(C)CO[N-]C(=O)[C@@H](C)c1ccc(CC)cc1	ZINC000846537740	588272059	/nfs/dbraw/zinc/27/20/59/588272059.db2.gz	BNAGKUVJOUVSRI-LBPRGKRZSA-N	-1	1	247.338	2.976	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)Cc1ccc(Cl)s1	ZINC000846552270	588276164	/nfs/dbraw/zinc/27/61/64/588276164.db2.gz	DIUPCTFZQOMLCM-ZETCQYMHSA-N	-1	1	245.731	2.566	20	30		BFEDMM
C=CCC1(C(=O)[N-]O[C@@H](C)C=C)CCCC1	ZINC000846553649	588276460	/nfs/dbraw/zinc/27/64/60/588276460.db2.gz	DCBJMCNWKDOSKO-NSHDSACASA-N	-1	1	223.316	2.745	20	30		BFEDMM
CC(C)c1nn(C)cc1-c1ccc(C#N)cc1[O-]	ZINC000863691789	589310837	/nfs/dbraw/zinc/31/08/37/589310837.db2.gz	KWJPKSJHOWQQJA-UHFFFAOYSA-N	-1	1	241.294	2.788	20	30		BFEDMM
C=CC(C)(C)C(=O)[N-]OCCCC(F)(F)F	ZINC000871216388	589747198	/nfs/dbraw/zinc/74/71/98/589747198.db2.gz	RKUXZMSUWYXZNZ-UHFFFAOYSA-N	-1	1	239.237	2.589	20	30		BFEDMM
C=CC(C)(C)C(=O)Nc1cc([O-])c(F)cc1F	ZINC000909987455	639298446	/nfs/dbraw/zinc/29/84/46/639298446.db2.gz	VLBNPPQILOHTJE-UHFFFAOYSA-N	-1	1	241.237	2.821	20	30		BFEDMM
Cc1ccc([O-])c(C(=O)/C=C/c2cocn2)c1	ZINC000191320190	641914469	/nfs/dbraw/zinc/91/44/69/641914469.db2.gz	GKPAUUAPWFJXEE-HWKANZROSA-N	-1	1	229.235	2.585	20	30		BFEDMM
C#CCO[N-]C(=O)C[C@@H](C)CCCCCC	ZINC000812783177	644931365	/nfs/dbraw/zinc/93/13/65/644931365.db2.gz	BXSVMOFJQKECAC-LBPRGKRZSA-N	-1	1	225.332	2.664	20	30		BFEDMM
C#CCCCCC(=O)Nc1c([O-])cccc1F	ZINC000709938837	712234561	/nfs/dbraw/zinc/23/45/61/712234561.db2.gz	KWTQOGAKWKHDEH-UHFFFAOYSA-N	-1	1	235.258	2.663	20	30		BFEDMM
C#CCCCCC(=O)Nc1cccc(F)c1[O-]	ZINC000707926093	712172976	/nfs/dbraw/zinc/17/29/76/712172976.db2.gz	URFWBEAEJRCONH-UHFFFAOYSA-N	-1	1	235.258	2.663	20	30		BFEDMM
N#C[C@@H]1CCCN1Cc1ccc(Cl)c([O-])c1	ZINC001231733250	977721836	/nfs/dbraw/zinc/72/18/36/977721836.db2.gz	ORKUOXVUBVWWNO-JTQLQIEISA-N	-1	1	236.702	2.534	20	30		BFEDMM
N#C[C@@H]1CCCN1Cc1cccc([O-])c1Cl	ZINC001232784890	978274153	/nfs/dbraw/zinc/27/41/53/978274153.db2.gz	YARLVVSMSPISFT-JTQLQIEISA-N	-1	1	236.702	2.534	20	30		BFEDMM
CC(C)O/C(=N\[O-])c1cc(F)ccc1F	ZINC001223888535	973322858	/nfs/dbraw/zinc/32/28/58/973322858.db2.gz	LTSKVRORJNQIPS-RAXLEYEMSA-N	-1	1	215.199	2.526	20	30		BFEDMM
Cc1cc(-c2cnc(C#N)nc2)cc(Cl)c1[O-]	ZINC001244537229	971327760	/nfs/dbraw/zinc/32/77/60/971327760.db2.gz	KALCYYVMVMYASI-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
COc1cc(-c2ccccc2C=N[O-])cnc1F	ZINC001245080126	971624128	/nfs/dbraw/zinc/62/41/28/971624128.db2.gz	JCKOEVGQAJPKEA-UHFFFAOYSA-N	-1	1	246.241	2.704	20	30		BFEDMM
CC(C)n1ccc(Nc2cc(C#N)ccc2[O-])n1	ZINC001210343786	957725951	/nfs/dbraw/zinc/72/59/51/957725951.db2.gz	MGIKSGJNMIPIPQ-UHFFFAOYSA-N	-1	1	242.282	2.785	20	30		BFEDMM
N#Cc1c([O-])ccc(O[C@@H]2C=CCCC2)c1C#N	ZINC001227617709	963547101	/nfs/dbraw/zinc/54/71/01/963547101.db2.gz	HMPUODGFTBJASU-SNVBAGLBSA-N	-1	1	240.262	2.623	20	30		BFEDMM
C=C(C)C(=O)Nc1cccc(C(F)(F)F)c1[O-]	ZINC001142516325	964358785	/nfs/dbraw/zinc/35/87/85/964358785.db2.gz	VAFNPBZWUYQLLB-UHFFFAOYSA-N	-1	1	245.200	2.926	20	30		BFEDMM
Cc1ncccc1-c1ccc([O-])c(C#N)c1	ZINC000715237096	965989661	/nfs/dbraw/zinc/98/96/61/965989661.db2.gz	DGVPQJLXTBVURG-UHFFFAOYSA-N	-1	1	210.236	2.634	20	30		BFEDMM
N#Cc1cnoc1[N-]c1c2cc[nH]c2ccc1F	ZINC001204255159	966945818	/nfs/dbraw/zinc/94/58/18/966945818.db2.gz	AVJUYPVVOVOPNN-UHFFFAOYSA-N	-1	1	242.213	2.910	20	30		BFEDMM
N#Cc1cccc(Cc2c([O-])cccc2F)c1	ZINC001250050884	967312549	/nfs/dbraw/zinc/31/25/49/967312549.db2.gz	MLARSJBOXBNPOE-UHFFFAOYSA-N	-1	1	227.238	2.994	20	30		BFEDMM
N#Cc1ccc(-c2nc3ccccc3[nH]2)c([O-])c1	ZINC001251332161	968282665	/nfs/dbraw/zinc/28/26/65/968282665.db2.gz	JOZYLGSWRSBGPM-UHFFFAOYSA-N	-1	1	235.246	2.807	20	30		BFEDMM
CNc1ccc(-c2cc(/C=N/[O-])ccc2F)cn1	ZINC001242071864	969196292	/nfs/dbraw/zinc/19/62/92/969196292.db2.gz	RUYUOOFQQUKAKI-REZTVBANSA-N	-1	1	245.257	2.738	20	30		BFEDMM
N#Cc1cccc(N)c1Nc1ccc(F)c([O-])c1	ZINC001211219186	970179820	/nfs/dbraw/zinc/17/98/20/970179820.db2.gz	FWFPLNWEJSVOOM-UHFFFAOYSA-N	-1	1	243.241	2.729	20	30		BFEDMM
N#Cc1cnc(-c2ccc([O-])cc2F)c(F)c1	ZINC001206037710	970389324	/nfs/dbraw/zinc/38/93/24/970389324.db2.gz	MGMZKNMPBGFDOB-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#CCc1ccnc(-c2ccc([O-])c(F)c2F)c1	ZINC001243341377	970482217	/nfs/dbraw/zinc/48/22/17/970482217.db2.gz	JKVIQFYTOMIYFD-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
CCc1nnc([N-]c2cc(C#N)ccc2F)s1	ZINC001214590697	970515982	/nfs/dbraw/zinc/51/59/82/970515982.db2.gz	SCVHNVATUAXEMO-UHFFFAOYSA-N	-1	1	248.286	2.855	20	30		BFEDMM
C[C@H](CS)O/C(=N\[O-])c1ccc(Cl)cc1	ZINC001223593713	973183577	/nfs/dbraw/zinc/18/35/77/973183577.db2.gz	NEBYCIBRULJKPH-NNWJWWOGSA-N	-1	1	245.731	2.811	20	30		BFEDMM
[O-]/N=C(\OC1CC=CC1)c1cc(F)ccc1F	ZINC001223888848	973325849	/nfs/dbraw/zinc/32/58/49/973325849.db2.gz	SDKLMVBKVMAYTK-QINSGFPZSA-N	-1	1	239.221	2.836	20	30		BFEDMM
C=CC(C=C)O/C(=N\[O-])c1cc(F)ccc1F	ZINC001223890625	973326051	/nfs/dbraw/zinc/32/60/51/973326051.db2.gz	WCGHFISXURBQLO-QINSGFPZSA-N	-1	1	239.221	2.858	20	30		BFEDMM
C=C[C@H](CC)Oc1cc([O-])cc(O)c1C(C)=O	ZINC001225679618	974641914	/nfs/dbraw/zinc/64/19/14/974641914.db2.gz	QQQHXSQNOBMMDM-SNVBAGLBSA-N	-1	1	236.267	2.644	20	30		BFEDMM
C=C[C@@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12	ZINC001226490221	974926449	/nfs/dbraw/zinc/92/64/49/974926449.db2.gz	PNUDMPXREIVQBT-SECBINFHSA-N	-1	1	246.262	2.760	20	30		BFEDMM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2cnc[n-]c2=O)C1	ZINC001227048232	975233247	/nfs/dbraw/zinc/23/32/47/975233247.db2.gz	AVXIWQCSRLPTKB-NWDGAFQWSA-N	-1	1	246.310	2.862	20	30		BFEDMM
C=CC[C@H](Oc1cnc[n-]c1=O)c1ccccc1	ZINC001227049427	975236701	/nfs/dbraw/zinc/23/67/01/975236701.db2.gz	UHITXNWMNPQQSX-LBPRGKRZSA-N	-1	1	242.278	2.878	20	30		BFEDMM
C[C@@H](Oc1cc([O-])ccc1C#N)C1CCC1	ZINC001228004722	975846721	/nfs/dbraw/zinc/84/67/21/975846721.db2.gz	DXRBKADWBOYXPE-SECBINFHSA-N	-1	1	217.268	2.831	20	30		BFEDMM
C[C@H](Oc1cc([O-])ccc1C#N)c1cccnc1	ZINC001228005772	975847997	/nfs/dbraw/zinc/84/79/97/975847997.db2.gz	SACOCCUODALZBC-JTQLQIEISA-N	-1	1	240.262	2.799	20	30		BFEDMM
C[C@H](Oc1cc([O-])ccc1C#N)c1ccncc1	ZINC001228005248	975848441	/nfs/dbraw/zinc/84/84/41/975848441.db2.gz	JVJDCILZHNKBHB-JTQLQIEISA-N	-1	1	240.262	2.799	20	30		BFEDMM
C#CC[C@@H](C)Oc1cc([O-])ccc1C(=O)CC	ZINC001229474942	976875775	/nfs/dbraw/zinc/87/57/75/976875775.db2.gz	MWKNSRUNBFYLTL-SNVBAGLBSA-N	-1	1	232.279	2.776	20	30		BFEDMM
CCOC[C@H](C)Oc1ccccc1/C(C)=N/[O-]	ZINC001229736645	976971465	/nfs/dbraw/zinc/97/14/65/976971465.db2.gz	GEDGHEOABBAEGP-AYDSOBSRSA-N	-1	1	237.299	2.689	20	30		BFEDMM
C/C(=N\[O-])c1ccccc1O[C@H]1CCCCC1=O	ZINC001229738522	976976822	/nfs/dbraw/zinc/97/68/22/976976822.db2.gz	LUWMYQAPFSWBTM-GWQWUEFDSA-N	-1	1	247.294	2.775	20	30		BFEDMM
C=C[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229751204	976979454	/nfs/dbraw/zinc/97/94/54/976979454.db2.gz	SHTAYOVZCHLLHU-MRVPVSSYSA-N	-1	1	223.228	2.562	20	30		BFEDMM
C=CC[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229751505	976979661	/nfs/dbraw/zinc/97/96/61/976979661.db2.gz	VNSFCDZBSOUZSN-SECBINFHSA-N	-1	1	237.255	2.952	20	30		BFEDMM
C#CC[C@H](CC)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229754101	976980101	/nfs/dbraw/zinc/98/01/01/976980101.db2.gz	MGRMFPDEYMGLDJ-JTQLQIEISA-N	-1	1	249.266	2.790	20	30		BFEDMM
C#C[C@@H](Oc1ccccc1C=N[O-])C(C)C	ZINC001234818984	978905603	/nfs/dbraw/zinc/90/56/03/978905603.db2.gz	GFSXHXOIJIAOIQ-GFCCVEGCSA-N	-1	1	217.268	2.531	20	30		BFEDMM
CCC#C[C@H](C)Oc1nc2sccc2[n-]1	ZINC001234849194	978918594	/nfs/dbraw/zinc/91/85/94/978918594.db2.gz	ZQPAMZSAMCPGOX-QMMMGPOBSA-N	-1	1	220.297	2.805	20	30		BFEDMM
Cc1cc(-c2cc([O-])cc(Cl)c2)nc(C#N)n1	ZINC001235900463	979194995	/nfs/dbraw/zinc/19/49/95/979194995.db2.gz	VPQCWSUYKIAMJP-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
COc1ncccc1-c1ccccc1C=N[O-]	ZINC001239860856	981003492	/nfs/dbraw/zinc/00/34/92/981003492.db2.gz	VTYNKXIYGLHNET-UHFFFAOYSA-N	-1	1	228.251	2.565	20	30		BFEDMM
Cc1ccnc(-c2ccc([O-])c(C#N)c2)c1	ZINC001250457290	981135697	/nfs/dbraw/zinc/13/56/97/981135697.db2.gz	MGCAXVIRDSRQIU-UHFFFAOYSA-N	-1	1	210.236	2.634	20	30		BFEDMM
CCCCCNC(=O)Nc1ccc(C#N)cc1[O-]	ZINC001193326790	981291666	/nfs/dbraw/zinc/29/16/66/981291666.db2.gz	TZLFENWZIBSYHG-UHFFFAOYSA-N	-1	1	247.298	2.576	20	30		BFEDMM
N#Cc1c(F)cncc1-c1cc(F)ccc1[O-]	ZINC001240698953	981620062	/nfs/dbraw/zinc/62/00/62/981620062.db2.gz	XIQFKBOJQKXVAB-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1cc(-c2ccc([O-])c(F)c2)ncc1C#N	ZINC001240783132	981822691	/nfs/dbraw/zinc/82/26/91/981822691.db2.gz	LLCFFAZSAQAZOM-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
CC[C@@H](C)COC(=O)Nc1ccc([O-])c(C#N)c1	ZINC001194807165	981904571	/nfs/dbraw/zinc/90/45/71/981904571.db2.gz	OZPCODMBHCVEEK-SECBINFHSA-N	-1	1	248.282	2.858	20	30		BFEDMM
CC[C@@H](C)OC(=O)Nc1ccc(C#N)cc1[O-]	ZINC001195125881	982106703	/nfs/dbraw/zinc/10/67/03/982106703.db2.gz	RGPFSGKODKKWSF-MRVPVSSYSA-N	-1	1	234.255	2.611	20	30		BFEDMM
N#Cc1ccc(-c2cc([O-])cc(F)c2)nc1F	ZINC001241262050	982397779	/nfs/dbraw/zinc/39/77/79/982397779.db2.gz	IGJVYWUZJDDOSC-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#Cc1cnccc1-c1c(F)ccc([O-])c1F	ZINC001241292771	982433590	/nfs/dbraw/zinc/43/35/90/982433590.db2.gz	KTFFYJHFHUFBGQ-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
C=CCNC(=S)Nc1cccc([O-])c1Cl	ZINC001200292177	982819765	/nfs/dbraw/zinc/81/97/65/982819765.db2.gz	DFWPKGLTWBNBNP-UHFFFAOYSA-N	-1	1	242.731	2.518	20	30		BFEDMM
CCOc1ccc(-c2ccccc2C=N[O-])cn1	ZINC001241707931	982967782	/nfs/dbraw/zinc/96/77/82/982967782.db2.gz	WXNQMTDBXIRMKF-UHFFFAOYSA-N	-1	1	242.278	2.955	20	30		BFEDMM
Cc1cccc(-c2nccc(F)c2C#N)c1[O-]	ZINC001242344265	983597127	/nfs/dbraw/zinc/59/71/27/983597127.db2.gz	HITGALUZAABLNA-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
CCCn1nccc1-c1cc(/C=N/[O-])ccc1F	ZINC001242846734	984196299	/nfs/dbraw/zinc/19/62/99/984196299.db2.gz	VEXXZFULTXQJDB-CXUHLZMHSA-N	-1	1	247.273	2.907	20	30		BFEDMM
N#CCc1ncccc1-c1ccc([O-])c(F)c1F	ZINC001243340781	984828558	/nfs/dbraw/zinc/82/85/58/984828558.db2.gz	HUZYVGDILYXUBB-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1cc(F)cc(CO)c1	ZINC001243697214	985226040	/nfs/dbraw/zinc/22/60/40/985226040.db2.gz	VXHHZFIBIYBPPJ-UHFFFAOYSA-N	-1	1	245.253	2.793	20	30		BFEDMM
COc1ccnc(-c2cc(C)ccc2[O-])c1C#N	ZINC001244402590	986068051	/nfs/dbraw/zinc/06/80/51/986068051.db2.gz	XZLWAKZPWPZTBG-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
Cc1cc(-c2ccncc2C#N)cc([O-])c1F	ZINC001244515213	986213446	/nfs/dbraw/zinc/21/34/46/986213446.db2.gz	FDJFHOQXGHJSMM-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1cc(-c2cc(C#N)cnn2)cc(Cl)c1[O-]	ZINC001244539550	986235562	/nfs/dbraw/zinc/23/55/62/986235562.db2.gz	WFZDYQOSGRVNAU-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
C=CCO[N-]C(=O)N=c1s[nH]c2ccccc21	ZINC001466555140	986812376	/nfs/dbraw/zinc/81/23/76/986812376.db2.gz	GGWMCMWEGUBMLP-UHFFFAOYSA-N	-1	1	249.295	2.535	20	30		BFEDMM
C=CCOC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000701180895	993874770	/nfs/dbraw/zinc/87/47/70/993874770.db2.gz	RWMOWSRPWPECGL-UHFFFAOYSA-N	-1	1	227.647	2.780	20	30		BFEDMM
C=CC[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)[O-]	ZINC001334016591	994558107	/nfs/dbraw/zinc/55/81/07/994558107.db2.gz	PBMQGGUHTODSCZ-DLOVCJGASA-N	-1	1	249.310	2.522	20	30		BFEDMM
C=CC(C)(C)CCCNC(=O)c1ccc([O-])cn1	ZINC001303334767	995151180	/nfs/dbraw/zinc/15/11/80/995151180.db2.gz	KVBAPTWVSKZSJF-UHFFFAOYSA-N	-1	1	248.326	2.509	20	30		BFEDMM
CC[C@H](C#N)Sc1nc(C)c(C2CC2)c(=O)[n-]1	ZINC000601086671	346017073	/nfs/dbraw/zinc/01/70/73/346017073.db2.gz	APGKJHLVTYMXEB-SECBINFHSA-N	-1	1	249.339	2.762	20	30		BFEDMM
N#CCCCCC(=O)Nc1ccc(F)cc1[O-]	ZINC000594336249	348035371	/nfs/dbraw/zinc/03/53/71/348035371.db2.gz	QHVMEFLCLPYDRF-UHFFFAOYSA-N	-1	1	236.246	2.554	20	30		BFEDMM
CC(C)[C@@H]1C[C@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000596271164	348481393	/nfs/dbraw/zinc/48/13/93/348481393.db2.gz	OFWKCJQZTQUIRI-NKWVEPMBSA-N	-1	1	241.747	2.546	20	30		BFEDMM
C[C@H](CC#N)c1nc(-c2ccc([O-])cc2F)no1	ZINC000596596088	348589436	/nfs/dbraw/zinc/58/94/36/348589436.db2.gz	ZQVODFMPWJDIKE-SSDOTTSWSA-N	-1	1	247.229	2.598	20	30		BFEDMM
C[C@@H](CC#N)c1nc(-c2ccc([O-])cc2F)no1	ZINC000596596089	348589537	/nfs/dbraw/zinc/58/95/37/348589537.db2.gz	ZQVODFMPWJDIKE-ZETCQYMHSA-N	-1	1	247.229	2.598	20	30		BFEDMM
CC(C)[C@@H]1CCc2[n-]n([C@@H](C)CC#N)c(=O)c2C1	ZINC000601934519	349388196	/nfs/dbraw/zinc/38/81/96/349388196.db2.gz	CERRMYDCJKTSIH-TUAOUCFPSA-N	-1	1	247.342	2.559	20	30		BFEDMM
N#CCCCSc1nc(C(F)F)cc(=O)[n-]1	ZINC000289456523	352187302	/nfs/dbraw/zinc/18/73/02/352187302.db2.gz	FQLPDDLUWSKUFU-UHFFFAOYSA-N	-1	1	245.254	2.516	20	30		BFEDMM
C#CCN(Cc1cccc([O-])c1Cl)C1CC1	ZINC000293647471	353759080	/nfs/dbraw/zinc/75/90/80/353759080.db2.gz	OLRFJTXMSJZSQA-UHFFFAOYSA-N	-1	1	235.714	2.643	20	30		BFEDMM
O=C(NC1CCC2(CC2)CC1)c1cncc([O-])c1	ZINC000329105472	355896304	/nfs/dbraw/zinc/89/63/04/355896304.db2.gz	OKKMYMXOORVAES-UHFFFAOYSA-N	-1	1	246.310	2.815	20	30		BFEDMM
Cc1nc(SCC2(C#N)CCC2)[n-]c(=O)c1C	ZINC000450904607	202306838	/nfs/dbraw/zinc/30/68/38/202306838.db2.gz	NEXMUOAMNKTQMB-UHFFFAOYSA-N	-1	1	249.339	2.585	20	30		BFEDMM
N#Cc1cc([O-])cc(C(=O)Nc2ccccc2)c1	ZINC000614293352	363782103	/nfs/dbraw/zinc/78/21/03/363782103.db2.gz	LOIXWAHKSPWFIY-UHFFFAOYSA-N	-1	1	238.246	2.516	20	30		BFEDMM
C=C(CC)CSc1nc(CC)cc(=O)[n-]1	ZINC000436193621	201314777	/nfs/dbraw/zinc/31/47/77/201314777.db2.gz	LCRFVTNQRGRVIK-UHFFFAOYSA-N	-1	1	224.329	2.803	20	30		BFEDMM
Cc1cnc(SCC(C)(C)CC#N)[n-]c1=O	ZINC000573700242	364896839	/nfs/dbraw/zinc/89/68/39/364896839.db2.gz	YHTXTWIZHHWUHF-UHFFFAOYSA-N	-1	1	237.328	2.523	20	30		BFEDMM
C=C1CCN(Cc2ccc(C(=O)[O-])s2)CC1	ZINC000382486599	367530279	/nfs/dbraw/zinc/53/02/79/367530279.db2.gz	VVQYPQUOPUCCKV-UHFFFAOYSA-N	-1	1	237.324	2.598	20	30		BFEDMM
CC#CCCSc1nc(CCC)cc(=O)[n-]1	ZINC000462385011	388267509	/nfs/dbraw/zinc/26/75/09/388267509.db2.gz	TUHJQVMBWDPYPG-UHFFFAOYSA-N	-1	1	236.340	2.640	20	30		BFEDMM
C#CCN(CC)Cc1cccc([O-])c1Cl	ZINC000295232526	135189063	/nfs/dbraw/zinc/18/90/63/135189063.db2.gz	DBICMUYZAJXDFA-UHFFFAOYSA-N	-1	1	223.703	2.501	20	30		BFEDMM
C=CC[C@@H](CC)NC(=O)c1c([O-])cccc1F	ZINC000281574418	135371252	/nfs/dbraw/zinc/37/12/52/135371252.db2.gz	AXSLZQBACYDTSU-SECBINFHSA-N	-1	1	237.274	2.616	20	30		BFEDMM
C=CC[C@H](CC)NC(=O)c1ccc([O-])cc1F	ZINC000281825653	135371286	/nfs/dbraw/zinc/37/12/86/135371286.db2.gz	WBVURNOXBZXGTP-VIFPVBQESA-N	-1	1	237.274	2.616	20	30		BFEDMM
C=C(C)CN(C)Cc1cc(C(=O)[O-])oc1CC	ZINC000652430621	411241996	/nfs/dbraw/zinc/24/19/96/411241996.db2.gz	RBIMNCBAXQIMQR-UHFFFAOYSA-N	-1	1	237.299	2.548	20	30		BFEDMM
C=C[C@H]1CCCCN1C(=O)c1ccc([O-])cc1F	ZINC000336157691	534692395	/nfs/dbraw/zinc/69/23/95/534692395.db2.gz	XKPCNEXXVKJFMK-JTQLQIEISA-N	-1	1	249.285	2.712	20	30		BFEDMM
C=CCCCNC(=O)c1ccc(Cl)cc1[O-]	ZINC000303987735	527229700	/nfs/dbraw/zinc/22/97/00/527229700.db2.gz	MEGRTLUQLXILHZ-UHFFFAOYSA-N	-1	1	239.702	2.742	20	30		BFEDMM
C=C(C)CNN=Cc1c([O-])ccc(Cl)c1F	ZINC000811650773	582481424	/nfs/dbraw/zinc/48/14/24/582481424.db2.gz	PIWSBJNLJWGJIF-UHFFFAOYSA-N	-1	1	242.681	2.684	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@H](C)c1ccccc1F	ZINC000856032006	588856567	/nfs/dbraw/zinc/85/65/67/588856567.db2.gz	GXJQXQRZZSDLJX-SNVBAGLBSA-N	-1	1	237.274	2.553	20	30		BFEDMM
N#CC[C@@H]1CCC[N@@H+](Cc2ccc(O)c(F)c2)C1	ZINC000895310617	583647171	/nfs/dbraw/zinc/64/71/71/583647171.db2.gz	PQCJRHUXCQFRRN-NSHDSACASA-N	-1	1	248.301	2.657	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000899346257	584198862	/nfs/dbraw/zinc/19/88/62/584198862.db2.gz	HPVIPKCXEXRMNB-UHFFFAOYSA-N	-1	1	226.279	2.501	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2cc(F)ccc2C)[n-]1	ZINC000899352864	584200285	/nfs/dbraw/zinc/20/02/85/584200285.db2.gz	QGRPDEBERYTJBU-UHFFFAOYSA-N	-1	1	244.269	2.640	20	30		BFEDMM
C#CCc1c(C)[n-]n([C@H](C)c2ccccc2)c1=O	ZINC000899349444	584202884	/nfs/dbraw/zinc/20/28/84/584202884.db2.gz	COSDDTXNQVNCTF-TZMCWYRMSA-N	-1	1	240.306	2.605	20	30		BFEDMM
C#CCc1c(C)[n-]n([C@@H](C)c2ccccc2)c1=O	ZINC000899349439	584203489	/nfs/dbraw/zinc/20/34/89/584203489.db2.gz	COSDDTXNQVNCTF-JSGCOSHPSA-N	-1	1	240.306	2.605	20	30		BFEDMM
C=CCN(CC=C)Cc1ccc(F)cc1C(=O)[O-]	ZINC000736108989	584988670	/nfs/dbraw/zinc/98/86/70/584988670.db2.gz	ZJEXBQJIHZHPFH-UHFFFAOYSA-N	-1	1	249.285	2.698	20	30		BFEDMM
CC[C@H](C)NN=Cc1ccc([O-])c(Cl)c1	ZINC000790181637	585958798	/nfs/dbraw/zinc/95/87/98/585958798.db2.gz	FTEILYSUUAZQAG-QMMMGPOBSA-N	-1	1	226.707	2.768	20	30		BFEDMM
C=C(C)CNN=C(C)c1ccc([O-])c(Cl)c1	ZINC000811651693	586563323	/nfs/dbraw/zinc/56/33/23/586563323.db2.gz	KHCBIYRMWDCJIM-UHFFFAOYSA-N	-1	1	238.718	2.935	20	30		BFEDMM
CC(=NOC1CCC1)c1ccc(F)cc1[O-]	ZINC000812235036	586571491	/nfs/dbraw/zinc/57/14/91/586571491.db2.gz	IXDHVXNJJNNPHH-UHFFFAOYSA-N	-1	1	223.247	2.824	20	30		BFEDMM
CC(N=Nc1ccccc1C(=O)[O-])c1ccco1	ZINC000812441855	586577313	/nfs/dbraw/zinc/57/73/13/586577313.db2.gz	HKRCYYVKRGMQDN-UHFFFAOYSA-N	-1	1	244.250	2.814	20	30		BFEDMM
C#CCC1(C(=O)[N-]OC2CCC2)CCCCC1	ZINC000812789413	586584632	/nfs/dbraw/zinc/58/46/32/586584632.db2.gz	YMPQJDPGENUGED-UHFFFAOYSA-N	-1	1	235.327	2.561	20	30		BFEDMM
C=CCC(F)(F)C(=O)Nc1ccc(F)cc1[O-]	ZINC000815877568	586695724	/nfs/dbraw/zinc/69/57/24/586695724.db2.gz	XANRHYBFKZADJE-UHFFFAOYSA-N	-1	1	245.200	2.681	20	30		BFEDMM
C=CC[C@@H]1CCC(N=Nc2nc(C)cc(=O)[n-]2)C1	ZINC000844563312	588202749	/nfs/dbraw/zinc/20/27/49/588202749.db2.gz	OHBPKOCUQRPFBD-SNVBAGLBSA-N	-1	1	246.314	2.635	20	30		BFEDMM
C=C(C)CO[N-]C(=O)[C@H](C)c1cccc(C)c1	ZINC000846537025	588271633	/nfs/dbraw/zinc/27/16/33/588271633.db2.gz	GBGRZGLPDJXPBT-GFCCVEGCSA-N	-1	1	233.311	2.722	20	30		BFEDMM
CC[C@@H](C)[C@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692058	589684664	/nfs/dbraw/zinc/68/46/64/589684664.db2.gz	WOQIYQZKHSVZHS-MNOVXSKESA-N	-1	1	246.310	2.650	20	30		BFEDMM
C=CCN(CC=C)Cc1ccc(C(=O)[O-])c(F)c1	ZINC000236468346	601639018	/nfs/dbraw/zinc/63/90/18/601639018.db2.gz	RVCSLLLXZPAKSZ-UHFFFAOYSA-N	-1	1	249.285	2.698	20	30		BFEDMM
C=CCN(C(=O)c1cc(F)ccc1[O-])C(C)C	ZINC000165376507	636032158	/nfs/dbraw/zinc/03/21/58/636032158.db2.gz	RASIHCJBPKKDNZ-UHFFFAOYSA-N	-1	1	237.274	2.568	20	30		BFEDMM
C=C(Cl)CNCc1cccc([O-])c1Cl	ZINC000328209935	633741480	/nfs/dbraw/zinc/74/14/80/633741480.db2.gz	IIHNNKUIMIZLBS-UHFFFAOYSA-N	-1	1	232.110	2.888	20	30		BFEDMM
C=C[C@H]1CCCCN1Cc1cc(C(=O)[O-])c(C)o1	ZINC000902544840	637308034	/nfs/dbraw/zinc/30/80/34/637308034.db2.gz	KCCGBVYDPHHIHG-NSHDSACASA-N	-1	1	249.310	2.827	20	30		BFEDMM
CC(C)c1noc(=NCC2(C#N)CCCCC2)[n-]1	ZINC000596499790	640849212	/nfs/dbraw/zinc/84/92/12/640849212.db2.gz	QZRLVOILAJBAJH-UHFFFAOYSA-N	-1	1	248.330	2.501	20	30		BFEDMM
CC(C)c1nc(=NCC2(C#N)CCCCC2)o[n-]1	ZINC000596499790	640849219	/nfs/dbraw/zinc/84/92/19/640849219.db2.gz	QZRLVOILAJBAJH-UHFFFAOYSA-N	-1	1	248.330	2.501	20	30		BFEDMM
[O-]c1c(F)cccc1C=NNc1ccc(F)cn1	ZINC000755706216	644618827	/nfs/dbraw/zinc/61/88/27/644618827.db2.gz	MNRHONPHVGKLPX-UHFFFAOYSA-N	-1	1	249.220	2.511	20	30		BFEDMM
C=C[C@@H](CCC)Oc1[n-]c(=S)ncc1F	ZINC001227384422	975379225	/nfs/dbraw/zinc/37/92/25/975379225.db2.gz	ZEIFTGSOTPACPB-ZETCQYMHSA-N	-1	1	228.292	2.638	20	30		BFEDMM
N#Cc1ccc(-c2ccc([O-])cc2Cl)nc1	ZINC001250462380	981143466	/nfs/dbraw/zinc/14/34/66/981143466.db2.gz	YTHQBRSXSVQNER-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
N#Cc1cccc(Nc2cc(F)c([O-])cc2F)n1	ZINC001215570303	970787603	/nfs/dbraw/zinc/78/76/03/970787603.db2.gz	DANPLYSXRFXEIF-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
CCc1cc([N-]c2nonc2C)ccc1C#N	ZINC001216315506	971028413	/nfs/dbraw/zinc/02/84/13/971028413.db2.gz	IVRLATAPZBLQHE-UHFFFAOYSA-N	-1	1	228.255	2.556	20	30		BFEDMM
Cc1nc(-c2ccc([O-])cc2Cl)cnc1C#N	ZINC001245080305	971625473	/nfs/dbraw/zinc/62/54/73/971625473.db2.gz	YYTQQZGMWRLNIF-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
N#Cc1ccncc1Nc1cc([O-])cc(F)c1	ZINC001206760363	956899776	/nfs/dbraw/zinc/89/97/76/956899776.db2.gz	OZMJEDASWZFMFL-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
O=C(/C=C\c1ccc(F)nc1)c1ccc([O-])cc1	ZINC000588523462	958930518	/nfs/dbraw/zinc/93/05/18/958930518.db2.gz	IIWFWKAZMXANOO-XFSBKJJWSA-N	-1	1	243.237	2.822	20	30		BFEDMM
C=CCCC(=O)Nc1cc([O-])c(F)cc1F	ZINC001141833632	961156760	/nfs/dbraw/zinc/15/67/60/961156760.db2.gz	JLWFVIYMAAZYDQ-UHFFFAOYSA-N	-1	1	227.210	2.575	20	30		BFEDMM
N#Cc1cccc(Nc2ccc([O-])c(F)c2F)n1	ZINC001211999993	964154083	/nfs/dbraw/zinc/15/40/83/964154083.db2.gz	GKFBTDIDMPVKGL-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
C=CC1(CC(=O)Nc2c[n-][nH]c2=O)CCCCC1	ZINC001161391975	964590206	/nfs/dbraw/zinc/59/02/06/964590206.db2.gz	SYZAUNOHWMRQJB-UHFFFAOYSA-N	-1	1	249.314	2.580	20	30		BFEDMM
N#Cc1ccccc1Cc1cccc([O-])c1F	ZINC001250047169	967303744	/nfs/dbraw/zinc/30/37/44/967303744.db2.gz	CGKLEZYKUVMGQI-UHFFFAOYSA-N	-1	1	227.238	2.994	20	30		BFEDMM
N#Cc1ncc(F)cc1Nc1cccc([O-])c1F	ZINC001212548309	967866143	/nfs/dbraw/zinc/86/61/43/967866143.db2.gz	HIMWXJHUIGYIKZ-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
N#Cc1c(F)cncc1-c1ccc([O-])cc1F	ZINC001206064691	968035410	/nfs/dbraw/zinc/03/54/10/968035410.db2.gz	NBOQHQHXWDTEBB-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1ccc(-c2cc(F)ccc2[O-])c(C#N)n1	ZINC001240696807	968644169	/nfs/dbraw/zinc/64/41/69/968644169.db2.gz	PWVTVGVRLDYNMF-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
C=C(C)c1ccc2[n-]c(C(=O)OCC)nc2c1	ZINC001240836783	968753718	/nfs/dbraw/zinc/75/37/18/968753718.db2.gz	CGSDBLOEDCHPMV-UHFFFAOYSA-N	-1	1	230.267	2.773	20	30		BFEDMM
C=C(C)c1ccc2nc(C(=O)OCC)[n-]c2c1	ZINC001240836783	968753722	/nfs/dbraw/zinc/75/37/22/968753722.db2.gz	CGSDBLOEDCHPMV-UHFFFAOYSA-N	-1	1	230.267	2.773	20	30		BFEDMM
Cc1ncc(C#N)cc1Nc1cccc(F)c1[O-]	ZINC001210194777	969826989	/nfs/dbraw/zinc/82/69/89/969826989.db2.gz	FCPDBNAFGQHNCE-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
N#Cc1cc(-c2cc(F)cc(F)n2)ccc1[O-]	ZINC001242565235	970001997	/nfs/dbraw/zinc/00/19/97/970001997.db2.gz	RZTLHYBNGDBLLS-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#CCc1cc(-c2cc(F)c([O-])cc2F)ccn1	ZINC001211359215	970249224	/nfs/dbraw/zinc/24/92/24/970249224.db2.gz	DPUKAVHROJEHMG-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
C=C[C@H](C)O/C(=N\[O-])c1cc(F)ccc1F	ZINC001223888646	973323167	/nfs/dbraw/zinc/32/31/67/973323167.db2.gz	OKUGLPKIEJXILA-GWLWYURSSA-N	-1	1	227.210	2.692	20	30		BFEDMM
C[C@H](O/C(=N\[O-])c1cc(F)ccc1F)C1CC1	ZINC001223888487	973323537	/nfs/dbraw/zinc/32/35/37/973323537.db2.gz	KKARDCMPQUKTHN-BGRJGLOKSA-N	-1	1	241.237	2.916	20	30		BFEDMM
C=CC[C@H](C)OC(=O)c1ccc([O-])cc1F	ZINC001331136408	974617433	/nfs/dbraw/zinc/61/74/33/974617433.db2.gz	WYHRQQVVQVHWKQ-QMMMGPOBSA-N	-1	1	224.231	2.653	20	30		BFEDMM
C=CC[C@H](C=C)Oc1cc([O-])cc(O)c1C(C)=O	ZINC001225674142	974639160	/nfs/dbraw/zinc/63/91/60/974639160.db2.gz	DMRDVMYFEGJYJN-NSHDSACASA-N	-1	1	248.278	2.810	20	30		BFEDMM
C=CC[C@H](CCC)Oc1cc(=O)[n-]c(=S)[nH]1	ZINC001225764087	974673905	/nfs/dbraw/zinc/67/39/05/974673905.db2.gz	DILITRJKVMVGSB-MRVPVSSYSA-N	-1	1	240.328	2.595	20	30		BFEDMM
C=C[C@@H](CCCC)Oc1cc(=O)[n-]c(=S)[nH]1	ZINC001225762709	974674640	/nfs/dbraw/zinc/67/46/40/974674640.db2.gz	PVGMHAHYESASNH-QMMMGPOBSA-N	-1	1	240.328	2.595	20	30		BFEDMM
CCC#C[C@H](C)Oc1cccc(/C=N/[O-])c1	ZINC001226113840	974796475	/nfs/dbraw/zinc/79/64/75/974796475.db2.gz	ANCQOLHTUKXDQS-IWQAVIMZSA-N	-1	1	217.268	2.675	20	30		BFEDMM
C=CC[C@H](C=C)Oc1ccc([O-])c(C#N)c1C#N	ZINC001227623974	975588820	/nfs/dbraw/zinc/58/88/20/975588820.db2.gz	WHUAOXIAWNCBKH-JTQLQIEISA-N	-1	1	240.262	2.645	20	30		BFEDMM
C=CC[C@@H](C=C)Oc1cc([O-])ccc1C#N	ZINC001228007563	975843605	/nfs/dbraw/zinc/84/36/05/975843605.db2.gz	SAVIMPBWTJOBAZ-GFCCVEGCSA-N	-1	1	215.252	2.773	20	30		BFEDMM
C[C@H](Oc1cc([O-])ccc1C#N)C(F)(F)F	ZINC001228005576	975847946	/nfs/dbraw/zinc/84/79/46/975847946.db2.gz	PQCULOIFGYXFSU-LURJTMIESA-N	-1	1	231.173	2.593	20	30		BFEDMM
C=C[C@@H](CCC)Oc1cc(=O)[n-]c(SC)n1	ZINC001228094619	975900597	/nfs/dbraw/zinc/90/05/97/975900597.db2.gz	LAINUNSATIGUDJ-QMMMGPOBSA-N	-1	1	240.328	2.638	20	30		BFEDMM
C#C[C@@H](CC(C)C)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395951	976859130	/nfs/dbraw/zinc/85/91/30/976859130.db2.gz	NUMOGEXQEBIHIA-NSHDSACASA-N	-1	1	249.266	2.727	20	30		BFEDMM
C=CC[C@H](C=C)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229399940	976860948	/nfs/dbraw/zinc/86/09/48/976860948.db2.gz	PXMJCWNOYINRQS-JTQLQIEISA-N	-1	1	235.239	2.810	20	30		BFEDMM
C=C[C@H](C)Oc1cc([O-])ccc1C(=O)CC	ZINC001229474895	976874341	/nfs/dbraw/zinc/87/43/41/976874341.db2.gz	MIOHNTSJRCOPMG-VIFPVBQESA-N	-1	1	220.268	2.938	20	30		BFEDMM
C/C(=N\[O-])c1ccccc1OC[C@@H]1CCC=CO1	ZINC001229737327	976973323	/nfs/dbraw/zinc/97/33/23/976973323.db2.gz	UNFKYRGQGFNBTF-YGRGUWMTSA-N	-1	1	247.294	2.956	20	30		BFEDMM
C/C(=N\[O-])c1ccccc1OC[C@H]1CCC=CO1	ZINC001229737326	976975538	/nfs/dbraw/zinc/97/55/38/976975538.db2.gz	UNFKYRGQGFNBTF-PKVLTRFUSA-N	-1	1	247.294	2.956	20	30		BFEDMM
C=C[C@H](CC)Oc1cc([O-])c(O)cc1C(C)=O	ZINC001234473860	978844821	/nfs/dbraw/zinc/84/48/21/978844821.db2.gz	KUGAYHBPXDKLJC-SECBINFHSA-N	-1	1	236.267	2.644	20	30		BFEDMM
C=CC[C@@H](C)Oc1cc([O-])c(O)cc1C(C)=O	ZINC001234474009	978844941	/nfs/dbraw/zinc/84/49/41/978844941.db2.gz	MWNSWXILXYUEQD-MRVPVSSYSA-N	-1	1	236.267	2.644	20	30		BFEDMM
CC(C)[C@@H](C)Oc1ccccc1C=N[O-]	ZINC001234818554	978905037	/nfs/dbraw/zinc/90/50/37/978905037.db2.gz	AZLQXGJVJDOYDU-SNVBAGLBSA-N	-1	1	207.273	2.918	20	30		BFEDMM
C#C[C@@H]1CCC[C@@H]1Oc1ccccc1C=N[O-]	ZINC001234819070	978905519	/nfs/dbraw/zinc/90/55/19/978905519.db2.gz	GVJOTWQSJZTVRV-YPMHNXCESA-N	-1	1	229.279	2.675	20	30		BFEDMM
CC1(C)CC[C@@H](COc2ccccc2C=N[O-])O1	ZINC001234821112	978907948	/nfs/dbraw/zinc/90/79/48/978907948.db2.gz	CTTHGRQFEXOBCY-LBPRGKRZSA-N	-1	1	249.310	2.831	20	30		BFEDMM
CC[C@H](F)C(=O)N([O-])Cc1ccccc1Cl	ZINC001184293547	980016906	/nfs/dbraw/zinc/01/69/06/980016906.db2.gz	YCJKJGYPDDMKGW-JTQLQIEISA-N	-1	1	245.681	2.806	20	30		BFEDMM
C=C1CC(C)(C(=O)Nc2ccc(C#N)cc2[O-])C1	ZINC001184791232	980135446	/nfs/dbraw/zinc/13/54/46/980135446.db2.gz	BXJMJONTWQRWRT-UHFFFAOYSA-N	-1	1	242.278	2.559	20	30		BFEDMM
CC(C)CON=Cc1c(F)ccc([O-])c1F	ZINC001344415035	980393011	/nfs/dbraw/zinc/39/30/11/980393011.db2.gz	FCPLRLUYPDTXLS-UHFFFAOYSA-N	-1	1	229.226	2.677	20	30		BFEDMM
COc1cnc(F)cc1-c1cccc(/C=N/[O-])c1	ZINC001239041922	980420841	/nfs/dbraw/zinc/42/08/41/980420841.db2.gz	UVTQSXZIGVJQBN-FRKPEAEDSA-N	-1	1	246.241	2.704	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1cncc(F)c1	ZINC001240236968	981198900	/nfs/dbraw/zinc/19/89/00/981198900.db2.gz	BQRYDGDCPSCDCU-UHFFFAOYSA-N	-1	1	216.215	2.696	20	30		BFEDMM
CCn1nccc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001240709969	981672938	/nfs/dbraw/zinc/67/29/38/981672938.db2.gz	AWQXYXWHEJABSL-OVCLIPMQSA-N	-1	1	233.246	2.517	20	30		BFEDMM
Cc1ccc(-c2ccc([O-])c(F)c2)nc1C#N	ZINC001240782880	981819258	/nfs/dbraw/zinc/81/92/58/981819258.db2.gz	IHDJEGGWNDFNGT-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
CC[C@H](C)COC(=O)Nc1ccc(C#N)cc1[O-]	ZINC001194805701	981905412	/nfs/dbraw/zinc/90/54/12/981905412.db2.gz	VPGOEDTWDZNIQC-VIFPVBQESA-N	-1	1	248.282	2.858	20	30		BFEDMM
N#CCc1cccnc1-c1c(F)cc([O-])cc1F	ZINC001241117437	982235313	/nfs/dbraw/zinc/23/53/13/982235313.db2.gz	OKBAOVXWALTDRK-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#CCc1cccc(-c2c(F)cc([O-])cc2F)n1	ZINC001241119168	982241820	/nfs/dbraw/zinc/24/18/20/982241820.db2.gz	YTLFFAWYBUWJRR-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1cc(F)cnc1-c1cc([O-])cc(F)c1	ZINC001241256763	982395795	/nfs/dbraw/zinc/39/57/95/982395795.db2.gz	AJTASZQNPYIYBQ-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1nccc(-c2c(F)ccc([O-])c2F)c1C#N	ZINC001241295486	982439039	/nfs/dbraw/zinc/43/90/39/982439039.db2.gz	SKVHJEVKQNJGHZ-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
COc1cc(-c2ccccc2C=N[O-])c(F)cn1	ZINC001241665147	982897275	/nfs/dbraw/zinc/89/72/75/982897275.db2.gz	CDDZTFJEROGDDU-UHFFFAOYSA-N	-1	1	246.241	2.704	20	30		BFEDMM
C=CC[C@@H](NCc1cc2ccccc2o1)C(=O)[O-]	ZINC001353899967	983064912	/nfs/dbraw/zinc/06/49/12/983064912.db2.gz	UNIQHQADRXTONO-GFCCVEGCSA-N	-1	1	245.278	2.552	20	30		BFEDMM
[O-]/N=C/c1ccc(-c2cnn(C3CC3)c2)cc1F	ZINC001241909740	983122934	/nfs/dbraw/zinc/12/29/34/983122934.db2.gz	QOXWRXWEGYTYGA-FRKPEAEDSA-N	-1	1	245.257	2.832	20	30		BFEDMM
C#C[C@@](C)(CC)N[C@H](C(=O)[O-])c1ccccc1C	ZINC001588367053	983296955	/nfs/dbraw/zinc/29/69/55/983296955.db2.gz	HNSVJJZMIFIUPX-ZFWWWQNUSA-N	-1	1	245.322	2.512	20	30		BFEDMM
N#Cc1cc(-c2ccc(F)cc2[O-])cnc1F	ZINC001242218729	983419448	/nfs/dbraw/zinc/41/94/48/983419448.db2.gz	NGFCTNHYBVUGLO-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1cccc(-c2ccc(C#N)c(F)n2)c1[O-]	ZINC001242345162	983597654	/nfs/dbraw/zinc/59/76/54/983597654.db2.gz	IGYSETKJZMWNDO-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1cc(-c2ncnc3ccccc32)ccc1[O-]	ZINC001242561798	983884521	/nfs/dbraw/zinc/88/45/21/983884521.db2.gz	CRCZHHSIWJYLKQ-UHFFFAOYSA-N	-1	1	247.257	2.874	20	30		BFEDMM
N#Cc1cnccc1-c1cccc([O-])c1Cl	ZINC001242800687	984172250	/nfs/dbraw/zinc/17/22/50/984172250.db2.gz	RDQKEPOHNFEXHT-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
C=C(CC)C(=O)Nc1cc(F)cc(F)c1[O-]	ZINC001451753178	984900743	/nfs/dbraw/zinc/90/07/43/984900743.db2.gz	IRXQAEXNPWYUOK-UHFFFAOYSA-N	-1	1	227.210	2.575	20	30		BFEDMM
Cc1ccnc(-c2cccc([O-])c2F)c1C#N	ZINC001243543950	985076972	/nfs/dbraw/zinc/07/69/72/985076972.db2.gz	SMAYGPVCQPTWKV-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1ccc(-c2cccc([O-])c2F)nc1F	ZINC001243543042	985077373	/nfs/dbraw/zinc/07/73/73/985077373.db2.gz	CDKIFGNATAEKRV-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1cc(C#N)cnc1-c1cccc([O-])c1F	ZINC001243543979	985077655	/nfs/dbraw/zinc/07/76/55/985077655.db2.gz	TULDCTCFLZTBHM-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1ccc(-c2cccc([O-])c2F)c(C#N)c1	ZINC001243547403	985098488	/nfs/dbraw/zinc/09/84/88/985098488.db2.gz	RRUPWFOCLWKCRM-UHFFFAOYSA-N	-1	1	238.221	2.942	20	30		BFEDMM
N#Cc1ccc(-c2ccc(Cl)c([O-])c2)cn1	ZINC001243577958	985135973	/nfs/dbraw/zinc/13/59/73/985135973.db2.gz	HLKOQELUDKGFNG-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
Cc1ccc([O-])c(-c2ccc(C#N)c(C)n2)c1	ZINC001244402835	986063705	/nfs/dbraw/zinc/06/37/05/986063705.db2.gz	LNDCBNAWHBKPBL-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
N#Cc1ccc(-c2ccc(Cl)cc2[O-])cn1	ZINC001244469731	986141955	/nfs/dbraw/zinc/14/19/55/986141955.db2.gz	QMNIXAXYYLTCDD-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
Cc1cc(-c2ccnc(C#N)n2)cc(Cl)c1[O-]	ZINC001244530007	986232820	/nfs/dbraw/zinc/23/28/20/986232820.db2.gz	ICTQHRZMVIECQD-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1ccc(CO)cc1F	ZINC001244914997	986465269	/nfs/dbraw/zinc/46/52/69/986465269.db2.gz	MNPQTONPVAIYAQ-UHFFFAOYSA-N	-1	1	245.253	2.793	20	30		BFEDMM
N#Cc1ccc(-c2cc(Cl)ccc2[O-])cn1	ZINC001245051054	986612313	/nfs/dbraw/zinc/61/23/13/986612313.db2.gz	SGYZNLFOGUIUHK-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
COc1cnc(F)c(-c2cccc(/C=N/[O-])c2)c1	ZINC001245063160	986621246	/nfs/dbraw/zinc/62/12/46/986621246.db2.gz	RKHHQPNZJLYCKN-FRKPEAEDSA-N	-1	1	246.241	2.704	20	30		BFEDMM
Cc1cc(C#N)nc(-c2ccc([O-])cc2Cl)n1	ZINC001245077576	986637929	/nfs/dbraw/zinc/63/79/29/986637929.db2.gz	CJPCFHHLHDKWCL-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
N#Cc1cccnc1-c1ccc([O-])cc1Cl	ZINC001245081333	986647188	/nfs/dbraw/zinc/64/71/88/986647188.db2.gz	FFMMGJHDPHQIBA-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
C=CC[C@H](CC)NC(=O)c1cccc([O-])c1F	ZINC001139355689	991227734	/nfs/dbraw/zinc/22/77/34/991227734.db2.gz	IKGMWCIRBYZVJE-VIFPVBQESA-N	-1	1	237.274	2.616	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)C12CCC(CC1)C2(C)C	ZINC001263847858	993550459	/nfs/dbraw/zinc/55/04/59/993550459.db2.gz	ZMFWGZHWXNUNIO-CDWSIMAYSA-N	-1	1	237.343	2.825	20	30		BFEDMM
CCc1cc(=O)[n-]c(SCC2(CC#N)CC2)n1	ZINC000594894140	348127484	/nfs/dbraw/zinc/12/74/84/348127484.db2.gz	DTGPYXREZOQXMT-UHFFFAOYSA-N	-1	1	249.339	2.531	20	30		BFEDMM
CC[C@@H](C)[C@H](C)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596088233	348443550	/nfs/dbraw/zinc/44/35/50/348443550.db2.gz	MZRLYSOMUWLIDX-RQJHMYQMSA-N	-1	1	243.763	2.937	20	30		BFEDMM
CC(C)C[C@H](C)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596175020	348462500	/nfs/dbraw/zinc/46/25/00/348462500.db2.gz	OGZDOTFSUQOWCD-ZETCQYMHSA-N	-1	1	243.763	2.937	20	30		BFEDMM
C=CCCCC(=O)Nc1ccc(F)cc1[O-]	ZINC000340331807	352210088	/nfs/dbraw/zinc/21/00/88/352210088.db2.gz	YCFBBRDEQVVGBD-UHFFFAOYSA-N	-1	1	223.247	2.826	20	30		BFEDMM
CCCN(CC#N)Cc1cccc([O-])c1Cl	ZINC000295380409	535272625	/nfs/dbraw/zinc/27/26/25/535272625.db2.gz	PALKMDPYDQLXQO-UHFFFAOYSA-N	-1	1	238.718	2.781	20	30		BFEDMM
Cc1cnc(SCCC(C)(C)C#N)[n-]c1=O	ZINC000390472114	357094751	/nfs/dbraw/zinc/09/47/51/357094751.db2.gz	CEJMFTVMGADZJW-UHFFFAOYSA-N	-1	1	237.328	2.523	20	30		BFEDMM
Cc1nc(S[C@@H]2CC[C@H](C#N)C2)[n-]c(=O)c1C	ZINC000450907163	202306934	/nfs/dbraw/zinc/30/69/34/202306934.db2.gz	QSTKXNCUJLCVAL-VHSXEESVSA-N	-1	1	249.339	2.583	20	30		BFEDMM
C=C(CC)CN(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC000569229736	326396359	/nfs/dbraw/zinc/39/63/59/326396359.db2.gz	MNYBMLVVQOSCLT-UHFFFAOYSA-N	-1	1	237.299	2.684	20	30		BFEDMM
C=CCCC(C)(C)CNC(=O)c1cncc([O-])c1	ZINC000633964488	373862334	/nfs/dbraw/zinc/86/23/34/373862334.db2.gz	BKJLMDOJLRDJSN-UHFFFAOYSA-N	-1	1	248.326	2.509	20	30		BFEDMM
CCc1noc(C)c1[N-]C(=O)c1ncoc1CC	ZINC000330454403	386716777	/nfs/dbraw/zinc/71/67/77/386716777.db2.gz	MSLYPUWTQQNYBM-UHFFFAOYSA-N	-1	1	249.270	2.732	20	30		BFEDMM
CCc1cc(=O)[n-]c(S[C@H]2CC[C@@H](C#N)C2)n1	ZINC000336257121	387088463	/nfs/dbraw/zinc/08/84/63/387088463.db2.gz	FNHUAXRXEBZNMM-SCZZXKLOSA-N	-1	1	249.339	2.529	20	30		BFEDMM
C=CCCN(C)C(=O)c1ccc(Cl)cc1[O-]	ZINC000276131212	166255020	/nfs/dbraw/zinc/25/50/20/166255020.db2.gz	LQGBHANDUMLUFG-UHFFFAOYSA-N	-1	1	239.702	2.694	20	30		BFEDMM
C=CCN(CC=C)[C@H](C)c1ccc(C(=O)[O-])o1	ZINC000011884381	166336764	/nfs/dbraw/zinc/33/67/64/166336764.db2.gz	TZZRAPWORLZFMQ-SNVBAGLBSA-N	-1	1	235.283	2.713	20	30		BFEDMM
C[C@H]1CCC[C@@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000596114608	411165853	/nfs/dbraw/zinc/16/58/53/411165853.db2.gz	LDOIBBJRVHYQKR-BQBZGAKWSA-N	-1	1	241.747	2.691	20	30		BFEDMM
N#Cc1cc([O-])cc(C(=O)Nc2ccsc2)c1	ZINC000614297817	487656121	/nfs/dbraw/zinc/65/61/21/487656121.db2.gz	HAPDNGBARZXWQA-UHFFFAOYSA-N	-1	1	244.275	2.578	20	30		BFEDMM
CCC#C[C@@H](C)Sc1nc(CC)cc(=O)[n-]1	ZINC000683454399	488165347	/nfs/dbraw/zinc/16/53/47/488165347.db2.gz	KZPQDFHEMJNWLT-SECBINFHSA-N	-1	1	236.340	2.639	20	30		BFEDMM
C=C[C@@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1	ZINC000683883817	488236063	/nfs/dbraw/zinc/23/60/63/488236063.db2.gz	LCYVCZLTDKYNNM-LLVKDONJSA-N	-1	1	249.285	2.712	20	30		BFEDMM
C=C[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-]	ZINC000336615905	534691161	/nfs/dbraw/zinc/69/11/61/534691161.db2.gz	SVRBFNVIDRLTEN-NSHDSACASA-N	-1	1	249.285	2.712	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1ccc(CC)cc1	ZINC000846551087	582658589	/nfs/dbraw/zinc/65/85/89/582658589.db2.gz	QVGUTXRQZVNLHQ-VXGBXAGGSA-N	-1	1	247.338	2.975	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@H]1CCCc2ccccc21	ZINC000856030095	588856360	/nfs/dbraw/zinc/85/63/60/588856360.db2.gz	ORXSMXSKPXETLV-AWEZNQCLSA-N	-1	1	245.322	2.730	20	30		BFEDMM
C=C[C@H](C)ON=Cc1c(C)ccc(F)c1[O-]	ZINC000901262419	584417221	/nfs/dbraw/zinc/41/72/21/584417221.db2.gz	XAAXFAHAPDNAEY-VIFPVBQESA-N	-1	1	223.247	2.765	20	30		BFEDMM
CCCON=Cc1c([O-])ccc(Cl)c1F	ZINC000842554088	584998138	/nfs/dbraw/zinc/99/81/38/584998138.db2.gz	MVXMITUXWJHWBF-UHFFFAOYSA-N	-1	1	231.654	2.945	20	30		BFEDMM
Cc1cc(C(=O)/C=C\c2ccc([O-])c(F)c2)no1	ZINC000752876510	585250813	/nfs/dbraw/zinc/25/08/13/585250813.db2.gz	LDSDVTBMQQMKTI-HYXAFXHYSA-N	-1	1	247.225	2.724	20	30		BFEDMM
C=CCN(C(=O)c1ccc([O-])c(F)c1)C(C)C	ZINC000767960468	585528749	/nfs/dbraw/zinc/52/87/49/585528749.db2.gz	OQWKIHYCQSQENP-UHFFFAOYSA-N	-1	1	237.274	2.568	20	30		BFEDMM
[O-]c1c(F)cccc1C=NOC/C=C\Cl	ZINC000811672439	586565918	/nfs/dbraw/zinc/56/59/18/586565918.db2.gz	YZHLFBIZXMMVQT-ZCNAHOTGSA-N	-1	1	229.638	2.634	20	30		BFEDMM
[O-]c1ccc(Cl)c(F)c1C=NOCC1CC1	ZINC000814242308	586619374	/nfs/dbraw/zinc/61/93/74/586619374.db2.gz	YKVZLKBPWYYJTB-UHFFFAOYSA-N	-1	1	243.665	2.945	20	30		BFEDMM
C#CCC1(C(=O)[N-]OCCC2CC2)CCCCC1	ZINC000817429816	586805162	/nfs/dbraw/zinc/80/51/62/586805162.db2.gz	IMOXLXFDSMCIID-UHFFFAOYSA-N	-1	1	249.354	2.808	20	30		BFEDMM
CCC[C@@H](CC)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000825268082	587312419	/nfs/dbraw/zinc/31/24/19/587312419.db2.gz	OHNDWZCLNHZWLQ-GFCCVEGCSA-N	-1	1	246.310	2.795	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@H](C)c1ccccc1C	ZINC000825557376	587325073	/nfs/dbraw/zinc/32/50/73/587325073.db2.gz	YLEKAYVCEKUXMF-GFCCVEGCSA-N	-1	1	233.311	2.722	20	30		BFEDMM
CC(C)(C)C#CC(=O)Nc1c([O-])cccc1F	ZINC000837498412	587877838	/nfs/dbraw/zinc/87/78/38/587877838.db2.gz	FUSZTEXMILPVQE-UHFFFAOYSA-N	-1	1	235.258	2.519	20	30		BFEDMM
[O-]c1ccc(C=NNC23CC(C2)C3)cc1Cl	ZINC000842546907	588040520	/nfs/dbraw/zinc/04/05/20/588040520.db2.gz	PMASGTPGZPDKOR-UHFFFAOYSA-N	-1	1	236.702	2.522	20	30		BFEDMM
C=C(C)CO[N-]C(=O)[C@@H](C)c1cccc(C)c1	ZINC000846537026	588271705	/nfs/dbraw/zinc/27/17/05/588271705.db2.gz	GBGRZGLPDJXPBT-LBPRGKRZSA-N	-1	1	233.311	2.722	20	30		BFEDMM
C#CCC1(C(=O)[N-]O[C@@H](C)C=C)CCCCC1	ZINC000846555185	588276938	/nfs/dbraw/zinc/27/69/38/588276938.db2.gz	PFNZWBPHUYUNLH-LBPRGKRZSA-N	-1	1	235.327	2.583	20	30		BFEDMM
C#CCC(C)(C)C(=O)Nc1cccc(F)c1[O-]	ZINC000863009991	589251897	/nfs/dbraw/zinc/25/18/97/589251897.db2.gz	LZJVAKBQUDKCGL-UHFFFAOYSA-N	-1	1	235.258	2.519	20	30		BFEDMM
C=C(C)CN(C)Cc1cc(C(=O)[O-])ccc1F	ZINC000382476587	605846691	/nfs/dbraw/zinc/84/66/91/605846691.db2.gz	JDBUPZAKZCBUPO-UHFFFAOYSA-N	-1	1	237.274	2.532	20	30		BFEDMM
CCON=Cc1ccc([O-])c(Br)c1	ZINC000308293616	631216298	/nfs/dbraw/zinc/21/62/98/631216298.db2.gz	GRTQZKWACWCJMO-UHFFFAOYSA-N	-1	1	244.088	2.525	20	30		BFEDMM
Cc1ncccc1/C=C\C(=O)c1ccc([O-])cc1	ZINC000255712836	632702609	/nfs/dbraw/zinc/70/26/09/632702609.db2.gz	DPKGEODVTFCKFM-TWGQIWQCSA-N	-1	1	239.274	2.992	20	30		BFEDMM
O=C1c2ccc([O-])cc2C/C1=C\c1cncs1	ZINC000187224537	634100532	/nfs/dbraw/zinc/10/05/32/634100532.db2.gz	SDMUIOVEAJJHSS-WEVVVXLNSA-N	-1	1	243.287	2.671	20	30		BFEDMM
CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc[nH]1	ZINC000916240844	641919366	/nfs/dbraw/zinc/91/93/66/641919366.db2.gz	YWQIWDZUHRMQEQ-UHFFFAOYSA-N	-1	1	243.266	2.549	20	30		BFEDMM
CCCCNN=Cc1ccc([O-])c(Cl)c1	ZINC000921258113	642590263	/nfs/dbraw/zinc/59/02/63/642590263.db2.gz	KVABKQHXIQWBOW-UHFFFAOYSA-N	-1	1	226.707	2.769	20	30		BFEDMM
C=C(Cl)CNC(=O)c1ccc(Cl)cc1[O-]	ZINC000077018218	643497569	/nfs/dbraw/zinc/49/75/69/643497569.db2.gz	LJAHOTKABZCMRP-UHFFFAOYSA-N	-1	1	246.093	2.528	20	30		BFEDMM
[O-]c1c(F)cccc1C=NOCCC1CC1	ZINC000814245891	644941468	/nfs/dbraw/zinc/94/14/68/644941468.db2.gz	MGXRWKFWCMPMNH-UHFFFAOYSA-N	-1	1	223.247	2.682	20	30		BFEDMM
C=CCN(CC=C)Cc1cc(C(=O)[O-])cs1	ZINC000711377168	712296392	/nfs/dbraw/zinc/29/63/92/712296392.db2.gz	HJBDOUFLGFLODQ-UHFFFAOYSA-N	-1	1	237.324	2.620	20	30		BFEDMM
CN(CCC#N)Cc1cc(F)c(Cl)cc1[O-]	ZINC001237946413	980114629	/nfs/dbraw/zinc/11/46/29/980114629.db2.gz	LSYJZIBCCDGYPP-UHFFFAOYSA-N	-1	1	242.681	2.530	20	30		BFEDMM
C=C(C)CCC(=O)Nc1ccc([O-])c(F)c1F	ZINC001347128114	980985610	/nfs/dbraw/zinc/98/56/10/980985610.db2.gz	GTKWDUVBZSYTEU-UHFFFAOYSA-N	-1	1	241.237	2.965	20	30		BFEDMM
Cc1cc(Nc2ncccc2C#N)cc([O-])c1F	ZINC001216077486	970926160	/nfs/dbraw/zinc/92/61/60/970926160.db2.gz	KAMNQPBTOPPLFZ-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccc(F)cc2C)[n-]1	ZINC001245952272	972108410	/nfs/dbraw/zinc/10/84/10/972108410.db2.gz	MCJOJBYRHVPEMY-UHFFFAOYSA-N	-1	1	244.269	2.591	20	30		BFEDMM
C=C(C)CO[N-]C(=O)[C@@H](C)c1ccccc1C	ZINC000824028707	972262915	/nfs/dbraw/zinc/26/29/15/972262915.db2.gz	QBVQNVOAFYQCMV-LBPRGKRZSA-N	-1	1	233.311	2.722	20	30		BFEDMM
C=CC[C@@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)F	ZINC000692253871	957656607	/nfs/dbraw/zinc/65/66/07/957656607.db2.gz	TVSIDNCAAIIOQG-RKDXNWHRSA-N	-1	1	235.249	2.800	20	30		BFEDMM
N#Cc1ccncc1Nc1ccc(F)c([O-])c1	ZINC001211215387	958065815	/nfs/dbraw/zinc/06/58/15/958065815.db2.gz	JGUZDCUTLKMZSX-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
N#Cc1cccnc1Nc1ccc(F)c([O-])c1	ZINC001211215400	958069127	/nfs/dbraw/zinc/06/91/27/958069127.db2.gz	JVSFQXXQMUIEGL-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
N#Cc1cccc(Nc2cc(F)c([O-])c(F)c2)n1	ZINC001213373297	959066534	/nfs/dbraw/zinc/06/65/34/959066534.db2.gz	BWTRMCNZMSMXDP-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
C=CCn1cc(-c2ccc(/C=N/[O-])c(F)c2)cn1	ZINC001222405615	972464881	/nfs/dbraw/zinc/46/48/81/972464881.db2.gz	SYWZYWCOTUCJCW-LZYBPNLTSA-N	-1	1	245.257	2.683	20	30		BFEDMM
C#CC[C@H](CC)Oc1cc([O-])ccc1C(C)=O	ZINC001225618965	962435933	/nfs/dbraw/zinc/43/59/33/962435933.db2.gz	KGZVBPKSZWCRJQ-LBPRGKRZSA-N	-1	1	232.279	2.776	20	30		BFEDMM
Cc1cnc(Nc2cccc([O-])c2F)c(C#N)c1	ZINC001212546918	967863518	/nfs/dbraw/zinc/86/35/18/967863518.db2.gz	AKTAGMREKJVUIQ-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
Cc1cc(-c2ccc([O-])cc2F)ncc1C#N	ZINC001206030048	967990772	/nfs/dbraw/zinc/99/07/72/967990772.db2.gz	MPLDXSOLUBHFAK-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1cncc(Nc2cccc(F)c2[O-])c1	ZINC001210086641	969793857	/nfs/dbraw/zinc/79/38/57/969793857.db2.gz	OOYXOLDDOUPYAW-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
N#Cc1cncc(Nc2cc([O-])c(F)c(F)c2)c1	ZINC001210086750	969795431	/nfs/dbraw/zinc/79/54/31/969795431.db2.gz	UKEHYKQVQFEJJI-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
N#Cc1ccnc(Nc2cccc(F)c2[O-])c1	ZINC001210196439	969827505	/nfs/dbraw/zinc/82/75/05/969827505.db2.gz	TXDQEDWVIOGDFG-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
N#Cc1cnoc1Nc1cccc(Cl)c1[O-]	ZINC001210215812	969836215	/nfs/dbraw/zinc/83/62/15/969836215.db2.gz	NRNATTNUSNCVKC-UHFFFAOYSA-N	-1	1	235.630	2.649	20	30		BFEDMM
N#Cc1cc(-c2ccc3cc[nH]c3n2)ccc1[O-]	ZINC001242561666	970000264	/nfs/dbraw/zinc/00/02/64/970000264.db2.gz	ASHAIDXSOBKMGW-UHFFFAOYSA-N	-1	1	235.246	2.807	20	30		BFEDMM
Cc1c(F)nccc1-c1ccc([O-])c(C#N)c1	ZINC001242565136	970002062	/nfs/dbraw/zinc/00/20/62/970002062.db2.gz	NIAKMBIMVWCHFR-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1cc(-c2ccc([O-])c(F)c2F)ccn1	ZINC001243342776	970480915	/nfs/dbraw/zinc/48/09/15/970480915.db2.gz	UDCBSPQNEHYEDP-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
CC[C@@H](C)O/C(=N\[O-])c1cc(F)ccc1F	ZINC001223888698	973324012	/nfs/dbraw/zinc/32/40/12/973324012.db2.gz	QUKUVYIXWZAJOK-ODFQPRPBSA-N	-1	1	229.226	2.916	20	30		BFEDMM
CC(=O)c1ccc([O-])cc1O[C@@H]1CC[C@@H](C#N)C1	ZINC001225617011	974595114	/nfs/dbraw/zinc/59/51/14/974595114.db2.gz	SRIXVZXLTMWAEB-ZYHUDNBSSA-N	-1	1	245.278	2.666	20	30		BFEDMM
C=C[C@H](CCCC)Oc1cc(=O)[n-]c(=S)[nH]1	ZINC001225762708	974673733	/nfs/dbraw/zinc/67/37/33/974673733.db2.gz	PVGMHAHYESASNH-MRVPVSSYSA-N	-1	1	240.328	2.595	20	30		BFEDMM
C=CC[C@@H](CCCC)Oc1cnc[n-]c1=O	ZINC001227051863	975239967	/nfs/dbraw/zinc/23/99/67/975239967.db2.gz	QGNDVARUWUXUEM-JTQLQIEISA-N	-1	1	222.288	2.696	20	30		BFEDMM
CC1(C)CC[C@@H](COc2cc([O-])ccc2C#N)O1	ZINC001228005977	975848307	/nfs/dbraw/zinc/84/83/07/975848307.db2.gz	VIDXJKAJFOWBHN-LBPRGKRZSA-N	-1	1	247.294	2.600	20	30		BFEDMM
C=C[C@H](C)Oc1cc([O-])cc(O)c1C(=O)CC	ZINC001228560219	976327833	/nfs/dbraw/zinc/32/78/33/976327833.db2.gz	LJGVGVAKWHYAEI-QMMMGPOBSA-N	-1	1	236.267	2.644	20	30		BFEDMM
CC#CC[C@@H](CC)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395729	976858662	/nfs/dbraw/zinc/85/86/62/976858662.db2.gz	KNJAIBLATXMEON-LLVKDONJSA-N	-1	1	249.266	2.871	20	30		BFEDMM
C#C[C@@H](CC)Oc1ccccc1/C(C)=N/[O-]	ZINC001229737252	976976651	/nfs/dbraw/zinc/97/66/51/976976651.db2.gz	SVBCGZNEFZFHRK-IWQAVIMZSA-N	-1	1	217.268	2.675	20	30		BFEDMM
CC(C)[C@H](C)Oc1ccccc1C=N[O-]	ZINC001234818553	978904791	/nfs/dbraw/zinc/90/47/91/978904791.db2.gz	AZLQXGJVJDOYDU-JTQLQIEISA-N	-1	1	207.273	2.918	20	30		BFEDMM
C=CC[C@@H]1CCN1[C@H](C(=O)[O-])c1ccsc1	ZINC001602855073	979313008	/nfs/dbraw/zinc/31/30/08/979313008.db2.gz	FXLKQXHHTBRANB-MNOVXSKESA-N	-1	1	237.324	2.524	20	30		BFEDMM
CC1(CC(=O)Nc2ccc(C#N)cc2[O-])CCC1	ZINC001185103909	980176631	/nfs/dbraw/zinc/17/66/31/980176631.db2.gz	WHELLJSKNFKPHC-UHFFFAOYSA-N	-1	1	244.294	2.783	20	30		BFEDMM
COc1ncccc1-c1cc(/C=N/[O-])ccc1F	ZINC001239857745	980999707	/nfs/dbraw/zinc/99/97/07/980999707.db2.gz	BDRMOGFAGTYFGC-LZYBPNLTSA-N	-1	1	246.241	2.704	20	30		BFEDMM
N#Cc1ncc(-c2ccc([O-])c(F)c2)cc1F	ZINC001240786010	981829906	/nfs/dbraw/zinc/82/99/06/981829906.db2.gz	YZKALLCINUUALI-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
CC[C@@H](C)COC(=O)Nc1c([O-])cccc1C#N	ZINC001194805620	981905908	/nfs/dbraw/zinc/90/59/08/981905908.db2.gz	UOSNGPFRHIJVPB-SECBINFHSA-N	-1	1	248.282	2.858	20	30		BFEDMM
Cc1cc(C#N)cnc1-c1cc([O-])cc(F)c1	ZINC001241257365	982395536	/nfs/dbraw/zinc/39/55/36/982395536.db2.gz	JKCQWOVDKVSYGM-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1nc(-c2c(F)ccc([O-])c2F)ccc1C#N	ZINC001241288920	982430388	/nfs/dbraw/zinc/43/03/88/982430388.db2.gz	BIXXJBMDDJLYDQ-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
Cc1ccnc(C#N)c1-c1c(F)ccc([O-])c1F	ZINC001241295693	982438048	/nfs/dbraw/zinc/43/80/48/982438048.db2.gz	XYHKRYOQEMQJIL-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
COc1ccncc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001242060663	983272277	/nfs/dbraw/zinc/27/22/77/983272277.db2.gz	OPMSTXAAACRUAP-FRKPEAEDSA-N	-1	1	246.241	2.704	20	30		BFEDMM
N#Cc1ncccc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001242311674	983541918	/nfs/dbraw/zinc/54/19/18/983541918.db2.gz	CIKXNZAVOWMAKM-CAOOACKPSA-N	-1	1	241.225	2.567	20	30		BFEDMM
COc1ccc(C#N)c(-c2cccc(C)c2[O-])n1	ZINC001242348541	983613604	/nfs/dbraw/zinc/61/36/04/983613604.db2.gz	MAZXTVCVMOBZGO-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
N#Cc1cc(-c2cccc(F)c2[O-])cnc1F	ZINC001242351986	983630084	/nfs/dbraw/zinc/63/00/84/983630084.db2.gz	GGWLHSRUYBWGER-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
C=C[C@@H]1CCCCN1Cc1cc(C)c(C(=O)[O-])[nH]1	ZINC001588719119	983958911	/nfs/dbraw/zinc/95/89/11/983958911.db2.gz	LLKNHUQTCRBRPI-GFCCVEGCSA-N	-1	1	248.326	2.562	20	30		BFEDMM
[O-]/N=C/c1ccc(F)c(-c2nccs2)c1	ZINC001242897992	984257983	/nfs/dbraw/zinc/25/79/83/984257983.db2.gz	OPZKZRKCWXBTRW-AWNIVKPZSA-N	-1	1	222.244	2.757	20	30		BFEDMM
Cc1ccnc(-c2ccc(F)c([O-])c2)c1C#N	ZINC001243047125	984389038	/nfs/dbraw/zinc/38/90/38/984389038.db2.gz	BVJKJXZTHGHDCU-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1c(F)ccnc1-c1ccc(F)c([O-])c1	ZINC001243053807	984408633	/nfs/dbraw/zinc/40/86/33/984408633.db2.gz	GNDGUYXZFRCKFB-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#CCc1ccc(-c2ccc([O-])c(F)c2F)nc1	ZINC001243337783	984830791	/nfs/dbraw/zinc/83/07/91/984830791.db2.gz	CMQJUVGRFGVFKQ-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
Cc1ncc(-c2ccccc2C=N[O-])s1	ZINC001243386774	984874907	/nfs/dbraw/zinc/87/49/07/984874907.db2.gz	QXCHIHHOXIDSNP-UHFFFAOYSA-N	-1	1	218.281	2.927	20	30		BFEDMM
C=C/C(=N\COC)c1ccc(Cl)c([O-])c1	ZINC001243579598	985132806	/nfs/dbraw/zinc/13/28/06/985132806.db2.gz	VKBBWOASDJUEKP-JLHYYAGUSA-N	-1	1	225.675	2.625	20	30		BFEDMM
Cc1nocc1-c1cc(/C=N/[O-])ccc1F	ZINC001243678332	985187915	/nfs/dbraw/zinc/18/79/15/985187915.db2.gz	SHEQBHBOYZCXSB-WLRTZDKTSA-N	-1	1	220.203	2.597	20	30		BFEDMM
Cc1ccc([O-])c(-c2nnc(C)c(C)c2C#N)c1	ZINC001244403490	986069036	/nfs/dbraw/zinc/06/90/36/986069036.db2.gz	YOUPIMWXAQJSMS-UHFFFAOYSA-N	-1	1	239.278	2.646	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1cccc(F)c1CO	ZINC001244563359	986252012	/nfs/dbraw/zinc/25/20/12/986252012.db2.gz	OOCKYAPCCWYMIO-UHFFFAOYSA-N	-1	1	245.253	2.793	20	30		BFEDMM
C=C(C)CN(CC)C(=O)c1ccc(F)c([O-])c1	ZINC001539643373	990576321	/nfs/dbraw/zinc/57/63/21/990576321.db2.gz	PDOOBOSATYWRJQ-UHFFFAOYSA-N	-1	1	237.274	2.570	20	30		BFEDMM
C=CCN(Cc1ccc([O-])c(F)c1F)C1CC1	ZINC001308674867	991090470	/nfs/dbraw/zinc/09/04/70/991090470.db2.gz	XNTILXXHKDQFQG-UHFFFAOYSA-N	-1	1	239.265	2.821	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)C12CCC(CC1)C2(C)C	ZINC001263847859	993552947	/nfs/dbraw/zinc/55/29/47/993552947.db2.gz	ZMFWGZHWXNUNIO-IFQILLTASA-N	-1	1	237.343	2.825	20	30		BFEDMM
C=C(C)Cn1[n-]c2c(c1=O)CCCCCC2	ZINC000634604132	343000961	/nfs/dbraw/zinc/00/09/61/343000961.db2.gz	WALNGUKXDZYUKS-NSHDSACASA-N	-1	1	220.316	2.731	20	30		BFEDMM
N#CCCCCC(=O)Nc1cccc(F)c1[O-]	ZINC000600447210	344121281	/nfs/dbraw/zinc/12/12/81/344121281.db2.gz	XWQSCUONTRQMTD-UHFFFAOYSA-N	-1	1	236.246	2.554	20	30		BFEDMM
CC(C)C[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596175019	348462586	/nfs/dbraw/zinc/46/25/86/348462586.db2.gz	OGZDOTFSUQOWCD-SSDOTTSWSA-N	-1	1	243.763	2.937	20	30		BFEDMM
CC[C@H](N=c1[n-]c(C#N)c(Cl)s1)C1CC1	ZINC000596485312	348558712	/nfs/dbraw/zinc/55/87/12/348558712.db2.gz	GJUXODJTOLYPOD-ZETCQYMHSA-N	-1	1	241.747	2.691	20	30		BFEDMM
CC(C)[C@@H]1CCc2[n-]n([C@@H](C)CC#N)c(=O)c2C1	ZINC000601934518	349388067	/nfs/dbraw/zinc/38/80/67/349388067.db2.gz	CERRMYDCJKTSIH-QJPTWQEYSA-N	-1	1	247.342	2.559	20	30		BFEDMM
CC[C@H](C#N)Sc1nc(C(F)F)cc(=O)[n-]1	ZINC000289298491	352178947	/nfs/dbraw/zinc/17/89/47/352178947.db2.gz	BDIOUTQADDTHPQ-RXMQYKEDSA-N	-1	1	245.254	2.514	20	30		BFEDMM
Cc1cnc(C(=O)N[C@@H]2C=CCCC2)c([O-])c1	ZINC000330890633	353199117	/nfs/dbraw/zinc/19/91/17/353199117.db2.gz	WJMMPYMSKBRJIU-SNVBAGLBSA-N	-1	1	232.283	2.509	20	30		BFEDMM
Cc1nc(S[C@H]2CC[C@@H](C#N)C2)[n-]c(=O)c1C	ZINC000450907164	202305366	/nfs/dbraw/zinc/30/53/66/202305366.db2.gz	QSTKXNCUJLCVAL-ZJUUUORDSA-N	-1	1	249.339	2.583	20	30		BFEDMM
CCC(C)(CC)NC(=O)c1cc([O-])cc(C#N)c1	ZINC000614369193	363795208	/nfs/dbraw/zinc/79/52/08/363795208.db2.gz	FGIRMVUIHIXYCH-UHFFFAOYSA-N	-1	1	246.310	2.572	20	30		BFEDMM
C=C(C)CCNC(=O)c1ccc(Cl)cc1[O-]	ZINC000386654538	368006322	/nfs/dbraw/zinc/00/63/22/368006322.db2.gz	CIJMFHJPOWMUBN-UHFFFAOYSA-N	-1	1	239.702	2.742	20	30		BFEDMM
C=CCSc1nc(C)c(C2CC2)c(=O)[n-]1	ZINC000631024163	370929136	/nfs/dbraw/zinc/92/91/36/370929136.db2.gz	MNKQFZRUQCJQMI-UHFFFAOYSA-N	-1	1	222.313	2.646	20	30		BFEDMM
CCC(C)(C)N(C)C(=O)c1cc([O-])cc(C#N)c1	ZINC000619421617	369339139	/nfs/dbraw/zinc/33/91/39/369339139.db2.gz	UOZJFOPKXWAHMJ-UHFFFAOYSA-N	-1	1	246.310	2.524	20	30		BFEDMM
O=C(CC1CCC1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000079700574	384507889	/nfs/dbraw/zinc/50/78/89/384507889.db2.gz	VQYFSFAIAPATOR-UHFFFAOYSA-N	-1	1	248.208	2.602	20	30		BFEDMM
CCCN(CC#N)Cc1c([O-])cccc1Cl	ZINC000130815819	385284373	/nfs/dbraw/zinc/28/43/73/385284373.db2.gz	QZTTVSFHCHCZST-UHFFFAOYSA-N	-1	1	238.718	2.781	20	30		BFEDMM
N#Cc1cnccc1/C=C/c1cc([O-])cc(F)c1	ZINC000335938772	134013871	/nfs/dbraw/zinc/01/38/71/134013871.db2.gz	XATRLGNSSGRFHZ-OWOJBTEDSA-N	-1	1	240.237	2.968	20	30		BFEDMM
C=CC[C@H](C)NC(=O)c1ccc(Cl)cc1[O-]	ZINC000116987809	323893341	/nfs/dbraw/zinc/89/33/41/323893341.db2.gz	VKGMDLVTMOYAKQ-QMMMGPOBSA-N	-1	1	239.702	2.740	20	30		BFEDMM
C=CC[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-]	ZINC000116987810	323893446	/nfs/dbraw/zinc/89/34/46/323893446.db2.gz	VKGMDLVTMOYAKQ-MRVPVSSYSA-N	-1	1	239.702	2.740	20	30		BFEDMM
C=C1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1	ZINC000568062892	326302458	/nfs/dbraw/zinc/30/24/58/326302458.db2.gz	UPRIIMVRIYXBLC-LLVKDONJSA-N	-1	1	249.310	2.999	20	30		BFEDMM
C=CC[C@@H](CC)NC(=O)c1ccc([O-])c(F)c1	ZINC000684988224	487484519	/nfs/dbraw/zinc/48/45/19/487484519.db2.gz	RIWVKSOUPGTYTL-SNVBAGLBSA-N	-1	1	237.274	2.616	20	30		BFEDMM
[O-]c1c(F)cccc1C=NOCC1CCC1	ZINC000853439876	588743031	/nfs/dbraw/zinc/74/30/31/588743031.db2.gz	UJACQUTWWKMBRP-UHFFFAOYSA-N	-1	1	223.247	2.682	20	30		BFEDMM
O=C1c2ccc([O-])cc2C/C1=C/c1cccnc1	ZINC000141466112	583582290	/nfs/dbraw/zinc/58/22/90/583582290.db2.gz	TZEFNTDEQAFOEX-SDQBBNPISA-N	-1	1	237.258	2.610	20	30		BFEDMM
CC[C@H](C)[C@@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692060	583926553	/nfs/dbraw/zinc/92/65/53/583926553.db2.gz	WOQIYQZKHSVZHS-WDEREUQCSA-N	-1	1	246.310	2.650	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccccc2C)[n-]1	ZINC000899346345	584198966	/nfs/dbraw/zinc/19/89/66/584198966.db2.gz	KKDNQYKLWSKCGA-UHFFFAOYSA-N	-1	1	226.279	2.501	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2cccc(C)c2)[n-]1	ZINC000899346420	584198991	/nfs/dbraw/zinc/19/89/91/584198991.db2.gz	NIWPWYVZDHFGFT-UHFFFAOYSA-N	-1	1	226.279	2.501	20	30		BFEDMM
C=CCC(C)(C)CNc1cc(Cl)[n-]c(=O)n1	ZINC000858555102	588965090	/nfs/dbraw/zinc/96/50/90/588965090.db2.gz	SGSPSYRIOFBWRB-UHFFFAOYSA-N	-1	1	241.722	2.850	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccccc2CC)[n-]1	ZINC000899346992	584199098	/nfs/dbraw/zinc/19/90/98/584199098.db2.gz	DNLHYRBYRSUYOE-UHFFFAOYSA-N	-1	1	240.306	2.755	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccc(CC)cc2)[n-]1	ZINC000899348973	584202291	/nfs/dbraw/zinc/20/22/91/584202291.db2.gz	RCBUUDQYBYXZIK-UHFFFAOYSA-N	-1	1	240.306	2.755	20	30		BFEDMM
C=C1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)CC1	ZINC000902231836	584542621	/nfs/dbraw/zinc/54/26/21/584542621.db2.gz	SMZFFDWGGZWVPA-SNAWJCMRSA-N	-1	1	247.294	2.529	20	30		BFEDMM
CC[C@@H]1CCCC(N=Nc2nc(C)cc(=O)[n-]2)C1	ZINC000734976608	584970806	/nfs/dbraw/zinc/97/08/06/584970806.db2.gz	HFPCFVVPXAGQNY-SNVBAGLBSA-N	-1	1	248.330	2.859	20	30		BFEDMM
CC(C)N(CCC#N)Cc1ccccc1O	ZINC000770509712	585575275	/nfs/dbraw/zinc/57/52/75/585575275.db2.gz	RVWVNUMKNGUCMV-UHFFFAOYSA-N	-1	1	218.300	2.516	20	30		BFEDMM
N#CC(=C([O-])C1=CCCCCC1)c1ccncn1	ZINC000774415676	585658120	/nfs/dbraw/zinc/65/81/20/585658120.db2.gz	QZOKSZWTZKBRAU-GFCCVEGCSA-N	-1	1	241.294	2.543	20	30		BFEDMM
CCCCCCCCCOC(=O)c1cn[n-]n1	ZINC000805603845	585730251	/nfs/dbraw/zinc/73/02/51/585730251.db2.gz	WGZDDTBTXNUATG-UHFFFAOYSA-N	-1	1	239.319	2.712	20	30		BFEDMM
C=CCCOC(=O)c1c(C)n[nH]c1C(C)C	ZINC000786338680	585889492	/nfs/dbraw/zinc/88/94/92/585889492.db2.gz	CXVSNYOSGHGNRO-UHFFFAOYSA-N	-1	1	222.288	2.574	20	30		BFEDMM
C=C(C)CNN=C(C)c1cc(F)cc(F)c1[O-]	ZINC000811651303	586563258	/nfs/dbraw/zinc/56/32/58/586563258.db2.gz	QJWGPWLRBWJCJZ-UHFFFAOYSA-N	-1	1	240.253	2.560	20	30		BFEDMM
CC(=NNc1ccccc1C(=O)[O-])c1ccc[nH]1	ZINC000812442239	586577246	/nfs/dbraw/zinc/57/72/46/586577246.db2.gz	WAPWFWWORAVMOP-UHFFFAOYSA-N	-1	1	243.266	2.549	20	30		BFEDMM
CCCCNN=Cc1cccc([O-])c1Cl	ZINC000814805200	586635790	/nfs/dbraw/zinc/63/57/90/586635790.db2.gz	BKALPJBUJHUORW-UHFFFAOYSA-N	-1	1	226.707	2.769	20	30		BFEDMM
CC(C)CNN=Cc1cc(Cl)c(F)cc1[O-]	ZINC000814892089	586643779	/nfs/dbraw/zinc/64/37/79/586643779.db2.gz	JMCMKYQPKLGWGG-UHFFFAOYSA-N	-1	1	244.697	2.764	20	30		BFEDMM
CC[C@H](C)NN=Cc1cccc([O-])c1Cl	ZINC000814913690	586649773	/nfs/dbraw/zinc/64/97/73/586649773.db2.gz	SUMFNUZHPPPUFQ-QMMMGPOBSA-N	-1	1	226.707	2.768	20	30		BFEDMM
[O-]c1cccc(C=NOCC2CC2)c1Cl	ZINC000814941035	586655908	/nfs/dbraw/zinc/65/59/08/586655908.db2.gz	MCLRXFAMGVCCOE-UHFFFAOYSA-N	-1	1	225.675	2.806	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1cccc(F)c1	ZINC000846545529	588273714	/nfs/dbraw/zinc/27/37/14/588273714.db2.gz	HEHQHWLGOLYYEF-NXEZZACHSA-N	-1	1	237.274	2.552	20	30		BFEDMM
C#CCC1(C(=O)[N-]O[C@H](C)C=C)CCCCC1	ZINC000846555183	588276817	/nfs/dbraw/zinc/27/68/17/588276817.db2.gz	PFNZWBPHUYUNLH-GFCCVEGCSA-N	-1	1	235.327	2.583	20	30		BFEDMM
C=C(C)Cn1[n-]c2c(c1=O)CCC(C)(C)C2	ZINC000871950849	589840180	/nfs/dbraw/zinc/84/01/80/589840180.db2.gz	FXOIIAOOHNJZNN-JTQLQIEISA-N	-1	1	220.316	2.587	20	30		BFEDMM
CC[C@@H](C)NN=C(C)c1c([O-])cccc1F	ZINC000884454706	591939498	/nfs/dbraw/zinc/93/94/98/591939498.db2.gz	UVUGNBCOGKEMFV-MRVPVSSYSA-N	-1	1	224.279	2.643	20	30		BFEDMM
CON=C(C)c1ccc(Br)cc1[O-]	ZINC000308362677	631306268	/nfs/dbraw/zinc/30/62/68/631306268.db2.gz	MTFXDADJAYNTCF-UHFFFAOYSA-N	-1	1	244.088	2.525	20	30		BFEDMM
C=C[C@@H]1CCCCN1Cc1cc(C)c(C(=O)[O-])o1	ZINC000902545136	637308753	/nfs/dbraw/zinc/30/87/53/637308753.db2.gz	REFNDGWAVZTJAT-LLVKDONJSA-N	-1	1	249.310	2.827	20	30		BFEDMM
C=CCCCC(=O)Nc1cc([O-])c(F)cc1F	ZINC000909982500	639298607	/nfs/dbraw/zinc/29/86/07/639298607.db2.gz	IUESYOKPZULRGH-UHFFFAOYSA-N	-1	1	241.237	2.965	20	30		BFEDMM
C=C(Cl)CNC(=O)c1cc(Cl)ccc1[O-]	ZINC000077018105	643497832	/nfs/dbraw/zinc/49/78/32/643497832.db2.gz	KVWJJPVAFMAPOE-UHFFFAOYSA-N	-1	1	246.093	2.528	20	30		BFEDMM
C#CCO[N-]C(=O)C[C@H](C)CCCCCC	ZINC000812783176	644931606	/nfs/dbraw/zinc/93/16/06/644931606.db2.gz	BXSVMOFJQKECAC-GFCCVEGCSA-N	-1	1	225.332	2.664	20	30		BFEDMM
C#CCN(Cc1cccc([O-])c1Cl)C(C)C	ZINC000897170667	711784712	/nfs/dbraw/zinc/78/47/12/711784712.db2.gz	DXRLENIMZUBPNR-UHFFFAOYSA-N	-1	1	237.730	2.889	20	30		BFEDMM
CCCON=C(C)c1c([O-])cccc1F	ZINC001331337842	974688806	/nfs/dbraw/zinc/68/88/06/974688806.db2.gz	ZWCNDLLDYIGBRA-UHFFFAOYSA-N	-1	1	211.236	2.682	20	30		BFEDMM
Cc1ccc(C#N)c(-c2cccc([O-])c2F)n1	ZINC001243543695	970791603	/nfs/dbraw/zinc/79/16/03/970791603.db2.gz	OVYPVNZQLVGTHR-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1cc(Nc2cccnc2C#N)cc([O-])c1F	ZINC001216079288	970928242	/nfs/dbraw/zinc/92/82/42/970928242.db2.gz	UIQFIPTYDTYHQC-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
Cc1cnc(Nc2cc([O-])cc(F)c2)c(C#N)c1	ZINC001206774265	957081142	/nfs/dbraw/zinc/08/11/42/957081142.db2.gz	HWDXMRPRZUUGNQ-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
C=CC[C@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000692253869	957654752	/nfs/dbraw/zinc/65/47/52/957654752.db2.gz	TVSIDNCAAIIOQG-IUCAKERBSA-N	-1	1	235.249	2.800	20	30		BFEDMM
N#Cc1cc(-c2cc([O-])cc(Cl)c2)ccn1	ZINC001235904728	966154373	/nfs/dbraw/zinc/15/43/73/966154373.db2.gz	RPAKJJSGTFMNSS-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
Cc1ccc(C#N)c([N-]c2nonc2C2CC2)c1	ZINC001249899695	967137931	/nfs/dbraw/zinc/13/79/31/967137931.db2.gz	VPOMDDDWJXCVRG-UHFFFAOYSA-N	-1	1	240.266	2.871	20	30		BFEDMM
N#Cc1ccnc(Nc2cc(F)cc(F)c2[O-])c1	ZINC001212477611	967484050	/nfs/dbraw/zinc/48/40/50/967484050.db2.gz	JTLLYEVDPSAEJT-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
Cc1cnc(C#N)c(Nc2cccc([O-])c2F)c1	ZINC001212547565	967862331	/nfs/dbraw/zinc/86/23/31/967862331.db2.gz	PHOYNXBBVQWZGU-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
N#Cc1ccc(-c2ccc([O-])cc2F)nc1F	ZINC001206037458	968003089	/nfs/dbraw/zinc/00/30/89/968003089.db2.gz	IQVTYBLFTFRDEY-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1ccc(-c2ccc([O-])cc2F)c(C#N)n1	ZINC001206057744	968024592	/nfs/dbraw/zinc/02/45/92/968024592.db2.gz	LZSBRTGMJFXYBD-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1cnoc1[N-]c1cc(F)cc(F)c1F	ZINC001206382941	968271989	/nfs/dbraw/zinc/27/19/89/968271989.db2.gz	IZXMNCSJVVPHDN-UHFFFAOYSA-N	-1	1	239.156	2.707	20	30		BFEDMM
N#CCc1ccnc(-c2c(F)cc([O-])cc2F)c1	ZINC001241117984	968932241	/nfs/dbraw/zinc/93/22/41/968932241.db2.gz	BFIBRVMTTDWUQB-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1cc(Nc2ccc(F)cc2[O-])ccc1O	ZINC001210017225	969758625	/nfs/dbraw/zinc/75/86/25/969758625.db2.gz	TUUMAMXDTRXGAT-UHFFFAOYSA-N	-1	1	244.225	2.852	20	30		BFEDMM
Cc1ccc(Nc2ncc(F)cc2[O-])c(C#N)c1	ZINC001210565867	969943505	/nfs/dbraw/zinc/94/35/05/969943505.db2.gz	LLSHIWXQDLZJDD-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
Cc1ccnc(C#N)c1Nc1ccc(F)c([O-])c1	ZINC001211217157	970175662	/nfs/dbraw/zinc/17/56/62/970175662.db2.gz	WSOSOAIMOIHNJC-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
C#C[C@H](CC)O/C(=N\[O-])c1cc(F)ccc1F	ZINC001223889293	973324871	/nfs/dbraw/zinc/32/48/71/973324871.db2.gz	BCRUFZBFNCZJGF-MCQFYPOTSA-N	-1	1	239.221	2.529	20	30		BFEDMM
[O-]/N=C(\O[C@H]1C=CCC1)c1cc(F)ccc1F	ZINC001223890722	973326019	/nfs/dbraw/zinc/32/60/19/973326019.db2.gz	XXMDUWIRXDZXSC-YHMWOKNVSA-N	-1	1	239.221	2.836	20	30		BFEDMM
C#C[C@H](Oc1cc([O-])ccc1C(C)=O)C(C)C	ZINC001225619564	974599456	/nfs/dbraw/zinc/59/94/56/974599456.db2.gz	WIEXGPCIKKQORV-ZDUSSCGKSA-N	-1	1	232.279	2.631	20	30		BFEDMM
[O-]/N=C/c1cccc(OCCOC2CCCC2)c1	ZINC001226115109	974794937	/nfs/dbraw/zinc/79/49/37/974794937.db2.gz	WUAAFDHKBNQKAY-RVDMUPIBSA-N	-1	1	249.310	2.833	20	30		BFEDMM
C=C[C@@H](C)Oc1cc(=O)[n-]c(-c2ccccc2)n1	ZINC001226181217	974819971	/nfs/dbraw/zinc/81/99/71/974819971.db2.gz	CNUCQZNTMHAJLT-SNVBAGLBSA-N	-1	1	242.278	2.803	20	30		BFEDMM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cnc[n-]c1=O	ZINC001227051693	975240734	/nfs/dbraw/zinc/24/07/34/975240734.db2.gz	NRYCBAMHFKBIBJ-WOPDTQHZSA-N	-1	1	248.326	2.942	20	30		BFEDMM
C[C@@H](Oc1cc([O-])ccc1C#N)c1ccncc1	ZINC001228005249	975846703	/nfs/dbraw/zinc/84/67/03/975846703.db2.gz	JVJDCILZHNKBHB-SNVBAGLBSA-N	-1	1	240.262	2.799	20	30		BFEDMM
CCC#C[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229753420	976977982	/nfs/dbraw/zinc/97/79/82/976977982.db2.gz	JBIHCPYRUHOMTH-SNVBAGLBSA-N	-1	1	249.266	2.790	20	30		BFEDMM
C=CCN(CC=C)Cc1c([O-])ccc(F)c1F	ZINC001233335414	978568730	/nfs/dbraw/zinc/56/87/30/978568730.db2.gz	UGFZELVMPNNQKQ-UHFFFAOYSA-N	-1	1	239.265	2.844	20	30		BFEDMM
[O-]N=Cc1ccccc1OCCOC1CCCC1	ZINC001234820339	978903479	/nfs/dbraw/zinc/90/34/79/978903479.db2.gz	VNJDZKJJLJJYDR-UHFFFAOYSA-N	-1	1	249.310	2.833	20	30		BFEDMM
C#C[C@H](CC(C)C)Oc1ccccc1C=N[O-]	ZINC001234817834	978907184	/nfs/dbraw/zinc/90/71/84/978907184.db2.gz	ADDNVTBFRGGXIU-CYBMUJFWSA-N	-1	1	231.295	2.921	20	30		BFEDMM
C[C@H](Oc1ccccc1C=N[O-])C1CCOCC1	ZINC001234823771	978910517	/nfs/dbraw/zinc/91/05/17/978910517.db2.gz	YJAGKSXHNDEFGL-NSHDSACASA-N	-1	1	249.310	2.689	20	30		BFEDMM
O=C([O-])c1c(F)cccc1N=NCc1ccco1	ZINC001602230077	979094134	/nfs/dbraw/zinc/09/41/34/979094134.db2.gz	DIBUBTJEUCTJQZ-UHFFFAOYSA-N	-1	1	248.213	2.563	20	30		BFEDMM
C#C[C@H](CCC)N[C@@H](C(=O)[O-])c1ccccc1C	ZINC001602671219	979157384	/nfs/dbraw/zinc/15/73/84/979157384.db2.gz	OZVUEUDGINSWTG-TZMCWYRMSA-N	-1	1	245.322	2.512	20	30		BFEDMM
C#C[C@H](CCC)N[C@H](C(=O)[O-])c1ccccc1C	ZINC001602671217	979158238	/nfs/dbraw/zinc/15/82/38/979158238.db2.gz	OZVUEUDGINSWTG-OCCSQVGLSA-N	-1	1	245.322	2.512	20	30		BFEDMM
N#Cc1cccc(-c2cc([O-])cc(Cl)c2)n1	ZINC001235900019	979188735	/nfs/dbraw/zinc/18/87/35/979188735.db2.gz	SARFOHQFDQMKOC-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
Cc1ccc(F)c(-c2ccc(CC#N)cn2)c1[O-]	ZINC001236391143	979577238	/nfs/dbraw/zinc/57/72/38/979577238.db2.gz	LPKMTFNMGFCDJQ-UHFFFAOYSA-N	-1	1	242.253	2.968	20	30		BFEDMM
Cc1ccc(F)c(-c2ccncc2C#N)c1[O-]	ZINC001236403207	979582378	/nfs/dbraw/zinc/58/23/78/979582378.db2.gz	ILOPFGIBOOVIDZ-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1ncc(-c2cccc(/C=N/[O-])c2)cc1F	ZINC001238991350	980409966	/nfs/dbraw/zinc/40/99/66/980409966.db2.gz	LSTRVXWKGCLKNJ-REZTVBANSA-N	-1	1	241.225	2.567	20	30		BFEDMM
[O-]/N=C/c1ccc(-c2ccoc2)cc1F	ZINC001239690821	980850131	/nfs/dbraw/zinc/85/01/31/980850131.db2.gz	QQJWRFZEMPVLNM-AWNIVKPZSA-N	-1	1	205.188	2.894	20	30		BFEDMM
COc1ccc(-c2ccccc2C=N[O-])cn1	ZINC001239727862	980880230	/nfs/dbraw/zinc/88/02/30/980880230.db2.gz	PDNQJYBLUQJUHJ-UHFFFAOYSA-N	-1	1	228.251	2.565	20	30		BFEDMM
CCCn1cc(-c2ccc(/C=N/[O-])c(F)c2)cn1	ZINC001240134529	981137476	/nfs/dbraw/zinc/13/74/76/981137476.db2.gz	YETMOQUSXVWBHZ-LZYBPNLTSA-N	-1	1	247.273	2.907	20	30		BFEDMM
[O-]/N=C/c1ccc(F)c(-c2cncc(F)c2)c1	ZINC001240236774	981198729	/nfs/dbraw/zinc/19/87/29/981198729.db2.gz	SBNNURPBEPMTIX-FZSIALSZSA-N	-1	1	234.205	2.835	20	30		BFEDMM
N#CCc1ccc(-c2cc(F)ccc2[O-])nc1	ZINC001240694842	981603546	/nfs/dbraw/zinc/60/35/46/981603546.db2.gz	XUAABRZYHLYMLS-UHFFFAOYSA-N	-1	1	228.226	2.659	20	30		BFEDMM
Cc1cc(-c2ccccc2[O-])ncc1C#N	ZINC001241002973	982085615	/nfs/dbraw/zinc/08/56/15/982085615.db2.gz	DIIKICBJRNTOQH-UHFFFAOYSA-N	-1	1	210.236	2.634	20	30		BFEDMM
CC[C@H](C)OC(=O)Nc1ccc([O-])c(C#N)c1	ZINC001195121711	982102504	/nfs/dbraw/zinc/10/25/04/982102504.db2.gz	KZWGABZTFVQGPD-QMMMGPOBSA-N	-1	1	234.255	2.611	20	30		BFEDMM
Cc1ccc(-c2ccc(C#N)c(F)n2)c([O-])c1	ZINC001241035703	982139472	/nfs/dbraw/zinc/13/94/72/982139472.db2.gz	DKRQMJSAHRVVRH-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
[O-]/N=C/c1ccc(-c2ccncc2F)cc1F	ZINC001241227957	982376482	/nfs/dbraw/zinc/37/64/82/982376482.db2.gz	OKTZOFUWQJVMEH-OMCISZLKSA-N	-1	1	234.205	2.835	20	30		BFEDMM
[O-]/N=C/c1ccc(F)c(-c2ccc(F)cn2)c1	ZINC001241809461	983065769	/nfs/dbraw/zinc/06/57/69/983065769.db2.gz	BXISPDPFRKWNLH-OMCISZLKSA-N	-1	1	234.205	2.835	20	30		BFEDMM
COc1cc(-c2cccc(C)c2[O-])ncc1C#N	ZINC001242342771	983595691	/nfs/dbraw/zinc/59/56/91/983595691.db2.gz	DUYZVOJKRLHURU-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
N#Cc1cc(-c2cnc3ccccc3n2)ccc1[O-]	ZINC001242561707	983884831	/nfs/dbraw/zinc/88/48/31/983884831.db2.gz	AZVNCDCVBDWEDX-UHFFFAOYSA-N	-1	1	247.257	2.874	20	30		BFEDMM
Cc1ccc(-c2ccc(F)c([O-])c2)c(C#N)n1	ZINC001243048129	984393315	/nfs/dbraw/zinc/39/33/15/984393315.db2.gz	HWLXQJMZWQFFJQ-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1c(F)cncc1-c1ccc(F)c([O-])c1	ZINC001243050971	984411736	/nfs/dbraw/zinc/41/17/36/984411736.db2.gz	JFIJMOPXGRGQSO-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1nc(-c2ccc(F)c([O-])c2)ccc1C#N	ZINC001243054977	984422274	/nfs/dbraw/zinc/42/22/74/984422274.db2.gz	WSJBNMJCCMLLNB-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#CCc1ccncc1-c1ccc([O-])c(F)c1F	ZINC001243341330	984832493	/nfs/dbraw/zinc/83/24/93/984832493.db2.gz	NZUCVEAYAVXVLR-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#CCc1cc(-c2cc(F)cc(F)c2[O-])ccn1	ZINC001243505919	985062590	/nfs/dbraw/zinc/06/25/90/985062590.db2.gz	MYIPFUXNKQVZPO-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#CCc1cc(-c2cc(F)c([O-])c(F)c2)ccn1	ZINC001244095813	985808799	/nfs/dbraw/zinc/80/87/99/985808799.db2.gz	DSQFBKNJWVXGMG-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
Cc1ccc([O-])c(-c2ncc(F)cc2C#N)c1	ZINC001244402245	986063191	/nfs/dbraw/zinc/06/31/91/986063191.db2.gz	TUCDTQWOZXQROX-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
COc1cnc(F)c(-c2ccccc2C=N[O-])c1	ZINC001245063988	986626269	/nfs/dbraw/zinc/62/62/69/986626269.db2.gz	KALLFXHQQVACPY-UHFFFAOYSA-N	-1	1	246.241	2.704	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2cc(C)ccc2C)[n-]1	ZINC001245952250	987237764	/nfs/dbraw/zinc/23/77/64/987237764.db2.gz	VODTUIHCIJSZMX-UHFFFAOYSA-N	-1	1	240.306	2.761	20	30		BFEDMM
C=C[C@@H](C)ON=C(C)c1c([O-])cccc1F	ZINC001119299645	988899482	/nfs/dbraw/zinc/89/94/82/988899482.db2.gz	VLRJLONVWUUQNJ-MRVPVSSYSA-N	-1	1	223.247	2.846	20	30		BFEDMM
N#CC(=C([O-])c1cccs1)c1cccc(F)n1	ZINC001524695766	990008136	/nfs/dbraw/zinc/00/81/36/990008136.db2.gz	JIGGBCRNWQHAJI-QMMMGPOBSA-N	-1	1	246.266	2.772	20	30		BFEDMM
CCCCN([O-])C(=O)C(F)(F)c1ccccc1	ZINC001559035268	991025163	/nfs/dbraw/zinc/02/51/63/991025163.db2.gz	JQIHUESOHBBAAM-UHFFFAOYSA-N	-1	1	243.253	2.796	20	30		BFEDMM
C=C(CC)C(=O)NCc1cccc(Cl)c1[O-]	ZINC001263966029	993632927	/nfs/dbraw/zinc/63/29/27/993632927.db2.gz	WLPQLASUXJMUQR-UHFFFAOYSA-N	-1	1	239.702	2.628	20	30		BFEDMM
C=CC[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-]	ZINC001334016594	994561313	/nfs/dbraw/zinc/56/13/13/994561313.db2.gz	PBMQGGUHTODSCZ-WCQGTBRESA-N	-1	1	249.310	2.522	20	30		BFEDMM
O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])cc1	ZINC000005843955	398281080	/nfs/dbraw/zinc/28/10/80/398281080.db2.gz	FZQLEXXZAVVCCA-XCVCLJGOSA-N	-1	1	240.258	2.994	20	30	in-vivo	BFEDMM
CCc1cc(=O)n(-c2ccc(C#N)c(Cl)c2)[n-]1	ZINC000601948036	343649853	/nfs/dbraw/zinc/64/98/53/343649853.db2.gz	IMQDQPCAPJBAHN-UHFFFAOYSA-N	-1	1	247.685	2.714	20	30		BFEDMM
CC(C)[C@@H]1CCc2[n-]n([C@H](C)CC#N)c(=O)c2C1	ZINC000601934517	349388125	/nfs/dbraw/zinc/38/81/25/349388125.db2.gz	CERRMYDCJKTSIH-IJLUTSLNSA-N	-1	1	247.342	2.559	20	30		BFEDMM
Cc1cnc(C(=O)NCC2CCCC2)c([O-])c1	ZINC000330888522	353191958	/nfs/dbraw/zinc/19/19/58/353191958.db2.gz	UMZOXBVFPPODAQ-UHFFFAOYSA-N	-1	1	234.299	2.590	20	30		BFEDMM
Cc1cnc(C(=O)N[C@H]2CC=CCC2)c([O-])c1	ZINC000331174498	353224901	/nfs/dbraw/zinc/22/49/01/353224901.db2.gz	GGLQVANNZJQTPJ-JTQLQIEISA-N	-1	1	232.283	2.509	20	30		BFEDMM
Cc1cnc(C(=O)N[C@@H]2CC=CCC2)c([O-])c1	ZINC000331174499	353225066	/nfs/dbraw/zinc/22/50/66/353225066.db2.gz	GGLQVANNZJQTPJ-SNVBAGLBSA-N	-1	1	232.283	2.509	20	30		BFEDMM
C=CCCCN(C)C(=O)c1cc(F)ccc1[O-]	ZINC000080029280	353383943	/nfs/dbraw/zinc/38/39/43/353383943.db2.gz	VGXKOCMSSBPPSL-UHFFFAOYSA-N	-1	1	237.274	2.570	20	30		BFEDMM
C=CC[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)C1	ZINC000628489880	359624794	/nfs/dbraw/zinc/62/47/94/359624794.db2.gz	JQWAFZAMQTWKEX-SNVBAGLBSA-N	-1	1	249.285	2.570	20	30		BFEDMM
C=C1CCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1	ZINC000382495719	367530912	/nfs/dbraw/zinc/53/09/12/367530912.db2.gz	JDSMSPGNXJNBFE-SNVBAGLBSA-N	-1	1	235.283	2.691	20	30		BFEDMM
C=C(C)CCSc1ncc(C)c(=O)[n-]1	ZINC000581954951	368020800	/nfs/dbraw/zinc/02/08/00/368020800.db2.gz	QKFZUIVDNCTWAG-UHFFFAOYSA-N	-1	1	210.302	2.549	20	30		BFEDMM
C=CCCC(=O)Nc1ccc([O-])c(Cl)c1	ZINC000082879654	384273824	/nfs/dbraw/zinc/27/38/24/384273824.db2.gz	WYQYRCIQXOGLIB-UHFFFAOYSA-N	-1	1	225.675	2.950	20	30		BFEDMM
CC#CCCSc1nc(C2CC2)cc(=O)[n-]1	ZINC000195083834	388097119	/nfs/dbraw/zinc/09/71/19/388097119.db2.gz	SSMSOROKOUYFJV-UHFFFAOYSA-N	-1	1	234.324	2.565	20	30		BFEDMM
C=CCCCC(=O)Nc1nc(Cl)ccc1[O-]	ZINC000194576320	135643779	/nfs/dbraw/zinc/64/37/79/135643779.db2.gz	YTBQTMWQNJYGIF-UHFFFAOYSA-N	-1	1	240.690	2.735	20	30		BFEDMM
C=C1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1	ZINC000568062893	326302348	/nfs/dbraw/zinc/30/23/48/326302348.db2.gz	UPRIIMVRIYXBLC-NSHDSACASA-N	-1	1	249.310	2.999	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@H](CC)c1ccccc1	ZINC000856030406	588856279	/nfs/dbraw/zinc/85/62/79/588856279.db2.gz	YJJYJZOXGOJROG-CYBMUJFWSA-N	-1	1	233.311	2.804	20	30		BFEDMM
C#CC[N@H+](Cc1cc(F)cc(F)c1O)C(C)C	ZINC000897171057	583888825	/nfs/dbraw/zinc/88/88/25/583888825.db2.gz	PBGRUGUTSPIGAO-UHFFFAOYSA-N	-1	1	239.265	2.514	20	30		BFEDMM
CSCCON=Cc1c(C)ccc(F)c1[O-]	ZINC000901235848	584405231	/nfs/dbraw/zinc/40/52/31/584405231.db2.gz	LBSVYGSICQEVAS-UHFFFAOYSA-N	-1	1	243.303	2.553	20	30		BFEDMM
CC(C)[C@@H](F)C(=O)N([O-])Cc1ccc(F)cc1	ZINC000904172958	584845997	/nfs/dbraw/zinc/84/59/97/584845997.db2.gz	FFUMQQFYBLULQC-LLVKDONJSA-N	-1	1	243.253	2.538	20	30		BFEDMM
C=CCCC(N=Nc1nc(C)cc(=O)[n-]1)C1CC1	ZINC000747736167	585183002	/nfs/dbraw/zinc/18/30/02/585183002.db2.gz	NGPDWFNIAIYHES-UHFFFAOYSA-N	-1	1	246.314	2.635	20	30		BFEDMM
O=C(/C=C\c1ccc([O-])c(F)c1)c1cccnc1	ZINC000755570455	585301715	/nfs/dbraw/zinc/30/17/15/585301715.db2.gz	XVXWCSOMZSWFKS-HYXAFXHYSA-N	-1	1	243.237	2.822	20	30		BFEDMM
[O-]c1c(F)cccc1C=NNC1CCCCC1	ZINC000786042829	585885683	/nfs/dbraw/zinc/88/56/83/585885683.db2.gz	AIRGIQQQQALCHY-UHFFFAOYSA-N	-1	1	236.290	2.788	20	30		BFEDMM
C=CCCN(C)C(=O)c1c([O-])cccc1Cl	ZINC000787361176	585907724	/nfs/dbraw/zinc/90/77/24/585907724.db2.gz	PXPQWBVOGXQPKF-UHFFFAOYSA-N	-1	1	239.702	2.694	20	30		BFEDMM
C#CCC1(C(=O)[N-]OCC(C)C)CCCCC1	ZINC000788233685	585919537	/nfs/dbraw/zinc/91/95/37/585919537.db2.gz	AFDIMLWKNRTCQQ-UHFFFAOYSA-N	-1	1	237.343	2.664	20	30		BFEDMM
CC(C)CNN=Cc1c([O-])ccc(Cl)c1F	ZINC000790170497	585959237	/nfs/dbraw/zinc/95/92/37/585959237.db2.gz	NODOIAIMIAHMSZ-UHFFFAOYSA-N	-1	1	244.697	2.764	20	30		BFEDMM
CC[C@@H](C)NN=C(C)c1cc(F)cc(F)c1[O-]	ZINC000790189537	585959459	/nfs/dbraw/zinc/95/94/59/585959459.db2.gz	OWLXRSQRWSNHBN-SSDOTTSWSA-N	-1	1	242.269	2.783	20	30		BFEDMM
CC[C@H](C)NN=C(C)c1cc(F)cc(F)c1[O-]	ZINC000790189538	585959499	/nfs/dbraw/zinc/95/94/99/585959499.db2.gz	OWLXRSQRWSNHBN-ZETCQYMHSA-N	-1	1	242.269	2.783	20	30		BFEDMM
CC[C@H](C)NN=Cc1c([O-])ccc(Cl)c1F	ZINC000790183491	585959911	/nfs/dbraw/zinc/95/99/11/585959911.db2.gz	SOVXUQNSMQGTPM-ZETCQYMHSA-N	-1	1	244.697	2.907	20	30		BFEDMM
CSCCON=C(C)c1ccc(F)cc1[O-]	ZINC000794573143	586044439	/nfs/dbraw/zinc/04/44/39/586044439.db2.gz	SZEJENLELCBJOG-UHFFFAOYSA-N	-1	1	243.303	2.635	20	30		BFEDMM
Cc1cc(C)c(C(=O)/C=C/c2cocn2)c([O-])c1	ZINC000799895124	586201870	/nfs/dbraw/zinc/20/18/70/586201870.db2.gz	MCYFPGBKIXFQRG-ONEGZZNKSA-N	-1	1	243.262	2.893	20	30		BFEDMM
[O-]c1cccc(C=NOC2CCC2)c1Cl	ZINC000814936339	586654687	/nfs/dbraw/zinc/65/46/87/586654687.db2.gz	LSYMBYYTNFGOCS-UHFFFAOYSA-N	-1	1	225.675	2.949	20	30		BFEDMM
CCCCCC(C)N=Nc1nc(C)cc(=O)[n-]1	ZINC000818194689	586878687	/nfs/dbraw/zinc/87/86/87/586878687.db2.gz	NOJQNQFFOMRBLU-UHFFFAOYSA-N	-1	1	236.319	2.859	20	30		BFEDMM
C=CCO[N-]C(=O)[C@@H](C)c1cccc(Cl)c1	ZINC000837047751	587851045	/nfs/dbraw/zinc/85/10/45/587851045.db2.gz	IKMKBOWUWPJNJV-VIFPVBQESA-N	-1	1	239.702	2.677	20	30		BFEDMM
C=C(C)CO[N-]C(=O)Cc1ccc(Cl)s1	ZINC000846533483	588269601	/nfs/dbraw/zinc/26/96/01/588269601.db2.gz	JLUWCDDFYJHHCD-UHFFFAOYSA-N	-1	1	245.731	2.568	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)[C@H](C)c1cccc(F)c1	ZINC000846545531	588273837	/nfs/dbraw/zinc/27/38/37/588273837.db2.gz	HEHQHWLGOLYYEF-VHSXEESVSA-N	-1	1	237.274	2.552	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)[C@H](C)c1ccc(CC)cc1	ZINC000846551083	588275819	/nfs/dbraw/zinc/27/58/19/588275819.db2.gz	QVGUTXRQZVNLHQ-NWDGAFQWSA-N	-1	1	247.338	2.975	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)[C@@]1(C)C[C@@H]1c1ccccc1	ZINC000846553740	588276704	/nfs/dbraw/zinc/27/67/04/588276704.db2.gz	DUXJJSCUYZOZQW-LNSITVRQSA-N	-1	1	245.322	2.803	20	30		BFEDMM
C=C1CC(C)(C(=O)[N-]OC2CCCCC2)C1	ZINC000867547425	589525152	/nfs/dbraw/zinc/52/51/52/589525152.db2.gz	CLPSWYXSWMSBGK-UHFFFAOYSA-N	-1	1	223.316	2.723	20	30		BFEDMM
C=C1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000876694048	590231195	/nfs/dbraw/zinc/23/11/95/590231195.db2.gz	CXPXLQBZRJINBH-UHFFFAOYSA-N	-1	1	239.265	2.822	20	30		BFEDMM
CCC(CC)NN=Cc1ccc([O-])c(F)c1F	ZINC000884430752	591932642	/nfs/dbraw/zinc/93/26/42/591932642.db2.gz	AHDSRRTTWDMPRM-UHFFFAOYSA-N	-1	1	242.269	2.783	20	30		BFEDMM
C=C(Cl)CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000191505462	641926433	/nfs/dbraw/zinc/92/64/33/641926433.db2.gz	PLPMDYQKTRYQQB-UHFFFAOYSA-N	-1	1	242.731	2.904	20	30		BFEDMM
C#CCO[N-]C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1	ZINC000812786246	712586429	/nfs/dbraw/zinc/58/64/29/712586429.db2.gz	GGHZLKLNICGIDY-NEPJUHHUSA-N	-1	1	237.343	2.520	20	30		BFEDMM
C=C[C@H](CCC)Oc1cc([O-])ccc1C#N	ZINC001228006742	975846329	/nfs/dbraw/zinc/84/63/29/975846329.db2.gz	HFMDGRBAOPMHRM-GFCCVEGCSA-N	-1	1	217.268	2.997	20	30		BFEDMM
C=CC(C=C)Oc1nc2sccc2[n-]1	ZINC001234848838	978917090	/nfs/dbraw/zinc/91/70/90/978917090.db2.gz	WJTJRVRLIIJGAW-UHFFFAOYSA-N	-1	1	206.270	2.744	20	30		BFEDMM
C=CCOC(=O)Nc1cc([O-])c(Cl)cc1F	ZINC001194318722	981657795	/nfs/dbraw/zinc/65/77/95/981657795.db2.gz	KQZZOZMATQBQCA-UHFFFAOYSA-N	-1	1	245.637	2.919	20	30		BFEDMM
N#CCc1cncc(-c2cc(F)cc(F)c2[O-])c1	ZINC001243504192	970785569	/nfs/dbraw/zinc/78/55/69/970785569.db2.gz	KASVUNOCDPHTKG-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1cnc(-c2cccc([O-])c2F)c(F)c1	ZINC001243541358	970793136	/nfs/dbraw/zinc/79/31/36/970793136.db2.gz	FGTDVYRBNASTGP-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
C=CC[C@@H]1CCCC[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000692253866	957655524	/nfs/dbraw/zinc/65/55/24/957655524.db2.gz	TVSIDNCAAIIOQG-BDAKNGLRSA-N	-1	1	235.249	2.800	20	30		BFEDMM
Cc1cnc(C#N)c(Nc2ccc(F)c([O-])c2)c1	ZINC001211214805	958067601	/nfs/dbraw/zinc/06/76/01/958067601.db2.gz	LAIUIZQRVXLZQC-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
O=C(/C=C\c1ccc([O-])c(F)c1)c1ccncc1	ZINC000588386444	960023398	/nfs/dbraw/zinc/02/33/98/960023398.db2.gz	SALBDYAYEMBEJJ-IWQZZHSRSA-N	-1	1	243.237	2.822	20	30		BFEDMM
C=C[C@@H](CCCCCCC)OCc1nn[n-]n1	ZINC001223026668	960937258	/nfs/dbraw/zinc/93/72/58/960937258.db2.gz	FLNFGLBAIUYYTF-NSHDSACASA-N	-1	1	238.335	2.631	20	30		BFEDMM
CC1(C)C[C@@H](Oc2cc([O-])ccc2C#N)CCO1	ZINC001228007409	963655458	/nfs/dbraw/zinc/65/54/58/963655458.db2.gz	PPNQNXDPVHSCMD-LBPRGKRZSA-N	-1	1	247.294	2.600	20	30		BFEDMM
C=CCN(CC=C)Cc1ccc(F)c([O-])c1F	ZINC001232934229	965438316	/nfs/dbraw/zinc/43/83/16/965438316.db2.gz	CGXXOLAVVDMZPY-UHFFFAOYSA-N	-1	1	239.265	2.844	20	30		BFEDMM
N#CCCCCc1cc(F)c([O-])cc1F	ZINC001250066771	967328029	/nfs/dbraw/zinc/32/80/29/967328029.db2.gz	QMNVZYMLFZRSOU-UHFFFAOYSA-N	-1	1	211.211	2.907	20	30		BFEDMM
N#Cc1ncccc1Nc1cccc([O-])c1F	ZINC001212546628	967863287	/nfs/dbraw/zinc/86/32/87/967863287.db2.gz	PQKJHGDCIBOTRG-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
Cn1c2ccccc2nc1-c1ccc(C#N)cc1[O-]	ZINC001251331911	968282453	/nfs/dbraw/zinc/28/24/53/968282453.db2.gz	BAMVLCQJEQTLML-UHFFFAOYSA-N	-1	1	249.273	2.818	20	30		BFEDMM
Cc1ccnc(C#N)c1Nc1cc([O-])cc(F)c1	ZINC001206798400	968481317	/nfs/dbraw/zinc/48/13/17/968481317.db2.gz	FKIYQMASUAQENN-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
N#Cc1cccc(O)c1Nc1cc([O-])cc(F)c1	ZINC001208125894	969020648	/nfs/dbraw/zinc/02/06/48/969020648.db2.gz	QPLPLFXXJOFBMT-UHFFFAOYSA-N	-1	1	244.225	2.852	20	30		BFEDMM
Cc1coc([N-]c2ncccc2F)c1C#N	ZINC001209806969	969630712	/nfs/dbraw/zinc/63/07/12/969630712.db2.gz	AQQNLUFQMXGBSP-UHFFFAOYSA-N	-1	1	217.203	2.737	20	30		BFEDMM
N#Cc1cccc(Nc2ccc(F)cc2[O-])n1	ZINC001210016349	969760579	/nfs/dbraw/zinc/76/05/79/969760579.db2.gz	KNNPUZJJNVDFRR-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
N#Cc1ncccc1Nc1ccc(F)c([O-])c1	ZINC001210147495	969814358	/nfs/dbraw/zinc/81/43/58/969814358.db2.gz	LRXNWAUJQLIQAC-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
Cc1nc(C#N)c(Nc2cccc(Cl)c2[O-])o1	ZINC001210218052	969835929	/nfs/dbraw/zinc/83/59/29/969835929.db2.gz	BIYMWPAGIMOMOC-UHFFFAOYSA-N	-1	1	249.657	2.957	20	30		BFEDMM
Cc1ccc(C#N)nc1-c1ccc([O-])c(C#N)c1	ZINC001242562586	970002456	/nfs/dbraw/zinc/00/24/56/970002456.db2.gz	FBRQIKBFRXRVIR-UHFFFAOYSA-N	-1	1	235.246	2.506	20	30		BFEDMM
Cc1nsc(Nc2ccc(F)c([O-])c2)c1C#N	ZINC001211213626	970171972	/nfs/dbraw/zinc/17/19/72/970171972.db2.gz	FTSCRRSHFBSGTM-UHFFFAOYSA-N	-1	1	249.270	2.912	20	30		BFEDMM
C=C(C)CO[N-]C(=O)C1(C)C(C)(C)C1(C)C	ZINC001144639788	972896232	/nfs/dbraw/zinc/89/62/32/972896232.db2.gz	CZAJTAIPYOBZTJ-UHFFFAOYSA-N	-1	1	225.332	2.683	20	30		BFEDMM
CC(=O)c1ccc([O-])cc1O[C@@H]1CC[C@H](C#N)C1	ZINC001225617010	974593791	/nfs/dbraw/zinc/59/37/91/974593791.db2.gz	SRIXVZXLTMWAEB-CMPLNLGQSA-N	-1	1	245.278	2.666	20	30		BFEDMM
CCC#C[C@H](C)Oc1cc([O-])ccc1C(C)=O	ZINC001225618625	974599249	/nfs/dbraw/zinc/59/92/49/974599249.db2.gz	GJECFHKYQNFJSY-JTQLQIEISA-N	-1	1	232.279	2.776	20	30		BFEDMM
CCC#C[C@@H](C)Oc1cccc(/C=N/[O-])c1	ZINC001226113842	974795229	/nfs/dbraw/zinc/79/52/29/974795229.db2.gz	ANCQOLHTUKXDQS-ZTMOJVSCSA-N	-1	1	217.268	2.675	20	30		BFEDMM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2cnc[n-]c2=O)C1	ZINC001227048233	975234083	/nfs/dbraw/zinc/23/40/83/975234083.db2.gz	AVXIWQCSRLPTKB-RYUDHWBXSA-N	-1	1	246.310	2.862	20	30		BFEDMM
C[C@@H](Oc1cc([O-])ccc1C#N)c1nccs1	ZINC001228006460	975845917	/nfs/dbraw/zinc/84/59/17/975845917.db2.gz	CBDWJLQUAFNXGK-MRVPVSSYSA-N	-1	1	246.291	2.860	20	30		BFEDMM
C=CC(C=C)Oc1cc([O-])cc(O)c1C(=O)CC	ZINC001228554471	976321758	/nfs/dbraw/zinc/32/17/58/976321758.db2.gz	JPVVAWXQDDWCML-UHFFFAOYSA-N	-1	1	248.278	2.810	20	30		BFEDMM
C=C[C@H](CC)Oc1cc([O-])cc2oc(=O)ccc12	ZINC001229136739	976767342	/nfs/dbraw/zinc/76/73/42/976767342.db2.gz	ZKEGENNXXKYIOA-SNVBAGLBSA-N	-1	1	246.262	2.842	20	30		BFEDMM
C#CC(C#C)Oc1cc([O-])c(Cl)cc1Cl	ZINC001229405931	976862122	/nfs/dbraw/zinc/86/21/22/976862122.db2.gz	DRJBHNJMIAZAKE-UHFFFAOYSA-N	-1	1	241.073	2.713	20	30		BFEDMM
CC#C[C@H](CC)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229753429	976979205	/nfs/dbraw/zinc/97/92/05/976979205.db2.gz	JFKBKOQMZICNHE-JTQLQIEISA-N	-1	1	249.266	2.790	20	30		BFEDMM
N#Cc1ccncc1Nc1c(F)ccc([O-])c1F	ZINC001175262527	977362165	/nfs/dbraw/zinc/36/21/65/977362165.db2.gz	IPUKSQGOQWOLNG-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
Cc1nc(C#N)cc(-c2cc([O-])cc(Cl)c2)n1	ZINC001235901565	979193430	/nfs/dbraw/zinc/19/34/30/979193430.db2.gz	WETGHLORUZJCKV-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
CCCCCNC(=O)Nc1ccc([O-])c(C#N)c1	ZINC001193326548	981291788	/nfs/dbraw/zinc/29/17/88/981291788.db2.gz	QTMCJMDNKUGBCY-UHFFFAOYSA-N	-1	1	247.298	2.576	20	30		BFEDMM
N#Cc1ccc(NC(=O)OC2CCCC2)c([O-])c1	ZINC001193565846	981372484	/nfs/dbraw/zinc/37/24/84/981372484.db2.gz	QFZVFNPGLUCELB-UHFFFAOYSA-N	-1	1	246.266	2.755	20	30		BFEDMM
N#CCc1cccnc1-c1cc(F)ccc1[O-]	ZINC001240693334	981600262	/nfs/dbraw/zinc/60/02/62/981600262.db2.gz	NQMLHECFZXNHAS-UHFFFAOYSA-N	-1	1	228.226	2.659	20	30		BFEDMM
Cc1nc(-c2cc(F)ccc2[O-])ccc1CC#N	ZINC001240695416	981603770	/nfs/dbraw/zinc/60/37/70/981603770.db2.gz	KOELWHDEJVZMTK-UHFFFAOYSA-N	-1	1	242.253	2.968	20	30		BFEDMM
CC(C)(C)COC(=O)Nc1ccc(C#N)cc1[O-]	ZINC001194384879	981793377	/nfs/dbraw/zinc/79/33/77/981793377.db2.gz	DSGQHNZJEYVJAQ-UHFFFAOYSA-N	-1	1	248.282	2.858	20	30		BFEDMM
CC[C@@H](C)COC(=O)Nc1ccc(C#N)cc1[O-]	ZINC001194805699	981904062	/nfs/dbraw/zinc/90/40/62/981904062.db2.gz	VPGOEDTWDZNIQC-SECBINFHSA-N	-1	1	248.282	2.858	20	30		BFEDMM
CC[C@H](C)COC(=O)Nc1ccc([O-])c(C#N)c1	ZINC001194807167	981906472	/nfs/dbraw/zinc/90/64/72/981906472.db2.gz	OZPCODMBHCVEEK-VIFPVBQESA-N	-1	1	248.282	2.858	20	30		BFEDMM
Cc1ccc(-c2ncc(C#N)cc2F)c([O-])c1	ZINC001241035689	982139287	/nfs/dbraw/zinc/13/92/87/982139287.db2.gz	CVXWLTVTEXSGSF-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#CCc1ccncc1-c1c(F)cc([O-])cc1F	ZINC001241122215	982247788	/nfs/dbraw/zinc/24/77/88/982247788.db2.gz	XGOXYOCUAVRQDU-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#CCc1ncccc1-c1c(F)cc([O-])cc1F	ZINC001241122186	982249833	/nfs/dbraw/zinc/24/98/33/982249833.db2.gz	WBOUSKPYHNSDHP-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1c(F)ccnc1-c1cc([O-])cc(F)c1	ZINC001241256047	982392845	/nfs/dbraw/zinc/39/28/45/982392845.db2.gz	LJGZOBQJUTVXAS-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1cnc(-c2cccc(C)c2[O-])c(C#N)c1	ZINC001242343511	983595598	/nfs/dbraw/zinc/59/55/98/983595598.db2.gz	VXILKZIYESMRQR-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
C=C(Cl)CN[C@H](C)c1cc(C(=O)[O-])cs1	ZINC001588643864	983767703	/nfs/dbraw/zinc/76/77/03/983767703.db2.gz	UXFAZVJSAPSMTN-SSDOTTSWSA-N	-1	1	245.731	2.849	20	30		BFEDMM
Cc1oncc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001242603744	983959953	/nfs/dbraw/zinc/95/99/53/983959953.db2.gz	MBRFATZQBDSHBV-WLRTZDKTSA-N	-1	1	220.203	2.597	20	30		BFEDMM
N#Cc1cc(F)cnc1-c1ccc(F)c([O-])c1	ZINC001243047964	984394091	/nfs/dbraw/zinc/39/40/91/984394091.db2.gz	IEEFGARUXZOFRH-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#Cc1ccc(-c2ccc(F)c([O-])c2)c(C#N)c1	ZINC001243051924	984414385	/nfs/dbraw/zinc/41/43/85/984414385.db2.gz	PQPQOPRRMVULPM-UHFFFAOYSA-N	-1	1	238.221	2.942	20	30		BFEDMM
Cc1nc(-c2cccc([O-])c2F)ccc1C#N	ZINC001243541013	985071022	/nfs/dbraw/zinc/07/10/22/985071022.db2.gz	CAVXOZKADDEKPN-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1cnccc1-c1ccc2c(c1)CC/C2=N/[O-]	ZINC001244335532	985980779	/nfs/dbraw/zinc/98/07/79/985980779.db2.gz	FHWIJSMATUTSBZ-SDXDJHTJSA-N	-1	1	249.273	2.745	20	30		BFEDMM
N#Cc1cc(-c2ccc(Cl)cc2[O-])ccn1	ZINC001244469111	986129503	/nfs/dbraw/zinc/12/95/03/986129503.db2.gz	AXKABJASVPSPFZ-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
Cc1cc(-c2cnc(F)c(C#N)c2)cc([O-])c1F	ZINC001244520867	986227202	/nfs/dbraw/zinc/22/72/02/986227202.db2.gz	NACJDLKPKZNPSA-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
C=C(C)Cn1[n-]c2c(c1=O)CCCCCC2	ZINC000634604131	343000859	/nfs/dbraw/zinc/00/08/59/343000859.db2.gz	WALNGUKXDZYUKS-LLVKDONJSA-N	-1	1	220.316	2.731	20	30		BFEDMM
C[C@@H](C#N)CN(C)Cc1cccc([O-])c1Cl	ZINC000295252689	136290453	/nfs/dbraw/zinc/29/04/53/136290453.db2.gz	GDCONTZVLHBDEH-VIFPVBQESA-N	-1	1	238.718	2.637	20	30		BFEDMM
C=CCN(Cc1csc(C(=O)[O-])c1)C1CC1	ZINC000577118261	365823385	/nfs/dbraw/zinc/82/33/85/365823385.db2.gz	WFLYMMWXDXBIBV-UHFFFAOYSA-N	-1	1	237.324	2.597	20	30		BFEDMM
CC[C@@H](C)N(CC)C(=O)c1cc([O-])cc(C#N)c1	ZINC000597857821	348828448	/nfs/dbraw/zinc/82/84/48/348828448.db2.gz	TZXJNODVJCWZAR-SNVBAGLBSA-N	-1	1	246.310	2.524	20	30		BFEDMM
C=CCCC[C@H](C)NC(=O)c1ncc(C)cc1[O-]	ZINC000428020202	191107191	/nfs/dbraw/zinc/10/71/91/191107191.db2.gz	HZWBVYVHPVDJGK-NSHDSACASA-N	-1	1	248.326	2.570	20	30		BFEDMM
C#CCCCC[NH2+]Cc1cccc([O-])c1Cl	ZINC000293436959	350882068	/nfs/dbraw/zinc/88/20/68/350882068.db2.gz	BRAICBNBFXZBKK-UHFFFAOYSA-N	-1	1	237.730	2.939	20	30		BFEDMM
CC[C@@H](CC#N)NCc1cccc([O-])c1Cl	ZINC000293697844	364767695	/nfs/dbraw/zinc/76/76/95/364767695.db2.gz	SVGFCGLOLGDPQX-JTQLQIEISA-N	-1	1	238.718	2.827	20	30		BFEDMM
N#Cc1ccc(/C=C/c2cc([O-])cc(F)c2)nc1	ZINC000184756772	367092352	/nfs/dbraw/zinc/09/23/52/367092352.db2.gz	IWJJISHLAQRYTR-HNQUOIGGSA-N	-1	1	240.237	2.968	20	30		BFEDMM
C=CC[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000116987748	384135786	/nfs/dbraw/zinc/13/57/86/384135786.db2.gz	RLBNJFMQWMONCY-MRVPVSSYSA-N	-1	1	239.702	2.740	20	30		BFEDMM
C=C1CCN(Cc2csc(C(=O)[O-])c2)CC1	ZINC000652410329	411232385	/nfs/dbraw/zinc/23/23/85/411232385.db2.gz	ZSLFKILZUNQIND-UHFFFAOYSA-N	-1	1	237.324	2.598	20	30		BFEDMM
C=CCCCC[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1	ZINC000660749740	411620664	/nfs/dbraw/zinc/62/06/64/411620664.db2.gz	OMIMIAXIHCPQNJ-UHFFFAOYSA-N	-1	1	249.358	2.672	20	30		BFEDMM
CCn1cc(/C=C/C(=O)c2ccc([O-])cc2)cn1	ZINC000033796143	172149856	/nfs/dbraw/zinc/14/98/56/172149856.db2.gz	BABRCLGPCUWNRA-FPYGCLRLSA-N	-1	1	242.278	2.505	20	30		BFEDMM
C=CCCCCSc1ncc(C)c(=O)[n-]1	ZINC000568649380	326371089	/nfs/dbraw/zinc/37/10/89/326371089.db2.gz	QMPRRFHBUROGLD-UHFFFAOYSA-N	-1	1	224.329	2.939	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@@H](C)c1ccc(CC)cc1	ZINC000856031288	588856561	/nfs/dbraw/zinc/85/65/61/588856561.db2.gz	KAMTUXNOTXIEQP-LBPRGKRZSA-N	-1	1	247.338	2.976	20	30		BFEDMM
[O-]c1ccc(C=NOCC2CC2)cc1Cl	ZINC000814243589	583349530	/nfs/dbraw/zinc/34/95/30/583349530.db2.gz	DYNNHDSWXIGFRU-UHFFFAOYSA-N	-1	1	225.675	2.806	20	30		BFEDMM
[O-]c1cccc(C=NNC23CC(C2)C3)c1Cl	ZINC000842544750	584903194	/nfs/dbraw/zinc/90/31/94/584903194.db2.gz	YWOLDEPSGDPAKB-UHFFFAOYSA-N	-1	1	236.702	2.522	20	30		BFEDMM
[O-]c1ccc(C=NOCC(F)F)cc1Cl	ZINC000758906192	584906217	/nfs/dbraw/zinc/90/62/17/584906217.db2.gz	CHBXOTWVWCVXNU-UHFFFAOYSA-N	-1	1	235.617	2.661	20	30		BFEDMM
CC[C@H](C)NN=C(C)c1ccc(F)cc1[O-]	ZINC000790182086	585257946	/nfs/dbraw/zinc/25/79/46/585257946.db2.gz	IMRJLENRSVVIKE-QMMMGPOBSA-N	-1	1	224.279	2.643	20	30		BFEDMM
N#CC(=C([O-])C1=CCCCCC1)c1ccncn1	ZINC000774415678	585658207	/nfs/dbraw/zinc/65/82/07/585658207.db2.gz	QZOKSZWTZKBRAU-LBPRGKRZSA-N	-1	1	241.294	2.543	20	30		BFEDMM
C[C@H](C#N)C[N@H+](Cc1cc(F)ccc1O)C1CC1	ZINC000779031772	585744216	/nfs/dbraw/zinc/74/42/16/585744216.db2.gz	HQCXETMAPKGPFL-SNVBAGLBSA-N	-1	1	248.301	2.655	20	30		BFEDMM
O=C1c2ccc([O-])cc2C/C1=C\c1nccs1	ZINC000780188722	585773525	/nfs/dbraw/zinc/77/35/25/585773525.db2.gz	WTKIIYCMWPDPFB-VQHVLOKHSA-N	-1	1	243.287	2.671	20	30		BFEDMM
O=C1c2ccc([O-])cc2C/C1=C/c1nccs1	ZINC000780188721	585773590	/nfs/dbraw/zinc/77/35/90/585773590.db2.gz	WTKIIYCMWPDPFB-CLFYSBASSA-N	-1	1	243.287	2.671	20	30		BFEDMM
CC[C@@H](C)NN=Cc1ccc([O-])c(Cl)c1	ZINC000790181622	585958887	/nfs/dbraw/zinc/95/88/87/585958887.db2.gz	FTEILYSUUAZQAG-MRVPVSSYSA-N	-1	1	226.707	2.768	20	30		BFEDMM
CCCON=Cc1ccc([O-])c(Cl)c1	ZINC000842558534	586490693	/nfs/dbraw/zinc/49/06/93/586490693.db2.gz	YKYVHOIJHACVPX-UHFFFAOYSA-N	-1	1	213.664	2.806	20	30		BFEDMM
CC(=NOCC1CC1)c1ccc(F)cc1[O-]	ZINC000814242013	586619480	/nfs/dbraw/zinc/61/94/80/586619480.db2.gz	REMDZZUXDCGJOR-UHFFFAOYSA-N	-1	1	223.247	2.682	20	30		BFEDMM
CC[C@H](C)NN=Cc1cc(Cl)c(F)cc1[O-]	ZINC000814913524	586649624	/nfs/dbraw/zinc/64/96/24/586649624.db2.gz	OSVFPFYMOGDJSS-ZETCQYMHSA-N	-1	1	244.697	2.907	20	30		BFEDMM
C=C(C)CO[N-]C(=O)[C@H](C)c1ccccc1C	ZINC000824028706	587249318	/nfs/dbraw/zinc/24/93/18/587249318.db2.gz	QBVQNVOAFYQCMV-GFCCVEGCSA-N	-1	1	233.311	2.722	20	30		BFEDMM
C=C(C)CON=C(C)c1ccc([O-])c(F)c1	ZINC000844617917	588208289	/nfs/dbraw/zinc/20/82/89/588208289.db2.gz	WCTSEDMUUHDHDT-UHFFFAOYSA-N	-1	1	223.247	2.848	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)c1cccc(F)c1	ZINC000846545530	588273877	/nfs/dbraw/zinc/27/38/77/588273877.db2.gz	HEHQHWLGOLYYEF-UWVGGRQHSA-N	-1	1	237.274	2.552	20	30		BFEDMM
C=C(C)COC(=O)Cc1ccc([O-])c(Cl)c1	ZINC000869736788	589625720	/nfs/dbraw/zinc/62/57/20/589625720.db2.gz	PYAGPKWECXXWQK-UHFFFAOYSA-N	-1	1	240.686	2.707	20	30		BFEDMM
N#Cc1cccc(O[N-]C(=O)C2CCCCC2)c1	ZINC000870693926	589684942	/nfs/dbraw/zinc/68/49/42/589684942.db2.gz	YTQJQAPTXHQTNT-UHFFFAOYSA-N	-1	1	244.294	2.549	20	30		BFEDMM
CCn1nccc1/C=C\C(=O)c1ccc([O-])cc1	ZINC000210499738	590889785	/nfs/dbraw/zinc/88/97/85/590889785.db2.gz	OTYNIIJGYZOBLV-YVMONPNESA-N	-1	1	242.278	2.505	20	30		BFEDMM
C=CC[C@H](C)Sc1nc(CC)cc(=O)[n-]1	ZINC000882159181	591308494	/nfs/dbraw/zinc/30/84/94/591308494.db2.gz	SWUPYLXVKGERGP-QMMMGPOBSA-N	-1	1	224.329	2.801	20	30		BFEDMM
O=C(/C=C\c1cncs1)c1ccc([O-])cc1	ZINC000255778706	632738145	/nfs/dbraw/zinc/73/81/45/632738145.db2.gz	UJAHOZKOAMJSBD-WAYWQWQTSA-N	-1	1	231.276	2.745	20	30		BFEDMM
Cc1noc(C)c1/C=C/C(=O)c1ccc([O-])cc1	ZINC000008129829	636650161	/nfs/dbraw/zinc/65/01/61/636650161.db2.gz	WJXRQWXPFBLJAL-BQYQJAHWSA-N	-1	1	243.262	2.893	20	30		BFEDMM
CC(C)(C)n1cc(-c2ccc(C#N)cc2[O-])cn1	ZINC000906184336	638092445	/nfs/dbraw/zinc/09/24/45/638092445.db2.gz	IPKAFGLEYHEJMR-UHFFFAOYSA-N	-1	1	241.294	2.882	20	30		BFEDMM
CCn1nccc1/C=C/C(=O)c1ccc([O-])cc1	ZINC000152590044	641621481	/nfs/dbraw/zinc/62/14/81/641621481.db2.gz	OTYNIIJGYZOBLV-VMPITWQZSA-N	-1	1	242.278	2.505	20	30		BFEDMM
O=C(/C=C\c1ccccc1)c1cc(O)ccc1[O-]	ZINC000033642326	642273841	/nfs/dbraw/zinc/27/38/41/642273841.db2.gz	PZVRZRARFZZBCA-VURMDHGXSA-N	-1	1	240.258	2.994	20	30		BFEDMM
C=CC[C@H](C)NC(=O)c1c([O-])cccc1Cl	ZINC000735124291	643526929	/nfs/dbraw/zinc/52/69/29/643526929.db2.gz	BYOOZYSBZBXAMI-QMMMGPOBSA-N	-1	1	239.702	2.740	20	30		BFEDMM
C=C(Cl)CNC(=O)c1c([O-])cccc1Cl	ZINC000736687637	643605397	/nfs/dbraw/zinc/60/53/97/643605397.db2.gz	BQLPYANTBFKHNB-UHFFFAOYSA-N	-1	1	246.093	2.528	20	30		BFEDMM
C#C[C@@H](CCC)Oc1nc2sccc2[n-]1	ZINC001234846942	978913188	/nfs/dbraw/zinc/91/31/88/978913188.db2.gz	FGSQRBOLGDQCGY-QMMMGPOBSA-N	-1	1	220.297	2.805	20	30		BFEDMM
N#Cc1ccnc(Nc2cc(F)c([O-])cc2F)c1	ZINC001215569770	970788374	/nfs/dbraw/zinc/78/83/74/970788374.db2.gz	HMXQVGRYZAUYPW-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
Cc1noc(Nc2cc(C)c(F)c([O-])c2)c1C#N	ZINC001216077495	970926457	/nfs/dbraw/zinc/92/64/57/970926457.db2.gz	KDVGQHSMYLGIGG-UHFFFAOYSA-N	-1	1	247.229	2.751	20	30		BFEDMM
N#Cc1cnccc1-c1ccc([O-])cc1Cl	ZINC001245083439	971634618	/nfs/dbraw/zinc/63/46/18/971634618.db2.gz	POFPJYITOOKSBE-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
N#Cc1cc(O)ccc1Nc1ccc(F)c([O-])c1	ZINC001211220395	958074430	/nfs/dbraw/zinc/07/44/30/958074430.db2.gz	GQLCARFWMFHMEH-UHFFFAOYSA-N	-1	1	244.225	2.852	20	30		BFEDMM
C=CCN(CC=C)Cc1ccc([O-])c(F)c1F	ZINC001140893916	960680891	/nfs/dbraw/zinc/68/08/91/960680891.db2.gz	LHOOKKSCNJLRPN-UHFFFAOYSA-N	-1	1	239.265	2.844	20	30		BFEDMM
CCCCCCC[C@@H](CC)OCc1nn[n-]n1	ZINC001223026735	960933047	/nfs/dbraw/zinc/93/30/47/960933047.db2.gz	HLQDLINFLGPSEE-LLVKDONJSA-N	-1	1	240.351	2.855	20	30		BFEDMM
CCCCCCCC[C@@H](C)OCc1nn[n-]n1	ZINC001223027006	960941098	/nfs/dbraw/zinc/94/10/98/960941098.db2.gz	LJSBEHDKWIRWRA-LLVKDONJSA-N	-1	1	240.351	2.855	20	30		BFEDMM
Cc1nsc(Nc2cccc([O-])c2F)c1C#N	ZINC001212545793	967859708	/nfs/dbraw/zinc/85/97/08/967859708.db2.gz	PEICBIDYTDWEHG-UHFFFAOYSA-N	-1	1	249.270	2.912	20	30		BFEDMM
N#Cc1cc(-c2ccnc3ccncc32)ccc1[O-]	ZINC001250503888	967995562	/nfs/dbraw/zinc/99/55/62/967995562.db2.gz	NDUKFTCHGJQMPC-UHFFFAOYSA-N	-1	1	247.257	2.874	20	30		BFEDMM
Cc1ccnc(C#N)c1-c1ccc([O-])cc1F	ZINC001206088601	968056367	/nfs/dbraw/zinc/05/63/67/968056367.db2.gz	OUVAPRLFNACRGD-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1cnc(C#N)c(Nc2cc([O-])cc(F)c2)c1	ZINC001206766760	968460485	/nfs/dbraw/zinc/46/04/85/968460485.db2.gz	LTNPQWYFOGAOBH-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
C=C[C@@](C)(O)CNc1cc([O-])c(Cl)cc1F	ZINC001252565621	968816316	/nfs/dbraw/zinc/81/63/16/968816316.db2.gz	VAIHSQOLSACFKR-LLVKDONJSA-N	-1	1	245.681	2.534	20	30		BFEDMM
C=C[C@](C)(O)CNc1cc([O-])c(Cl)cc1F	ZINC001252565622	968816757	/nfs/dbraw/zinc/81/67/57/968816757.db2.gz	VAIHSQOLSACFKR-NSHDSACASA-N	-1	1	245.681	2.534	20	30		BFEDMM
Cc1nsc([N-]c2ncccc2F)c1C#N	ZINC001209805323	969631990	/nfs/dbraw/zinc/63/19/90/969631990.db2.gz	RRODVNRCBMNQTG-UHFFFAOYSA-N	-1	1	234.259	2.601	20	30		BFEDMM
N#Cc1cncc(Nc2cc(F)c([O-])cc2F)c1	ZINC001210089830	969795447	/nfs/dbraw/zinc/79/54/47/969795447.db2.gz	WWACRXIIGJJYQZ-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
N#CCc1cncc(-c2cc(F)c([O-])cc2F)c1	ZINC001211350127	970246289	/nfs/dbraw/zinc/24/62/89/970246289.db2.gz	MSFZJYXFIIOIBD-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
C#CCC1(C(=O)[N-]OC(C)(C)C)CCCCC1	ZINC001255631991	970405084	/nfs/dbraw/zinc/40/50/84/970405084.db2.gz	CEYAFNPQLWUVLL-UHFFFAOYSA-N	-1	1	237.343	2.807	20	30		BFEDMM
CC(C)O/C(=N\[O-])c1ccc(Cl)cc1	ZINC001223596243	973182772	/nfs/dbraw/zinc/18/27/72/973182772.db2.gz	LCSKZWZWFNJZOJ-BENRWUELSA-N	-1	1	213.664	2.901	20	30		BFEDMM
CC#C[C@@H](CC)Oc1cc([O-])ccc1C(C)=O	ZINC001225619452	974598726	/nfs/dbraw/zinc/59/87/26/974598726.db2.gz	VWAFPHJINROLPK-GFCCVEGCSA-N	-1	1	232.279	2.776	20	30		BFEDMM
C=C[C@@H](CC)Oc1cc([O-])cc(O)c1C(C)=O	ZINC001225679615	974641575	/nfs/dbraw/zinc/64/15/75/974641575.db2.gz	QQQHXSQNOBMMDM-JTQLQIEISA-N	-1	1	236.267	2.644	20	30		BFEDMM
C=C[C@H](CCCCC)Oc1cnc[n-]c1=O	ZINC001227048350	975235378	/nfs/dbraw/zinc/23/53/78/975235378.db2.gz	DASXNOHMZZHBMQ-SNVBAGLBSA-N	-1	1	222.288	2.696	20	30		BFEDMM
C#C[C@H](C)Oc1c(C(C)=O)ccc([O-])c1CC=C	ZINC001227120231	975285935	/nfs/dbraw/zinc/28/59/35/975285935.db2.gz	IKCHTDUHXPFWNI-JTQLQIEISA-N	-1	1	244.290	2.724	20	30		BFEDMM
C=CC[C@@H](C=C)Oc1ccc([O-])c(C#N)c1C#N	ZINC001227623976	975583520	/nfs/dbraw/zinc/58/35/20/975583520.db2.gz	WHUAOXIAWNCBKH-SNVBAGLBSA-N	-1	1	240.262	2.645	20	30		BFEDMM
C[C@H](Oc1cc([O-])ccc1C#N)C1CCC1	ZINC001228004723	975848484	/nfs/dbraw/zinc/84/84/84/975848484.db2.gz	DXRBKADWBOYXPE-VIFPVBQESA-N	-1	1	217.268	2.831	20	30		BFEDMM
Cc1nnc([N-]c2ccc(Cl)c(C#N)c2)o1	ZINC001174400730	976596617	/nfs/dbraw/zinc/59/66/17/976596617.db2.gz	OBEMKXQLHCMJQV-UHFFFAOYSA-N	-1	1	234.646	2.647	20	30		BFEDMM
CCC#C[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229753419	976980887	/nfs/dbraw/zinc/98/08/87/976980887.db2.gz	JBIHCPYRUHOMTH-JTQLQIEISA-N	-1	1	249.266	2.790	20	30		BFEDMM
C#CC[C@@H](CC)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229754102	976981328	/nfs/dbraw/zinc/98/13/28/976981328.db2.gz	MGRMFPDEYMGLDJ-SNVBAGLBSA-N	-1	1	249.266	2.790	20	30		BFEDMM
CCN(CCC#N)Cc1ccc(Cl)c([O-])c1	ZINC001231733787	977718451	/nfs/dbraw/zinc/71/84/51/977718451.db2.gz	HHPMLKOGPXXUSX-UHFFFAOYSA-N	-1	1	238.718	2.781	20	30		BFEDMM
[O-]N=Cc1ccccc1O[C@H]1C[C@H]2C=C[C@@H]1C2	ZINC001234818604	978903413	/nfs/dbraw/zinc/90/34/13/978903413.db2.gz	BZOGRVFNPZNRJS-WDMOLILDSA-N	-1	1	229.279	2.838	20	30		BFEDMM
COC1=CC[C@@H](Oc2ccccc2C=N[O-])CC1	ZINC001234819724	978906715	/nfs/dbraw/zinc/90/67/15/978906715.db2.gz	OHERFMZWARVMGZ-CYBMUJFWSA-N	-1	1	247.294	2.956	20	30		BFEDMM
[O-]N=Cc1ccccc1O[C@@H]1C=CCCC1	ZINC001234819631	978908807	/nfs/dbraw/zinc/90/88/07/978908807.db2.gz	NBVVTLQGGVKREB-GFCCVEGCSA-N	-1	1	217.268	2.982	20	30		BFEDMM
[O-]N=Cc1ccccc1O[C@@H]1C[C@H]2C[C@H]2C1	ZINC001234819239	978908904	/nfs/dbraw/zinc/90/89/04/978908904.db2.gz	IRCLUIDHOWMFKA-ZSBIGDGJSA-N	-1	1	217.268	2.672	20	30		BFEDMM
N#C[C@@H]1CC[C@@H](Oc2ccccc2C=N[O-])C1	ZINC001234822855	978910929	/nfs/dbraw/zinc/91/09/29/978910929.db2.gz	PPZNSSLPGYGVQG-ZYHUDNBSSA-N	-1	1	230.267	2.566	20	30		BFEDMM
N#Cc1ccnc(-c2cc([O-])cc(Cl)c2)c1	ZINC001235899281	979174280	/nfs/dbraw/zinc/17/42/80/979174280.db2.gz	HZEJJYNUAQUVQO-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
N#Cc1cc(-c2cncc([O-])c2)nc2ccccc12	ZINC001236577496	979650010	/nfs/dbraw/zinc/65/00/10/979650010.db2.gz	INNNJTQLUGUJOX-UHFFFAOYSA-N	-1	1	247.257	2.874	20	30		BFEDMM
C[C@@H](C#N)N(C)Cc1cc(F)c(Cl)cc1[O-]	ZINC001237939418	980114581	/nfs/dbraw/zinc/11/45/81/980114581.db2.gz	CEKQZFAQCLZACH-ZETCQYMHSA-N	-1	1	242.681	2.529	20	30		BFEDMM
N#CCc1ccnc(-c2cc(F)ccc2[O-])c1	ZINC001240694259	981600437	/nfs/dbraw/zinc/60/04/37/981600437.db2.gz	TVXJDLLMUJHTOB-UHFFFAOYSA-N	-1	1	228.226	2.659	20	30		BFEDMM
Cc1ccc(CC#N)c(-c2cc(F)ccc2[O-])n1	ZINC001240695414	981604927	/nfs/dbraw/zinc/60/49/27/981604927.db2.gz	KMNSTEUXLAIYFM-UHFFFAOYSA-N	-1	1	242.253	2.968	20	30		BFEDMM
N#Cc1ccc(-c2c(F)ccc([O-])c2F)cn1	ZINC001241292939	982434804	/nfs/dbraw/zinc/43/48/04/982434804.db2.gz	OHJBFMCVPGMJDS-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
COc1ccncc1-c1cc(/C=N/[O-])ccc1F	ZINC001242058127	983267219	/nfs/dbraw/zinc/26/72/19/983267219.db2.gz	OAGIKVONTDROCQ-FRKPEAEDSA-N	-1	1	246.241	2.704	20	30		BFEDMM
Cc1ncc(-c2ccc(/C=N/[O-])c(F)c2)cc1N	ZINC001242413571	983724491	/nfs/dbraw/zinc/72/44/91/983724491.db2.gz	ZMDFAOVHQJYILR-REZTVBANSA-N	-1	1	245.257	2.586	20	30		BFEDMM
C=C(Cl)CN[C@@H](C)c1cc(C(=O)[O-])cs1	ZINC001588643865	983767602	/nfs/dbraw/zinc/76/76/02/983767602.db2.gz	UXFAZVJSAPSMTN-ZETCQYMHSA-N	-1	1	245.731	2.849	20	30		BFEDMM
Cc1cc(-c2ccc([O-])c(C#N)c2)cc(F)n1	ZINC001242564355	983871027	/nfs/dbraw/zinc/87/10/27/983871027.db2.gz	YZRGOESUXFIZNE-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
CCCc1cnc(-c2ccc([O-])c(C#N)c2)nc1	ZINC001242562321	983884344	/nfs/dbraw/zinc/88/43/44/983884344.db2.gz	SDEHULIYSOADNY-UHFFFAOYSA-N	-1	1	239.278	2.673	20	30		BFEDMM
Cc1cc(C)c(-c2ccc([O-])c(C#N)c2)cn1	ZINC001242564909	983885141	/nfs/dbraw/zinc/88/51/41/983885141.db2.gz	ARDAGVUXUDRAIM-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
N#Cc1cc(-c2cccc([O-])c2F)cnc1F	ZINC001243546676	985094240	/nfs/dbraw/zinc/09/42/40/985094240.db2.gz	CFJGZGBBYOUZMI-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#CCc1nccnc1-c1ccc(Cl)c([O-])c1	ZINC001243577061	985132987	/nfs/dbraw/zinc/13/29/87/985132987.db2.gz	RVEDQLBCBOLNMN-UHFFFAOYSA-N	-1	1	245.669	2.569	20	30		BFEDMM
COc1cc(-c2cc(C)ccc2[O-])ncc1C#N	ZINC001244402542	986065706	/nfs/dbraw/zinc/06/57/06/986065706.db2.gz	VSDUPGBAKLBSPP-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
Cc1ccc([O-])c(-c2ncc(C#N)cc2F)c1	ZINC001244402330	986067042	/nfs/dbraw/zinc/06/70/42/986067042.db2.gz	CYMUUPBPHSGCEJ-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
COc1cnc(-c2cc(C)ccc2[O-])c(C#N)c1	ZINC001244401799	986067454	/nfs/dbraw/zinc/06/74/54/986067454.db2.gz	JUPCBVIZKWMLLD-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
Cc1cc(-c2ccc(C#N)c(F)n2)cc([O-])c1F	ZINC001244508051	986218965	/nfs/dbraw/zinc/21/89/65/986218965.db2.gz	SRBZESMLNJBITN-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2cc(C)cc(C)c2)[n-]1	ZINC001245951319	987231703	/nfs/dbraw/zinc/23/17/03/987231703.db2.gz	CQIFPZAEKKFZHI-UHFFFAOYSA-N	-1	1	240.306	2.761	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2cccc(Cl)c2)[n-]1	ZINC001245951660	987236285	/nfs/dbraw/zinc/23/62/85/987236285.db2.gz	GFKKRFBHGAKNOW-UHFFFAOYSA-N	-1	1	246.697	2.797	20	30		BFEDMM
C=C1CCN(Cc2ccc([O-])c(F)c2F)CC1	ZINC001560654541	991543376	/nfs/dbraw/zinc/54/33/76/991543376.db2.gz	RSLQFGXGRMMTST-UHFFFAOYSA-N	-1	1	239.265	2.822	20	30		BFEDMM
C=C(C)Cn1[n-]c2c(c1=O)C[C@@H](C(C)C)CC2	ZINC000634603668	342996345	/nfs/dbraw/zinc/99/63/45/342996345.db2.gz	GONJILBCESAMKT-NWDGAFQWSA-N	-1	1	234.343	2.833	20	30		BFEDMM
Cc1nc(SCCCC#N)[n-]c(=O)c1C1CC1	ZINC000601088710	346018005	/nfs/dbraw/zinc/01/80/05/346018005.db2.gz	YZTNCINZWKPKBA-UHFFFAOYSA-N	-1	1	249.339	2.764	20	30		BFEDMM
CCC[C@@H](CC)NC(=O)c1cc([O-])cc(C#N)c1	ZINC000589173350	346668746	/nfs/dbraw/zinc/66/87/46/346668746.db2.gz	ZTHJXBLZECBDFE-GFCCVEGCSA-N	-1	1	246.310	2.572	20	30		BFEDMM
N#CCCCCC(=O)Nc1c([O-])cccc1F	ZINC000594336336	348035430	/nfs/dbraw/zinc/03/54/30/348035430.db2.gz	SLAGZYKDWLPCDQ-UHFFFAOYSA-N	-1	1	236.246	2.554	20	30		BFEDMM
C[C@@H](N=c1[n-]c(C#N)c(Cl)s1)C1CCC1	ZINC000596175880	348462252	/nfs/dbraw/zinc/46/22/52/348462252.db2.gz	WKYVHKOMOBHUIF-ZCFIWIBFSA-N	-1	1	241.747	2.691	20	30		BFEDMM
CC[C@@H](N=c1[n-]c(C#N)c(Cl)s1)C1CC1	ZINC000596485311	348558537	/nfs/dbraw/zinc/55/85/37/348558537.db2.gz	GJUXODJTOLYPOD-SSDOTTSWSA-N	-1	1	241.747	2.691	20	30		BFEDMM
CC[C@H](C)N(CC)C(=O)c1ccc(C#N)c([O-])c1	ZINC000597855904	348826995	/nfs/dbraw/zinc/82/69/95/348826995.db2.gz	MFBGBLAXZOEVRP-JTQLQIEISA-N	-1	1	246.310	2.524	20	30		BFEDMM
C=CCN(CC=C)Cc1ccc(C(=O)[O-])s1	ZINC000071026440	350081119	/nfs/dbraw/zinc/08/11/19/350081119.db2.gz	LQKKTYZVQVAUSE-UHFFFAOYSA-N	-1	1	237.324	2.620	20	30		BFEDMM
C=CCCC[C@@H](C)NC(=O)c1ncc(C)cc1[O-]	ZINC000428020201	191107814	/nfs/dbraw/zinc/10/78/14/191107814.db2.gz	HZWBVYVHPVDJGK-LLVKDONJSA-N	-1	1	248.326	2.570	20	30		BFEDMM
C=CCCCCNC(=O)c1ccc([O-])cc1F	ZINC000274707340	188092824	/nfs/dbraw/zinc/09/28/24/188092824.db2.gz	PFPJOMMWYSMNNV-UHFFFAOYSA-N	-1	1	237.274	2.617	20	30		BFEDMM
Cc1cnc(C(=O)N[C@H]2C=CCCC2)c([O-])c1	ZINC000330890632	353198950	/nfs/dbraw/zinc/19/89/50/353198950.db2.gz	WJMMPYMSKBRJIU-JTQLQIEISA-N	-1	1	232.283	2.509	20	30		BFEDMM
CCCN(CCC)C(=O)c1cc([O-])cc(C#N)c1	ZINC000614294048	363783173	/nfs/dbraw/zinc/78/31/73/363783173.db2.gz	NJEKBBNYNUTOGH-UHFFFAOYSA-N	-1	1	246.310	2.526	20	30		BFEDMM
C=C1CCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)CC1	ZINC000581493663	367523116	/nfs/dbraw/zinc/52/31/16/367523116.db2.gz	CJXJJNLRALQSJP-JTQLQIEISA-N	-1	1	249.310	2.999	20	30		BFEDMM
CCc1cc(=O)[n-]c(S[C@@H]2CC[C@H](C#N)C2)n1	ZINC000336257122	387088436	/nfs/dbraw/zinc/08/84/36/387088436.db2.gz	FNHUAXRXEBZNMM-WCBMZHEXSA-N	-1	1	249.339	2.529	20	30		BFEDMM
C=CCCCC(=O)Nc1ccc([O-])c(F)c1F	ZINC000456780947	388221100	/nfs/dbraw/zinc/22/11/00/388221100.db2.gz	JGRDACVWXDSHHO-UHFFFAOYSA-N	-1	1	241.237	2.965	20	30		BFEDMM
C=C[C@H](C)NC(=O)c1cc2ccccc2cc1[O-]	ZINC000123517031	388654639	/nfs/dbraw/zinc/65/46/39/388654639.db2.gz	BHMQVTVVQYGSAP-JTQLQIEISA-N	-1	1	241.290	2.850	20	30		BFEDMM
CCN(CCC#N)Cc1cccc([O-])c1Cl	ZINC000294891276	135187665	/nfs/dbraw/zinc/18/76/65/135187665.db2.gz	LRKBEYZQFWRLTQ-UHFFFAOYSA-N	-1	1	238.718	2.781	20	30		BFEDMM
COc1cccc(-c2ccc([O-])c(C#N)c2)c1	ZINC000065341343	175234514	/nfs/dbraw/zinc/23/45/14/175234514.db2.gz	KAMDYBFXJARQST-UHFFFAOYSA-N	-1	1	225.247	2.939	20	30		BFEDMM
C=C(C)CSc1nc(CC)c(C)c(=O)[n-]1	ZINC000566926997	326095089	/nfs/dbraw/zinc/09/50/89/326095089.db2.gz	SFNUVLDILHVKSE-UHFFFAOYSA-N	-1	1	224.329	2.721	20	30		BFEDMM
C=CCN(Cc1cc(C(=O)[O-])oc1CC)C1CC1	ZINC000567905661	326280582	/nfs/dbraw/zinc/28/05/82/326280582.db2.gz	LAVFJHWPSDEDMC-UHFFFAOYSA-N	-1	1	249.310	2.691	20	30		BFEDMM
CC#CCCSc1nc(C(F)F)cc(=O)[n-]1	ZINC000568918883	326382513	/nfs/dbraw/zinc/38/25/13/326382513.db2.gz	OLRHQYAXSXPSQI-UHFFFAOYSA-N	-1	1	244.266	2.625	20	30		BFEDMM
C=CCCCN(CC)C(=O)c1ncc(C)cc1[O-]	ZINC000890812221	582573326	/nfs/dbraw/zinc/57/33/26/582573326.db2.gz	HLSYKGSJVUFSSO-UHFFFAOYSA-N	-1	1	248.326	2.524	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)c1cccc(C)c1	ZINC000846546521	582656350	/nfs/dbraw/zinc/65/63/50/582656350.db2.gz	WHTDGDYJPNDAKN-RYUDHWBXSA-N	-1	1	233.311	2.721	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@@H](C)c1ccccc1F	ZINC000856032005	588856456	/nfs/dbraw/zinc/85/64/56/588856456.db2.gz	GXJQXQRZZSDLJX-JTQLQIEISA-N	-1	1	237.274	2.553	20	30		BFEDMM
C#CCc1c(C)[n-]n(C2CCC(C)(C)CC2)c1=O	ZINC000899357164	584205796	/nfs/dbraw/zinc/20/57/96/584205796.db2.gz	DMRVGXDJRSSXEZ-ZDUSSCGKSA-N	-1	1	246.354	2.813	20	30		BFEDMM
C=CC(C)(C)CCNc1cc(Cl)[n-]c(=O)n1	ZINC000858654539	588973136	/nfs/dbraw/zinc/97/31/36/588973136.db2.gz	QLEXCCJPSBFXFA-UHFFFAOYSA-N	-1	1	241.722	2.850	20	30		BFEDMM
Cc1ccc(F)c([O-])c1C=NOC1CCC1	ZINC000901244006	584407306	/nfs/dbraw/zinc/40/73/06/584407306.db2.gz	OJFJMGVSAIUQPK-UHFFFAOYSA-N	-1	1	223.247	2.743	20	30		BFEDMM
C=C(C)CN(C)Cc1cc(C(=O)[O-])c(CC)o1	ZINC000902491462	584618258	/nfs/dbraw/zinc/61/82/58/584618258.db2.gz	YQKAPFWQKCIURM-UHFFFAOYSA-N	-1	1	237.299	2.548	20	30		BFEDMM
CC(C)[C@H](F)C(=O)N([O-])Cc1ccc(F)cc1	ZINC000904172959	584845958	/nfs/dbraw/zinc/84/59/58/584845958.db2.gz	FFUMQQFYBLULQC-NSHDSACASA-N	-1	1	243.253	2.538	20	30		BFEDMM
CCON=C(CC)c1ccc([O-])c(F)c1	ZINC000764676891	585470763	/nfs/dbraw/zinc/47/07/63/585470763.db2.gz	VBTCPPBAUYDUCE-UHFFFAOYSA-N	-1	1	211.236	2.682	20	30		BFEDMM
CC(=NNC1CC1)c1ccc([O-])c(Cl)c1	ZINC000768782074	585543427	/nfs/dbraw/zinc/54/34/27/585543427.db2.gz	UFYQUKGENDVVMD-UHFFFAOYSA-N	-1	1	224.691	2.522	20	30		BFEDMM
[O-]c1c(F)cccc1C=NNc1ccnc(F)c1	ZINC000781133632	585791311	/nfs/dbraw/zinc/79/13/11/585791311.db2.gz	YZMNVPOXUOTMLG-UHFFFAOYSA-N	-1	1	249.220	2.511	20	30		BFEDMM
CC[C@@H](C)NN=Cc1c([O-])ccc(Cl)c1F	ZINC000790183490	585959999	/nfs/dbraw/zinc/95/99/99/585959999.db2.gz	SOVXUQNSMQGTPM-SSDOTTSWSA-N	-1	1	244.697	2.907	20	30		BFEDMM
[O-]c1ccc(F)c(C=NOC/C=C\Cl)c1F	ZINC000811669713	586565427	/nfs/dbraw/zinc/56/54/27/586565427.db2.gz	SLWXNPFSMFJPAD-BHCMBYFYSA-N	-1	1	247.628	2.773	20	30		BFEDMM
C=C(C)CNN=Cc1cc(Cl)c(F)cc1[O-]	ZINC000814932861	586653764	/nfs/dbraw/zinc/65/37/64/586653764.db2.gz	VQASUBHUSQOGAW-UHFFFAOYSA-N	-1	1	242.681	2.684	20	30		BFEDMM
C=CCC(F)(F)C(=O)[N-][C@@H](CC)C(F)(F)F	ZINC000816409173	586725315	/nfs/dbraw/zinc/72/53/15/586725315.db2.gz	COPFPGJPEIWJPY-LURJTMIESA-N	-1	1	245.191	2.655	20	30		BFEDMM
C=CCO[N-]C(=O)[C@H](C)c1cccc(Cl)c1	ZINC000837047749	587850884	/nfs/dbraw/zinc/85/08/84/587850884.db2.gz	IKMKBOWUWPJNJV-SECBINFHSA-N	-1	1	239.702	2.677	20	30		BFEDMM
C=CCO[N-]C(=O)[C@@H](C)c1ccc(Cl)cc1	ZINC000846248967	588262877	/nfs/dbraw/zinc/26/28/77/588262877.db2.gz	JXVNJMXGPVWQKE-VIFPVBQESA-N	-1	1	239.702	2.677	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)c1cccc(F)c1	ZINC000846545532	588273815	/nfs/dbraw/zinc/27/38/15/588273815.db2.gz	HEHQHWLGOLYYEF-ZJUUUORDSA-N	-1	1	237.274	2.552	20	30		BFEDMM
CC[C@@H](C)CON=c1cc(C#N)[n-]c(C2CC2)n1	ZINC000865827082	589463643	/nfs/dbraw/zinc/46/36/43/589463643.db2.gz	RTIMMWWROWTKJK-SECBINFHSA-N	-1	1	246.314	2.615	20	30		BFEDMM
C[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)C(C)(C)C	ZINC000870692842	589684641	/nfs/dbraw/zinc/68/46/41/589684641.db2.gz	OQMUMDBQRSXEDH-JTQLQIEISA-N	-1	1	246.310	2.650	20	30		BFEDMM
[O-]c1ccc(C=NNC2CCCC2)c(F)c1F	ZINC000884426579	591930989	/nfs/dbraw/zinc/93/09/89/591930989.db2.gz	QHMKUWAWMUIMIO-UHFFFAOYSA-N	-1	1	240.253	2.537	20	30		BFEDMM
CC(=NOCC(F)F)c1c([O-])cccc1F	ZINC000884450145	591938521	/nfs/dbraw/zinc/93/85/21/591938521.db2.gz	YXAGMXVOIZJZDX-UHFFFAOYSA-N	-1	1	233.189	2.537	20	30		BFEDMM
C=C[C@H]1CCCCN1Cc1ccc(C(=O)[O-])o1	ZINC000902545512	637308893	/nfs/dbraw/zinc/30/88/93/637308893.db2.gz	YBHHWDQMHCPOAP-JTQLQIEISA-N	-1	1	235.283	2.518	20	30		BFEDMM
C=C(C)CO[N-]C(=O)Cc1sc(C)cc1C	ZINC000911901258	639862598	/nfs/dbraw/zinc/86/25/98/639862598.db2.gz	FLZPZPICWLLVDK-UHFFFAOYSA-N	-1	1	239.340	2.531	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)Cc1sc(C)cc1C	ZINC000911902956	639884901	/nfs/dbraw/zinc/88/49/01/639884901.db2.gz	JUZPFLRDLDJHOB-SECBINFHSA-N	-1	1	239.340	2.530	20	30		BFEDMM
O=C(/C=C/c1ccc([O-])c(F)c1)c1ccncc1	ZINC000182243672	642981312	/nfs/dbraw/zinc/98/13/12/642981312.db2.gz	SALBDYAYEMBEJJ-HNQUOIGGSA-N	-1	1	243.237	2.822	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)[C@H](C)c1ccccc1C	ZINC000824033547	644519677	/nfs/dbraw/zinc/51/96/77/644519677.db2.gz	OLWKELCKXLCBND-NWDGAFQWSA-N	-1	1	233.311	2.721	20	30		BFEDMM
[O-]c1ccc(C=NOC/C=C\Cl)cc1F	ZINC000811672033	711460137	/nfs/dbraw/zinc/46/01/37/711460137.db2.gz	OIMNMZNKXMJRCD-HDFQWQTNSA-N	-1	1	229.638	2.634	20	30		BFEDMM
C=C[C@@H](CC)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229751264	976977887	/nfs/dbraw/zinc/97/78/87/976977887.db2.gz	VDDGHPOUWXHQPJ-VIFPVBQESA-N	-1	1	237.255	2.952	20	30		BFEDMM
C=CC(C=C)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229755715	976978532	/nfs/dbraw/zinc/97/85/32/976978532.db2.gz	ZPUQGISUJVQNDL-UHFFFAOYSA-N	-1	1	235.239	2.728	20	30		BFEDMM
CCCCOC(=O)Nc1c([O-])cccc1C#N	ZINC001193705896	981425875	/nfs/dbraw/zinc/42/58/75/981425875.db2.gz	VZNAOJHDJNJBPG-UHFFFAOYSA-N	-1	1	234.255	2.612	20	30		BFEDMM
N#Cc1cccc(O)c1Nc1ccc(F)c([O-])c1	ZINC001211220841	958078664	/nfs/dbraw/zinc/07/86/64/958078664.db2.gz	UVSJGGSBPYSKGI-UHFFFAOYSA-N	-1	1	244.225	2.852	20	30		BFEDMM
CCCCCCC[C@H](CC)OCc1nn[n-]n1	ZINC001223026736	960930853	/nfs/dbraw/zinc/93/08/53/960930853.db2.gz	HLQDLINFLGPSEE-NSHDSACASA-N	-1	1	240.351	2.855	20	30		BFEDMM
C=C(C)CNC(=O)c1c([O-])ccc2ccccc21	ZINC001153504894	962590719	/nfs/dbraw/zinc/59/07/19/962590719.db2.gz	RMMXUPUJKCPPDP-UHFFFAOYSA-N	-1	1	241.290	2.851	20	30		BFEDMM
CCc1coc(CNc2cccc(/C=N/[O-])c2)n1	ZINC001162140379	964854665	/nfs/dbraw/zinc/85/46/65/964854665.db2.gz	LOFZWQWECXJVPG-VIZOYTHASA-N	-1	1	245.282	2.657	20	30		BFEDMM
[O-]/N=C/c1ccc(-c2ccncc2)cc1F	ZINC001239611849	967046766	/nfs/dbraw/zinc/04/67/66/967046766.db2.gz	NIPPKTCOSOQLFT-OVCLIPMQSA-N	-1	1	216.215	2.696	20	30		BFEDMM
N#Cc1cccc(Nc2c([O-])cccc2F)n1	ZINC001249989112	967235262	/nfs/dbraw/zinc/23/52/62/967235262.db2.gz	SMCLIBWUQLLEHN-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
N#Cc1ccccc1Cc1cc([O-])cc(F)c1	ZINC001250046481	967304879	/nfs/dbraw/zinc/30/48/79/967304879.db2.gz	VZSCCKIQFRSLGY-UHFFFAOYSA-N	-1	1	227.238	2.994	20	30		BFEDMM
N#Cc1cccc(Cc2ccc([O-])c(C#N)c2)c1	ZINC001250048612	967305517	/nfs/dbraw/zinc/30/55/17/967305517.db2.gz	FFIBEGSKVNRFFG-UHFFFAOYSA-N	-1	1	234.258	2.726	20	30		BFEDMM
Cc1nc(-c2ccc([O-])c(C#N)c2)ccc1F	ZINC001250488532	967950966	/nfs/dbraw/zinc/95/09/66/967950966.db2.gz	URIKDGPHLCCBAT-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1ncc(F)cc1-c1cc(F)ccc1[O-]	ZINC001240697005	968642254	/nfs/dbraw/zinc/64/22/54/968642254.db2.gz	YUAVXHRYJXHAKZ-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#Cc1ccnc(-c2ccc([O-])c(F)c2)c1F	ZINC001240781978	968681255	/nfs/dbraw/zinc/68/12/55/968681255.db2.gz	NITWIXUPNBEXSK-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1cc(Nc2ncc(F)cc2[O-])ccc1C#N	ZINC001210806109	970044899	/nfs/dbraw/zinc/04/48/99/970044899.db2.gz	QWMGDTPRIGMGHI-UHFFFAOYSA-N	-1	1	243.241	2.850	20	30		BFEDMM
Cc1noc([N-]c2cnccc2Cl)c1C#N	ZINC001211207745	970167823	/nfs/dbraw/zinc/16/78/23/970167823.db2.gz	CQPCJVGKDRIVBN-UHFFFAOYSA-N	-1	1	234.646	2.647	20	30		BFEDMM
N#Cc1ncc(-c2ccc(F)c([O-])c2)cc1F	ZINC001243047314	970203799	/nfs/dbraw/zinc/20/37/99/970203799.db2.gz	BJCCDXOQECAPOV-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
C=CCN(CC=C)Cc1sccc1C(=O)[O-]	ZINC001144677976	972931866	/nfs/dbraw/zinc/93/18/66/972931866.db2.gz	JRZSFOORKKUBIP-UHFFFAOYSA-N	-1	1	237.324	2.620	20	30		BFEDMM
C#C[C@H](CCC)Oc1cc([O-])ccc1C(C)=O	ZINC001225618137	974599282	/nfs/dbraw/zinc/59/92/82/974599282.db2.gz	CNTWOQRTSRCBJQ-GFCCVEGCSA-N	-1	1	232.279	2.776	20	30		BFEDMM
C=CC[C@@H](C)Oc1cc([O-])cc(O)c1C(C)=O	ZINC001225677019	974639362	/nfs/dbraw/zinc/63/93/62/974639362.db2.gz	LEZSZBGXZNLLSP-MRVPVSSYSA-N	-1	1	236.267	2.644	20	30		BFEDMM
C=CCC[C@@H](CC)Oc1cc(=O)[n-]c(=S)[nH]1	ZINC001225762300	974673652	/nfs/dbraw/zinc/67/36/52/974673652.db2.gz	LGLIMZSFXJIPPV-MRVPVSSYSA-N	-1	1	240.328	2.595	20	30		BFEDMM
[O-]/N=C/c1cccc(OC2CC(F)(F)C2)c1	ZINC001226114648	974797184	/nfs/dbraw/zinc/79/71/84/974797184.db2.gz	NRBHPPYIIITUFU-VGOFMYFVSA-N	-1	1	227.210	2.671	20	30		BFEDMM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2cnc[n-]c2=O)C1	ZINC001227048235	975232669	/nfs/dbraw/zinc/23/26/69/975232669.db2.gz	AVXIWQCSRLPTKB-VXGBXAGGSA-N	-1	1	246.310	2.862	20	30		BFEDMM
N#Cc1ccc([O-])cc1OC1CCSCC1	ZINC001228006188	975846754	/nfs/dbraw/zinc/84/67/54/975846754.db2.gz	YCWTUZNMXOXGAO-UHFFFAOYSA-N	-1	1	235.308	2.538	20	30		BFEDMM
C[C@@H](COC(C)(C)C)Oc1cc([O-])ccc1C#N	ZINC001228004771	975847662	/nfs/dbraw/zinc/84/76/62/975847662.db2.gz	GFPQERBOSLMDOE-JTQLQIEISA-N	-1	1	249.310	2.846	20	30		BFEDMM
C=CC[C@H](CCCC)Oc1cnnc(=S)[n-]1	ZINC001228635738	976391660	/nfs/dbraw/zinc/39/16/60/976391660.db2.gz	CIZCAPGUKKRDOY-SECBINFHSA-N	-1	1	239.344	2.674	20	30		BFEDMM
C=CC[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12	ZINC001229130113	976769759	/nfs/dbraw/zinc/76/97/59/976769759.db2.gz	VFSVTIMUTXVEHR-SECBINFHSA-N	-1	1	246.262	2.842	20	30		BFEDMM
C#C[C@H](CC(C)C)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229395949	976857189	/nfs/dbraw/zinc/85/71/89/976857189.db2.gz	NUMOGEXQEBIHIA-LLVKDONJSA-N	-1	1	249.266	2.727	20	30		BFEDMM
C#C[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])C(C)C	ZINC001229752630	976978850	/nfs/dbraw/zinc/97/88/50/976978850.db2.gz	CQOZNQSUWFWSHB-LBPRGKRZSA-N	-1	1	249.266	2.645	20	30		BFEDMM
CC(C)c1nnc([N-]c2ccc(F)c(C#N)c2)o1	ZINC001176611151	978134139	/nfs/dbraw/zinc/13/41/39/978134139.db2.gz	OAFUNVSIWSYWLF-UHFFFAOYSA-N	-1	1	246.245	2.947	20	30		BFEDMM
C[C@H](Oc1ccccc1C=N[O-])C1CC1	ZINC001234821486	978906698	/nfs/dbraw/zinc/90/66/98/978906698.db2.gz	FNQMHBZHOUIFAQ-VIFPVBQESA-N	-1	1	205.257	2.672	20	30		BFEDMM
Cc1cnc(-c2cc([O-])cc(Cl)c2)c(C#N)n1	ZINC001235899695	979190799	/nfs/dbraw/zinc/19/07/99/979190799.db2.gz	SRFUCHDSOGIOTM-UHFFFAOYSA-N	-1	1	245.669	2.683	20	30		BFEDMM
C=CC[C@@H]1CCN1Cc1cc(C(=O)[O-])ccc1F	ZINC001602855631	979311308	/nfs/dbraw/zinc/31/13/08/979311308.db2.gz	WAENWPNOFDYXDH-GFCCVEGCSA-N	-1	1	249.285	2.674	20	30		BFEDMM
[O-]/N=C/c1ccc(-c2cccnc2)cc1F	ZINC001239569753	980758023	/nfs/dbraw/zinc/75/80/23/980758023.db2.gz	WXPLZHHPINOYTE-OVCLIPMQSA-N	-1	1	216.215	2.696	20	30		BFEDMM
COc1cncc(-c2cc(/C=N/[O-])ccc2F)c1	ZINC001239930939	981042159	/nfs/dbraw/zinc/04/21/59/981042159.db2.gz	VCGAGBARXKCWSA-OMCISZLKSA-N	-1	1	246.241	2.704	20	30		BFEDMM
Cc1nn(C)c(C)c1-c1ccc(/C=N/[O-])c(F)c1	ZINC001240145052	981145893	/nfs/dbraw/zinc/14/58/93/981145893.db2.gz	MYTZHAKGPDAGKV-VIZOYTHASA-N	-1	1	247.273	2.651	20	30		BFEDMM
[O-]/N=C/c1ccc(-c2cncc(F)c2)cc1F	ZINC001240237429	981201719	/nfs/dbraw/zinc/20/17/19/981201719.db2.gz	WISAENIYSVQPRA-OMCISZLKSA-N	-1	1	234.205	2.835	20	30		BFEDMM
CCCCOC(=O)Nc1ccc([O-])c(C#N)c1	ZINC001193706136	981427418	/nfs/dbraw/zinc/42/74/18/981427418.db2.gz	XFFOWNUQPFAQQH-UHFFFAOYSA-N	-1	1	234.255	2.612	20	30		BFEDMM
CCn1cc(-c2ccc(/C=N/[O-])c(F)c2)cn1	ZINC001240652802	981565234	/nfs/dbraw/zinc/56/52/34/981565234.db2.gz	YMJZAEFAZBMHSR-VIZOYTHASA-N	-1	1	233.246	2.517	20	30		BFEDMM
N#CCc1cccc(-c2cc(F)ccc2[O-])n1	ZINC001240694564	981604768	/nfs/dbraw/zinc/60/47/68/981604768.db2.gz	YFKMGSOMQAGDAE-UHFFFAOYSA-N	-1	1	228.226	2.659	20	30		BFEDMM
C=CCOC(=O)Nc1c([O-])cccc1Cl	ZINC001194319071	981664935	/nfs/dbraw/zinc/66/49/35/981664935.db2.gz	JCHKXADCJBKNMS-UHFFFAOYSA-N	-1	1	227.647	2.780	20	30		BFEDMM
Cc1cc(C#N)cnc1-c1ccc([O-])c(F)c1	ZINC001240782674	981820885	/nfs/dbraw/zinc/82/08/85/981820885.db2.gz	CXJKFOBDTIJILD-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1ccc2ncnc(-c3ccccc3[O-])c2c1	ZINC001241001822	982086380	/nfs/dbraw/zinc/08/63/80/982086380.db2.gz	ITZVSNPUWATHFA-UHFFFAOYSA-N	-1	1	247.257	2.874	20	30		BFEDMM
Cc1ccc(-c2ncc(C#N)cc2C)c([O-])c1	ZINC001241028428	982124845	/nfs/dbraw/zinc/12/48/45/982124845.db2.gz	NODSSRKLDKFESE-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
COc1nc(-c2ccc(C)cc2[O-])ccc1C#N	ZINC001241031062	982127226	/nfs/dbraw/zinc/12/72/26/982127226.db2.gz	WYKWXDDJRVVFGE-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
Cc1ccc(-c2ccc(C#N)c(C)n2)c([O-])c1	ZINC001241035651	982138865	/nfs/dbraw/zinc/13/88/65/982138865.db2.gz	CATRVHQCQNGTBI-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
Cc1cc(C#N)cnc1-c1c(F)ccc([O-])c1F	ZINC001241291005	982426630	/nfs/dbraw/zinc/42/66/30/982426630.db2.gz	TVUJEQHNUSXLOB-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
CNc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cn1	ZINC001242071573	983308628	/nfs/dbraw/zinc/30/86/28/983308628.db2.gz	VVCDGNLSSWHJBZ-CAOOACKPSA-N	-1	1	245.257	2.738	20	30		BFEDMM
N#CCc1ccc(-c2ccc([O-])c(F)c2F)cn1	ZINC001243342646	984831780	/nfs/dbraw/zinc/83/17/80/984831780.db2.gz	MYEBGLPZLADQLI-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
C=C(C)CCC(=O)Nc1c([O-])cccc1F	ZINC001453013814	984982560	/nfs/dbraw/zinc/98/25/60/984982560.db2.gz	JSINTDAXENGDAV-UHFFFAOYSA-N	-1	1	223.247	2.826	20	30		BFEDMM
N#Cc1cc(F)cnc1-c1cccc([O-])c1F	ZINC001243542195	985074082	/nfs/dbraw/zinc/07/40/82/985074082.db2.gz	IPXKTVHAIOUQQC-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1cc(-c2cccc([O-])c2F)ncc1C#N	ZINC001243544736	985083001	/nfs/dbraw/zinc/08/30/01/985083001.db2.gz	VVAAEDHXICYOES-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1cnccc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001244335853	985981519	/nfs/dbraw/zinc/98/15/19/985981519.db2.gz	NEFRNSVZZDUONL-CAOOACKPSA-N	-1	1	241.225	2.567	20	30		BFEDMM
Cc1ccc([O-])c(-c2nccc(F)c2C#N)c1	ZINC001244403198	986069437	/nfs/dbraw/zinc/06/94/37/986069437.db2.gz	ULPIPTAVZNYPQI-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
COc1ccc(C#N)c(-c2cc(C)ccc2[O-])n1	ZINC001244410512	986087740	/nfs/dbraw/zinc/08/77/40/986087740.db2.gz	ZKCSEHROYRTDNI-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccc(C)c(F)c2)[n-]1	ZINC001245952203	987229788	/nfs/dbraw/zinc/22/97/88/987229788.db2.gz	UIHUZGOUBCANIL-UHFFFAOYSA-N	-1	1	244.269	2.591	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccc(Cl)cc2)[n-]1	ZINC001245952251	987230637	/nfs/dbraw/zinc/23/06/37/987230637.db2.gz	VOMTXMFSLAJQLX-UHFFFAOYSA-N	-1	1	246.697	2.797	20	30		BFEDMM
CC(C)(C)ON=Cc1ccc([O-])c(F)c1	ZINC001116404893	987555245	/nfs/dbraw/zinc/55/52/45/987555245.db2.gz	QEPCPYRXRXCLRD-UHFFFAOYSA-N	-1	1	211.236	2.680	20	30		BFEDMM
CC(=NNCC(C)C)c1cc(F)cc(F)c1[O-]	ZINC001323367794	988506233	/nfs/dbraw/zinc/50/62/33/988506233.db2.gz	PRUIOTDFZNBTTK-UHFFFAOYSA-N	-1	1	242.269	2.640	20	30		BFEDMM
C=CCC(F)(F)C(=O)[N-][C@H](CC)C(F)(F)F	ZINC001540321199	990605992	/nfs/dbraw/zinc/60/59/92/990605992.db2.gz	COPFPGJPEIWJPY-ZCFIWIBFSA-N	-1	1	245.191	2.655	20	30		BFEDMM
C=CC[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-]	ZINC001334016592	994559152	/nfs/dbraw/zinc/55/91/52/994559152.db2.gz	PBMQGGUHTODSCZ-JLLWLGSASA-N	-1	1	249.310	2.522	20	30		BFEDMM
C=CC[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(=O)[O-]	ZINC001334016593	994560707	/nfs/dbraw/zinc/56/07/07/994560707.db2.gz	PBMQGGUHTODSCZ-USWWRNFRSA-N	-1	1	249.310	2.522	20	30		BFEDMM
C=C[C@H](C)NC(=O)c1ccc2ccccc2c1[O-]	ZINC000123516443	398322422	/nfs/dbraw/zinc/32/24/22/398322422.db2.gz	XEGMPBYZBXBPOF-JTQLQIEISA-N	-1	1	241.290	2.850	20	30		BFEDMM
C=C(C)Cn1[n-]c2c(c1=O)C[C@@H](C(C)C)CC2	ZINC000634603669	342996336	/nfs/dbraw/zinc/99/63/36/342996336.db2.gz	GONJILBCESAMKT-RYUDHWBXSA-N	-1	1	234.343	2.833	20	30		BFEDMM
CCCc1cc(=O)[n-]c(S[C@@H](C#N)C2CC2)n1	ZINC000601070484	346012667	/nfs/dbraw/zinc/01/26/67/346012667.db2.gz	SGKMQIDGOIZWCL-JTQLQIEISA-N	-1	1	249.339	2.529	20	30		BFEDMM
CC[C@@H](C#N)Sc1nc(C)c(C2CC2)c(=O)[n-]1	ZINC000601086677	346017121	/nfs/dbraw/zinc/01/71/21/346017121.db2.gz	APGKJHLVTYMXEB-VIFPVBQESA-N	-1	1	249.339	2.762	20	30		BFEDMM
CC1(C)CC(N=c2[n-]c(C#N)c(Cl)s2)C1	ZINC000596554207	348577129	/nfs/dbraw/zinc/57/71/29/348577129.db2.gz	WNTMBTKDNFBPII-UHFFFAOYSA-N	-1	1	241.747	2.691	20	30		BFEDMM
CC[C@H](C)N(CC)C(=O)c1cc([O-])cc(C#N)c1	ZINC000597857820	348828563	/nfs/dbraw/zinc/82/85/63/348828563.db2.gz	TZXJNODVJCWZAR-JTQLQIEISA-N	-1	1	246.310	2.524	20	30		BFEDMM
CC(C)[C@@H]1CCc2[n-]n([C@H](C)CC#N)c(=O)c2C1	ZINC000601934520	349388164	/nfs/dbraw/zinc/38/81/64/349388164.db2.gz	CERRMYDCJKTSIH-UTUOFQBUSA-N	-1	1	247.342	2.559	20	30		BFEDMM
C=C(C)CN(CC)C(=O)c1ccc([O-])cc1F	ZINC000154792076	191078044	/nfs/dbraw/zinc/07/80/44/191078044.db2.gz	HPIVSALFKFHIST-UHFFFAOYSA-N	-1	1	237.274	2.570	20	30		BFEDMM
N#Cc1cc(-c2ccsc2)ccc1[O-]	ZINC000065341272	181082020	/nfs/dbraw/zinc/08/20/20/181082020.db2.gz	SSZFWEXAVOTWIG-UHFFFAOYSA-N	-1	1	201.250	2.992	20	30		BFEDMM
CCCCN(CC)C(=O)c1cc([O-])cc(C#N)c1	ZINC000614293690	363781924	/nfs/dbraw/zinc/78/19/24/363781924.db2.gz	TZNGUJVYWJPXIL-UHFFFAOYSA-N	-1	1	246.310	2.526	20	30		BFEDMM
CC#CCCSc1nc(CC)c(C)c(=O)[n-]1	ZINC000579496562	366834755	/nfs/dbraw/zinc/83/47/55/366834755.db2.gz	KEBKPIJSGYXIJS-UHFFFAOYSA-N	-1	1	236.340	2.559	20	30		BFEDMM
C=C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000382482042	367529028	/nfs/dbraw/zinc/52/90/28/367529028.db2.gz	PVMOYITUISGNMT-UHFFFAOYSA-N	-1	1	249.285	2.676	20	30		BFEDMM
C=C1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1	ZINC000382495714	367531380	/nfs/dbraw/zinc/53/13/80/367531380.db2.gz	JDSMSPGNXJNBFE-JTQLQIEISA-N	-1	1	235.283	2.691	20	30		BFEDMM
C=C1CCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)CC1	ZINC000581493664	367523306	/nfs/dbraw/zinc/52/33/06/367523306.db2.gz	CJXJJNLRALQSJP-SNVBAGLBSA-N	-1	1	249.310	2.999	20	30		BFEDMM
C=C(C)CCNC(=O)c1cc(Cl)ccc1[O-]	ZINC000386704826	368011763	/nfs/dbraw/zinc/01/17/63/368011763.db2.gz	NWTRBEMTSHDBMZ-UHFFFAOYSA-N	-1	1	239.702	2.742	20	30		BFEDMM
N#Cc1ccnc(/C=C/c2ccc([O-])c(F)c2)c1	ZINC000334893925	383972107	/nfs/dbraw/zinc/97/21/07/383972107.db2.gz	KKDQELLYLPJSHQ-HNQUOIGGSA-N	-1	1	240.237	2.968	20	30		BFEDMM
CCC[C@@H](CC)NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188390540	384942898	/nfs/dbraw/zinc/94/28/98/384942898.db2.gz	CCASSCCSKBEQLC-GFCCVEGCSA-N	-1	1	246.310	2.572	20	30		BFEDMM
C[C@@H](CCC#N)Sc1nc(C2CC2)cc(=O)[n-]1	ZINC000195084419	134961426	/nfs/dbraw/zinc/96/14/26/134961426.db2.gz	LVPJXKLPBKHMJQ-QMMMGPOBSA-N	-1	1	249.339	2.844	20	30		BFEDMM
C=C(C)CN(C)Cc1ccc(C(=O)[O-])cc1F	ZINC000652430675	411241615	/nfs/dbraw/zinc/24/16/15/411241615.db2.gz	WSLXHBJFUAPION-UHFFFAOYSA-N	-1	1	237.274	2.532	20	30		BFEDMM
C=CCCCN(C)C(=O)c1ccc([O-])c(F)c1	ZINC000681047986	487700712	/nfs/dbraw/zinc/70/07/12/487700712.db2.gz	MEKBZRIZFXWKMN-UHFFFAOYSA-N	-1	1	237.274	2.570	20	30		BFEDMM
CCON=C(C)c1ccc(Cl)cc1[O-]	ZINC000841616115	587959990	/nfs/dbraw/zinc/95/99/90/587959990.db2.gz	KUFGFQBANMWZLY-UHFFFAOYSA-N	-1	1	213.664	2.806	20	30		BFEDMM
C=CCCCSc1ncc(C)c(=O)[n-]1	ZINC000567063017	326109556	/nfs/dbraw/zinc/10/95/56/326109556.db2.gz	LSLUKEUPXMLRMH-UHFFFAOYSA-N	-1	1	210.302	2.549	20	30		BFEDMM
CCC#C[C@@H](C)Sc1nc(C2CC2)cc(=O)[n-]1	ZINC000683454709	488165409	/nfs/dbraw/zinc/16/54/09/488165409.db2.gz	SKCOVHJANUBFHJ-SECBINFHSA-N	-1	1	248.351	2.954	20	30		BFEDMM
C=CCCCNC(=O)c1cc(Cl)ccc1[O-]	ZINC000303987587	527228600	/nfs/dbraw/zinc/22/86/00/527228600.db2.gz	LDIXZQBCBXIUJS-UHFFFAOYSA-N	-1	1	239.702	2.742	20	30		BFEDMM
C=CCN(CC(=O)[O-])Cc1cccc(C(C)C)c1	ZINC000853084655	588719119	/nfs/dbraw/zinc/71/91/19/588719119.db2.gz	LXWKEWVBIQMPDZ-UHFFFAOYSA-N	-1	1	247.338	2.883	20	30		BFEDMM
C[C@H]1CCCCN1N=Cc1cccc(F)c1[O-]	ZINC000853380324	588739376	/nfs/dbraw/zinc/73/93/76/588739376.db2.gz	SOWDEMLNBBQSFY-JTQLQIEISA-N	-1	1	236.290	2.740	20	30		BFEDMM
C=CC(C)(C)NC(=O)c1c([O-])cccc1Cl	ZINC000891269244	582648541	/nfs/dbraw/zinc/64/85/41/582648541.db2.gz	FVIWSJLQRUEPGD-UHFFFAOYSA-N	-1	1	239.702	2.740	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@@H]1CCCc2ccccc21	ZINC000856030096	588856287	/nfs/dbraw/zinc/85/62/87/588856287.db2.gz	ORXSMXSKPXETLV-CQSZACIVSA-N	-1	1	245.322	2.730	20	30		BFEDMM
C=CCCO[N-]C(=O)Cc1ccc(Cl)s1	ZINC000856034854	583114540	/nfs/dbraw/zinc/11/45/40/583114540.db2.gz	NARIUALAVOLWHV-UHFFFAOYSA-N	-1	1	245.731	2.568	20	30		BFEDMM
CC(=NNc1ccccn1)c1ccc(O)cc1F	ZINC000729932444	584030262	/nfs/dbraw/zinc/03/02/62/584030262.db2.gz	LCGWLMZGNUDFOR-UHFFFAOYSA-N	-1	1	245.257	2.762	20	30		BFEDMM
C#CCc1c(C)[n-]n([C@@H]2CCCCC2(C)C)c1=O	ZINC000899355761	584201652	/nfs/dbraw/zinc/20/16/52/584201652.db2.gz	UWOHBSQRDMCFFL-QWHCGFSZSA-N	-1	1	246.354	2.813	20	30		BFEDMM
C=CCN(CC(=O)[O-])Cc1ccccc1C(C)C	ZINC000903896831	584819921	/nfs/dbraw/zinc/81/99/21/584819921.db2.gz	VUKJNZSCSOETDC-UHFFFAOYSA-N	-1	1	247.338	2.883	20	30		BFEDMM
C=CCON=C(CC)c1ccc([O-])c(F)c1	ZINC000835013239	584918250	/nfs/dbraw/zinc/91/82/50/584918250.db2.gz	MWQRYFFEIRIVFV-UHFFFAOYSA-N	-1	1	223.247	2.848	20	30		BFEDMM
CC(=NOCC(F)F)c1ccc(F)cc1[O-]	ZINC000758900449	585362024	/nfs/dbraw/zinc/36/20/24/585362024.db2.gz	WADZJDUSTZRGEA-UHFFFAOYSA-N	-1	1	233.189	2.537	20	30		BFEDMM
CC(=NOCC(F)F)c1ccc([O-])c(F)c1	ZINC000758909279	585362640	/nfs/dbraw/zinc/36/26/40/585362640.db2.gz	CKIKCZKSQSEJJS-UHFFFAOYSA-N	-1	1	233.189	2.537	20	30		BFEDMM
CC(=NNc1ccccn1)c1sccc1[O-]	ZINC000769776264	585563205	/nfs/dbraw/zinc/56/32/05/585563205.db2.gz	HLZKKSVJYKERAG-UHFFFAOYSA-N	-1	1	233.296	2.685	20	30		BFEDMM
C[C@H](C#N)C[N@@H+](Cc1ccccc1O)C1CC1	ZINC000770505338	585575040	/nfs/dbraw/zinc/57/50/40/585575040.db2.gz	QMFDNNLHURRIIR-LLVKDONJSA-N	-1	1	230.311	2.516	20	30		BFEDMM
O=C(/C=C/c1ccc([O-])c(F)c1)c1cncs1	ZINC000787171990	585902579	/nfs/dbraw/zinc/90/25/79/585902579.db2.gz	GYGZPRXSPMSIFM-DUXPYHPUSA-N	-1	1	249.266	2.884	20	30		BFEDMM
[O-]c1c(F)cccc1C=NNc1cccc(F)n1	ZINC000795005701	586064622	/nfs/dbraw/zinc/06/46/22/586064622.db2.gz	CTBZHVMZSPSLSC-UHFFFAOYSA-N	-1	1	249.220	2.511	20	30		BFEDMM
Cc1cc(C)c(C(=O)/C=C\c2cocn2)c([O-])c1	ZINC000799895123	586201838	/nfs/dbraw/zinc/20/18/38/586201838.db2.gz	MCYFPGBKIXFQRG-ARJAWSKDSA-N	-1	1	243.262	2.893	20	30		BFEDMM
C=C(C)CCOC(=O)c1c(C)n[nH]c1C(C)C	ZINC000803455494	586354408	/nfs/dbraw/zinc/35/44/08/586354408.db2.gz	MKUFOGLUMUGXKG-UHFFFAOYSA-N	-1	1	236.315	2.965	20	30		BFEDMM
[O-]c1ccc(F)c(C=NOCCC2CC2)c1F	ZINC000814245757	586620228	/nfs/dbraw/zinc/62/02/28/586620228.db2.gz	GROBTWMETFGRJB-UHFFFAOYSA-N	-1	1	241.237	2.821	20	30		BFEDMM
CC[C@@H](C)NN=Cc1cc(Cl)c(F)cc1[O-]	ZINC000814913523	586649651	/nfs/dbraw/zinc/64/96/51/586649651.db2.gz	OSVFPFYMOGDJSS-SSDOTTSWSA-N	-1	1	244.697	2.907	20	30		BFEDMM
C=C(C)CNN=Cc1cccc([O-])c1Cl	ZINC000814932699	586653784	/nfs/dbraw/zinc/65/37/84/586653784.db2.gz	PBYWBMROPQLNDA-UHFFFAOYSA-N	-1	1	224.691	2.545	20	30		BFEDMM
C=CCCC(=O)NCc1ccc([O-])c(Cl)c1	ZINC000834829158	587768313	/nfs/dbraw/zinc/76/83/13/587768313.db2.gz	MKGVJVBYEVHEJY-UHFFFAOYSA-N	-1	1	239.702	2.628	20	30		BFEDMM
C=CC[C@H]1CCC(N=Nc2nc(C)cc(=O)[n-]2)C1	ZINC000844563311	588202933	/nfs/dbraw/zinc/20/29/33/588202933.db2.gz	OHBPKOCUQRPFBD-JTQLQIEISA-N	-1	1	246.314	2.635	20	30		BFEDMM
C=CCCOC(=O)Cc1ccc([O-])c(Cl)c1	ZINC000869734588	589625759	/nfs/dbraw/zinc/62/57/59/589625759.db2.gz	HSJWCKMVRILWIY-UHFFFAOYSA-N	-1	1	240.686	2.707	20	30		BFEDMM
CC[C@H](C)[C@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692059	589684577	/nfs/dbraw/zinc/68/45/77/589684577.db2.gz	WOQIYQZKHSVZHS-QWRGUYRKSA-N	-1	1	246.310	2.650	20	30		BFEDMM
[O-]c1c(F)cc(F)cc1C=NOC1CCC1	ZINC000884471452	591944891	/nfs/dbraw/zinc/94/48/91/591944891.db2.gz	WQGZGFHCVDMGJA-UHFFFAOYSA-N	-1	1	227.210	2.573	20	30		BFEDMM
C=C[C@H]1CCCCN1Cc1cc(C(=O)[O-])co1	ZINC000902544924	637307720	/nfs/dbraw/zinc/30/77/20/637307720.db2.gz	NKECNAKTMMKFIW-NSHDSACASA-N	-1	1	235.283	2.518	20	30		BFEDMM
C=C[C@H]1CCCCN1Cc1cc(C)c(C(=O)[O-])o1	ZINC000902545137	637308384	/nfs/dbraw/zinc/30/83/84/637308384.db2.gz	REFNDGWAVZTJAT-NSHDSACASA-N	-1	1	249.310	2.827	20	30		BFEDMM
C=CCCCC(=O)Nc1cc(F)cc(F)c1[O-]	ZINC000910983542	639557545	/nfs/dbraw/zinc/55/75/45/639557545.db2.gz	XPFZIEWAOGEEEK-UHFFFAOYSA-N	-1	1	241.237	2.965	20	30		BFEDMM
C=C(C)CO[N-]C(=O)[C@@H](C)c1cccc(F)c1	ZINC000846538412	643680248	/nfs/dbraw/zinc/68/02/48/643680248.db2.gz	WLIPUSVGZQWLOA-JTQLQIEISA-N	-1	1	237.274	2.553	20	30		BFEDMM
C=CCN(CC(=O)[O-])Cc1cccc(C2CC2)c1	ZINC000094525709	644718961	/nfs/dbraw/zinc/71/89/61/644718961.db2.gz	GEXVWJSMYCGVGT-UHFFFAOYSA-N	-1	1	245.322	2.637	20	30		BFEDMM
C#C[C@@H](CC)Oc1cc([O-])ccc1C(=O)CC	ZINC001229474127	976875181	/nfs/dbraw/zinc/87/51/81/976875181.db2.gz	AMPMQEVBZPWSPW-NSHDSACASA-N	-1	1	232.279	2.776	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)C1(C)C(C)(C)C1(C)C	ZINC001300213288	982730195	/nfs/dbraw/zinc/73/01/95/982730195.db2.gz	OBSOTXZMJCCMIT-VIFPVBQESA-N	-1	1	225.332	2.681	20	30		BFEDMM
C=C[C@@H](CC)Oc1cc([O-])ccc1C(C)=O	ZINC001225617663	974596976	/nfs/dbraw/zinc/59/69/76/974596976.db2.gz	YOQIFWJDUIXSHY-NSHDSACASA-N	-1	1	220.268	2.938	20	30		BFEDMM
C#C[C@@H](CCCC)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229394576	964119220	/nfs/dbraw/zinc/11/92/20/964119220.db2.gz	AAIWTDLLFHXZEG-NSHDSACASA-N	-1	1	249.266	2.871	20	30		BFEDMM
N#Cc1ccnc(Nc2ccc([O-])c(F)c2F)c1	ZINC001211997741	964145940	/nfs/dbraw/zinc/14/59/40/964145940.db2.gz	JETBIIAUXHDQOK-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
N#Cc1cccc(Nc2cc(F)cc(F)c2[O-])n1	ZINC001212479809	967480016	/nfs/dbraw/zinc/48/00/16/967480016.db2.gz	SQWKBJCNYPWBSO-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
[O-]/N=C/c1ccc(-c2ccc(F)cn2)cc1F	ZINC001241809536	969119542	/nfs/dbraw/zinc/11/95/42/969119542.db2.gz	QQEZNPRALATNDO-OMCISZLKSA-N	-1	1	234.205	2.835	20	30		BFEDMM
CC(C)(C)ON=Cc1cccc(F)c1[O-]	ZINC001253789707	969410353	/nfs/dbraw/zinc/41/03/53/969410353.db2.gz	UWKVKLHMKRRTJQ-UHFFFAOYSA-N	-1	1	211.236	2.680	20	30		BFEDMM
N#Cc1cncc(Nc2ccc(F)cc2[O-])c1	ZINC001210014729	969756738	/nfs/dbraw/zinc/75/67/38/969756738.db2.gz	OULIMYBUQOXYBI-UHFFFAOYSA-N	-1	1	229.214	2.542	20	30		BFEDMM
N#Cc1cncc(Nc2cc(F)cc(F)c2[O-])c1	ZINC001210089176	969795575	/nfs/dbraw/zinc/79/55/75/969795575.db2.gz	NNJBCYWKFFEOQN-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
N#Cc1ncccc1Nc1cc([O-])c(F)cc1F	ZINC001210147647	969814408	/nfs/dbraw/zinc/81/44/08/969814408.db2.gz	VGOZIAKKDKMXFE-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
C=CCN(CC=C)Cc1c(F)cc([O-])cc1F	ZINC001144555181	972867656	/nfs/dbraw/zinc/86/76/56/972867656.db2.gz	YOMMZQFRMSMUSC-UHFFFAOYSA-N	-1	1	239.265	2.844	20	30		BFEDMM
CO[C@H](C)CO/C(=N\[O-])c1ccc(Cl)cc1	ZINC001223597074	973191266	/nfs/dbraw/zinc/19/12/66/973191266.db2.gz	PVTVQXHNKJMOSZ-KXVPCBDSSA-N	-1	1	243.690	2.527	20	30		BFEDMM
CCC[C@H](C)Oc1cc([O-])ccc1C#N	ZINC001228005947	975839557	/nfs/dbraw/zinc/83/95/57/975839557.db2.gz	UGSMQYMGKRVGBH-VIFPVBQESA-N	-1	1	205.257	2.831	20	30		BFEDMM
C[C@H]1CCC[C@H]1Oc1cc([O-])ccc1C#N	ZINC001228005256	975848230	/nfs/dbraw/zinc/84/82/30/975848230.db2.gz	KAYYADJSNQKJDT-JOYOIKCWSA-N	-1	1	217.268	2.831	20	30		BFEDMM
COC1CCC(Oc2cc([O-])ccc2C#N)CC1	ZINC001228007217	975849152	/nfs/dbraw/zinc/84/91/52/975849152.db2.gz	NYLSBTLPJWKGMM-UHFFFAOYSA-N	-1	1	247.294	2.600	20	30		BFEDMM
C=C[C@H](CCC)Oc1cc(=O)[n-]c(SC)n1	ZINC001228094617	975900417	/nfs/dbraw/zinc/90/04/17/975900417.db2.gz	LAINUNSATIGUDJ-MRVPVSSYSA-N	-1	1	240.328	2.638	20	30		BFEDMM
C=CC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229398736	976861706	/nfs/dbraw/zinc/86/17/06/976861706.db2.gz	ZPVJVPONSQERSH-MRVPVSSYSA-N	-1	1	223.228	2.644	20	30		BFEDMM
CCO[C@H](C)COc1ccccc1/C(C)=N/[O-]	ZINC001229737944	976973718	/nfs/dbraw/zinc/97/37/18/976973718.db2.gz	GCPYQVCNVYVAIP-PIYPRNMZSA-N	-1	1	237.299	2.689	20	30		BFEDMM
N#Cc1ccc(Nc2cc(C#N)ccc2[O-])cc1	ZINC001249710571	978293799	/nfs/dbraw/zinc/29/37/99/978293799.db2.gz	JKXOHQRVPQAWDS-UHFFFAOYSA-N	-1	1	235.246	2.879	20	30		BFEDMM
C=CC[C@H](C=C)Oc1cc([O-])c(O)cc1C(C)=O	ZINC001234475341	978847392	/nfs/dbraw/zinc/84/73/92/978847392.db2.gz	FUKJDSDJSVVOLF-JTQLQIEISA-N	-1	1	248.278	2.810	20	30		BFEDMM
CC1(C)C[C@H](Oc2ccccc2C=N[O-])CCO1	ZINC001234820519	978903042	/nfs/dbraw/zinc/90/30/42/978903042.db2.gz	WPJCGWGRHZACHP-GFCCVEGCSA-N	-1	1	249.310	2.831	20	30		BFEDMM
C[C@@H](Oc1ccccc1C=N[O-])[C@H](C)S	ZINC001234819114	978904800	/nfs/dbraw/zinc/90/48/00/978904800.db2.gz	HPUUNGHWYQFHNL-BDAKNGLRSA-N	-1	1	225.313	2.580	20	30		BFEDMM
CCCOC[C@@H](C)Oc1ccccc1C=N[O-]	ZINC001234819099	978906269	/nfs/dbraw/zinc/90/62/69/978906269.db2.gz	HHCGWDWPKUSAHC-LLVKDONJSA-N	-1	1	237.299	2.689	20	30		BFEDMM
CCC#C[C@H](C)Oc1ccccc1C=N[O-]	ZINC001234819944	978908350	/nfs/dbraw/zinc/90/83/50/978908350.db2.gz	QSXBHIRHSQTBFJ-NSHDSACASA-N	-1	1	217.268	2.675	20	30		BFEDMM
[O-]N=Cc1ccccc1OC[C@@H]1CCC=CO1	ZINC001234822271	978911343	/nfs/dbraw/zinc/91/13/43/978911343.db2.gz	MFRBBBLEPRHNAU-LBPRGKRZSA-N	-1	1	233.267	2.566	20	30		BFEDMM
CCC#C[C@@H](C)Oc1nc2sccc2[n-]1	ZINC001234849193	978917886	/nfs/dbraw/zinc/91/78/86/978917886.db2.gz	ZQPAMZSAMCPGOX-MRVPVSSYSA-N	-1	1	220.297	2.805	20	30		BFEDMM
N#Cc1cccnc1-c1cc([O-])cc(Cl)c1	ZINC001235900005	979191147	/nfs/dbraw/zinc/19/11/47/979191147.db2.gz	RQMODEDWBSWIMW-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
[O-]/N=C/c1ccc(F)c(-c2ccoc2)c1	ZINC001239690878	980849722	/nfs/dbraw/zinc/84/97/22/980849722.db2.gz	ULJSIIABUXZKDC-AWNIVKPZSA-N	-1	1	205.188	2.894	20	30		BFEDMM
COc1ncccc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001239859231	981001696	/nfs/dbraw/zinc/00/16/96/981001696.db2.gz	IDZJCAKAUVEXGO-LZYBPNLTSA-N	-1	1	246.241	2.704	20	30		BFEDMM
COc1cc(-c2ccc(/C=N/[O-])c(F)c2)ccn1	ZINC001240259926	981236283	/nfs/dbraw/zinc/23/62/83/981236283.db2.gz	NHXSSOZPBGENMV-LZYBPNLTSA-N	-1	1	246.241	2.704	20	30		BFEDMM
N#Cc1ncc(-c2cc(F)ccc2[O-])cc1F	ZINC001240696742	981606214	/nfs/dbraw/zinc/60/62/14/981606214.db2.gz	NLKTWEGULREYOJ-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#Cc1ccc(-c2ccc([O-])c(F)c2)nc1F	ZINC001240783310	981822395	/nfs/dbraw/zinc/82/23/95/981822395.db2.gz	UJMIKIWQTJJPRP-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
CC[C@H](C)OC(=O)Nc1c([O-])cccc1C#N	ZINC001195123950	982104157	/nfs/dbraw/zinc/10/41/57/982104157.db2.gz	GHGXQHFOYGYAKT-QMMMGPOBSA-N	-1	1	234.255	2.611	20	30		BFEDMM
N#CCc1ccc(-c2c(F)cc([O-])cc2F)nc1	ZINC001241117636	982236402	/nfs/dbraw/zinc/23/64/02/982236402.db2.gz	SYIILELEJDGYSM-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1cc(-c2cc(/C=N/[O-])ccc2F)ccn1	ZINC001241195756	982347447	/nfs/dbraw/zinc/34/74/47/982347447.db2.gz	KJDNYMFBBTXRNU-CAOOACKPSA-N	-1	1	241.225	2.567	20	30		BFEDMM
[O-]/N=C/c1ccc(F)c(-c2ccncc2F)c1	ZINC001241228684	982381991	/nfs/dbraw/zinc/38/19/91/982381991.db2.gz	XYTHORJFSQDOTC-OMCISZLKSA-N	-1	1	234.205	2.835	20	30		BFEDMM
Cc1ccc(C#N)c(-c2c(F)ccc([O-])c2F)n1	ZINC001241291953	982435993	/nfs/dbraw/zinc/43/59/93/982435993.db2.gz	ZVYUTKXZLREZIQ-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
CSc1ncc(-c2ccccc2C=N[O-])cn1	ZINC001241632066	982868950	/nfs/dbraw/zinc/86/89/50/982868950.db2.gz	XNUKOVNNHBRUBV-UHFFFAOYSA-N	-1	1	245.307	2.674	20	30		BFEDMM
COc1cc(C)c(-c2ccccc2C=N[O-])cn1	ZINC001241776493	983044932	/nfs/dbraw/zinc/04/49/32/983044932.db2.gz	SARGJUJHDZAAFW-UHFFFAOYSA-N	-1	1	242.278	2.874	20	30		BFEDMM
COc1cc(C#N)cnc1-c1cccc(C)c1[O-]	ZINC001242343880	983594487	/nfs/dbraw/zinc/59/44/87/983594487.db2.gz	GCXSQUQLFQVPIQ-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
Cc1cccc(-c2nccc(C)c2C#N)c1[O-]	ZINC001242343529	983595718	/nfs/dbraw/zinc/59/57/18/983595718.db2.gz	WREQQCDMPWOCCL-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
Cc1cccc(-c2ncc(F)cc2C#N)c1[O-]	ZINC001242344545	983597451	/nfs/dbraw/zinc/59/74/51/983597451.db2.gz	YRWASDGUXGBFFQ-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
C=C(C)CCC(=O)Nc1cccc(F)c1[O-]	ZINC001358476542	983875881	/nfs/dbraw/zinc/87/58/81/983875881.db2.gz	XVAOPKDNYOLLTL-UHFFFAOYSA-N	-1	1	223.247	2.826	20	30		BFEDMM
Cc1noc(C)c1/C=C\C(=O)c1ccc([O-])cc1	ZINC000212082396	984021236	/nfs/dbraw/zinc/02/12/36/984021236.db2.gz	WJXRQWXPFBLJAL-FPLPWBNLSA-N	-1	1	243.262	2.893	20	30		BFEDMM
N#CCc1cncc(-c2cccc([O-])c2Cl)n1	ZINC001242800204	984169680	/nfs/dbraw/zinc/16/96/80/984169680.db2.gz	FLRDARIHCVSTOZ-UHFFFAOYSA-N	-1	1	245.669	2.569	20	30		BFEDMM
N#CCc1ncc(-c2cccc([O-])c2Cl)cn1	ZINC001242800816	984172132	/nfs/dbraw/zinc/17/21/32/984172132.db2.gz	UFCIOHUVXWXRTO-UHFFFAOYSA-N	-1	1	245.669	2.569	20	30		BFEDMM
[O-]/N=C/c1ccc(-c2nccs2)cc1F	ZINC001242897500	984258535	/nfs/dbraw/zinc/25/85/35/984258535.db2.gz	CVTNBKUICBJIJE-AWNIVKPZSA-N	-1	1	222.244	2.757	20	30		BFEDMM
Cc1cc(-c2ccc(F)c([O-])c2)ncc1C#N	ZINC001243049466	984401384	/nfs/dbraw/zinc/40/13/84/984401384.db2.gz	ULYIRWUZXMYTQD-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
COc1cccc(-c2cc(/C=N/[O-])ccc2F)n1	ZINC001243097986	984530192	/nfs/dbraw/zinc/53/01/92/984530192.db2.gz	OLDDZNREXSJVBC-OVCLIPMQSA-N	-1	1	246.241	2.704	20	30		BFEDMM
Cc1cnc(-c2cccc([O-])c2F)c(C#N)c1	ZINC001243541528	985064235	/nfs/dbraw/zinc/06/42/35/985064235.db2.gz	CKEXGXYYACIJTA-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#CCc1cncc(-c2ccc(Cl)c([O-])c2)n1	ZINC001243578104	985132421	/nfs/dbraw/zinc/13/24/21/985132421.db2.gz	ALPPIFHQLWTYTF-UHFFFAOYSA-N	-1	1	245.669	2.569	20	30		BFEDMM
Cc1nocc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001243678025	985188663	/nfs/dbraw/zinc/18/86/63/985188663.db2.gz	NSEATHWSAOUEAO-WLRTZDKTSA-N	-1	1	220.203	2.597	20	30		BFEDMM
Cc1cc(-c2ncccc2C#N)cc([O-])c1F	ZINC001244496209	986202657	/nfs/dbraw/zinc/20/26/57/986202657.db2.gz	OPNFQGQGKNNMTL-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1cc(-c2nccc(F)c2C#N)cc([O-])c1F	ZINC001244508045	986220280	/nfs/dbraw/zinc/22/02/80/986220280.db2.gz	SOWNBLUBHIFPOB-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
Cc1cc(-c2cncc(F)c2C#N)cc([O-])c1F	ZINC001244521710	986225382	/nfs/dbraw/zinc/22/53/82/986225382.db2.gz	WTNJAOBDQIVGNG-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
N#Cc1ccc(-c2c(Cl)ccc([O-])c2F)nn1	ZINC001244539180	986235235	/nfs/dbraw/zinc/23/52/35/986235235.db2.gz	YHVMKXFAXHIHES-UHFFFAOYSA-N	-1	1	249.632	2.513	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2c(C)cccc2C)[n-]1	ZINC001245952146	987231511	/nfs/dbraw/zinc/23/15/11/987231511.db2.gz	QVDNPJJQANZTLS-UHFFFAOYSA-N	-1	1	240.306	2.761	20	30		BFEDMM
CC(=NOCC(C)C)c1c([O-])cccc1F	ZINC001262035472	992625002	/nfs/dbraw/zinc/62/50/02/992625002.db2.gz	KWGXUXMDXTUBFI-UHFFFAOYSA-N	-1	1	225.263	2.928	20	30		BFEDMM
C=CCN(C)C(=O)c1ccc2ccccc2c1[O-]	ZINC000162411856	349697225	/nfs/dbraw/zinc/69/72/25/349697225.db2.gz	DFJUELNBMSRKDA-UHFFFAOYSA-N	-1	1	241.290	2.803	20	30		BFEDMM
C=C(C)Cn1[n-]c2c(c1=O)C[C@H](C(C)C)CC2	ZINC000634603667	342996361	/nfs/dbraw/zinc/99/63/61/342996361.db2.gz	GONJILBCESAMKT-NEPJUHHUSA-N	-1	1	234.343	2.833	20	30		BFEDMM
CC[C@@H](C#N)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000593542487	347909585	/nfs/dbraw/zinc/90/95/85/347909585.db2.gz	UORJYTQSMCXXPQ-ZETCQYMHSA-N	-1	1	238.674	2.534	20	30		BFEDMM
C[C@@H](CC#N)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000597422914	348739642	/nfs/dbraw/zinc/73/96/42/348739642.db2.gz	YHBPBQMJQCSRQC-ZETCQYMHSA-N	-1	1	238.674	2.534	20	30		BFEDMM
C[C@H](CC#N)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000597422913	348739891	/nfs/dbraw/zinc/73/98/91/348739891.db2.gz	YHBPBQMJQCSRQC-SSDOTTSWSA-N	-1	1	238.674	2.534	20	30		BFEDMM
CC[C@@H](C)N(CC)C(=O)c1ccc(C#N)c([O-])c1	ZINC000597855905	348827136	/nfs/dbraw/zinc/82/71/36/348827136.db2.gz	MFBGBLAXZOEVRP-SNVBAGLBSA-N	-1	1	246.310	2.524	20	30		BFEDMM
N#Cc1cc(-c2cccc(O)c2)ccc1[O-]	ZINC000065341290	181080838	/nfs/dbraw/zinc/08/08/38/181080838.db2.gz	MHTISFASLPZFGI-UHFFFAOYSA-N	-1	1	211.220	2.636	20	30		BFEDMM
N#Cc1ccc(F)c(-c2ccc([O-])c(C#N)c2)c1	ZINC000065341418	181112825	/nfs/dbraw/zinc/11/28/25/181112825.db2.gz	QMYRPOHWCXGLNN-UHFFFAOYSA-N	-1	1	238.221	2.942	20	30		BFEDMM
C=CC(C)(C)C(=O)Nc1ccc([O-])c(F)c1F	ZINC000335219947	355059436	/nfs/dbraw/zinc/05/94/36/355059436.db2.gz	WEROOFRLPMLCTE-UHFFFAOYSA-N	-1	1	241.237	2.821	20	30		BFEDMM
Cc1nc(S[C@H]2CC[C@H](C#N)C2)[n-]c(=O)c1C	ZINC000450907162	202306206	/nfs/dbraw/zinc/30/62/06/202306206.db2.gz	QSTKXNCUJLCVAL-UWVGGRQHSA-N	-1	1	249.339	2.583	20	30		BFEDMM
C=CCCSc1nc(CC)c(C)c(=O)[n-]1	ZINC000566498766	326058930	/nfs/dbraw/zinc/05/89/30/326058930.db2.gz	NBCKWHFUYBTGKQ-UHFFFAOYSA-N	-1	1	224.329	2.721	20	30		BFEDMM
CCCc1c(C)[n-]n(-c2cccc(C#N)c2)c1=O	ZINC000603921577	369997777	/nfs/dbraw/zinc/99/77/77/369997777.db2.gz	XEPDMYXFHKAOOW-ZDUSSCGKSA-N	-1	1	241.294	2.697	20	30		BFEDMM
Cc1c(Cl)c[n-]c(=NOCC(C)C)c1C#N	ZINC000276185906	386283394	/nfs/dbraw/zinc/28/33/94/386283394.db2.gz	GAHFNKGFVCMIKD-UHFFFAOYSA-N	-1	1	239.706	2.915	20	30		BFEDMM
CCc1cc(=O)[n-]c(S[C@@H]2CC[C@@H](C#N)C2)n1	ZINC000336257120	387088005	/nfs/dbraw/zinc/08/80/05/387088005.db2.gz	FNHUAXRXEBZNMM-PSASIEDQSA-N	-1	1	249.339	2.529	20	30		BFEDMM
C[C@]1(NC(=O)c2ncccc2[O-])CC=CCC1	ZINC000331315246	135395273	/nfs/dbraw/zinc/39/52/73/135395273.db2.gz	CULKGOFTXZBTRL-ZDUSSCGKSA-N	-1	1	232.283	2.591	20	30		BFEDMM
C=C1CCN(Cc2cc(C(=O)[O-])oc2CC)CC1	ZINC000566360224	326037049	/nfs/dbraw/zinc/03/70/49/326037049.db2.gz	UZZBYEUOYYKTQW-UHFFFAOYSA-N	-1	1	249.310	2.692	20	30		BFEDMM
CCC#C[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1	ZINC000683454711	488165019	/nfs/dbraw/zinc/16/50/19/488165019.db2.gz	SKCOVHJANUBFHJ-VIFPVBQESA-N	-1	1	248.351	2.954	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)c1ccc(CC)cc1	ZINC000846551085	582658571	/nfs/dbraw/zinc/65/85/71/582658571.db2.gz	QVGUTXRQZVNLHQ-RYUDHWBXSA-N	-1	1	247.338	2.975	20	30		BFEDMM
C=CCCO[N-]C(=O)[C@H](C)c1cccc(C)c1	ZINC000856032864	588857118	/nfs/dbraw/zinc/85/71/18/588857118.db2.gz	VNVSBFHPIZNFCL-GFCCVEGCSA-N	-1	1	233.311	2.722	20	30		BFEDMM
C=CCCC[C@@H](C)Nc1cc(Cl)[n-]c(=O)n1	ZINC000858468679	588958173	/nfs/dbraw/zinc/95/81/73/588958173.db2.gz	KZHXKDSGYTXVAW-MRVPVSSYSA-N	-1	1	241.722	2.992	20	30		BFEDMM
C=CC[C@H](CC)Nc1cc(Cl)[n-]c(=O)n1	ZINC000858528437	588962926	/nfs/dbraw/zinc/96/29/26/588962926.db2.gz	GPSFLUVVOMJKAC-ZETCQYMHSA-N	-1	1	227.695	2.602	20	30		BFEDMM
C=C[C@@H](C)ON=Cc1c(C)ccc(F)c1[O-]	ZINC000901262418	584417403	/nfs/dbraw/zinc/41/74/03/584417403.db2.gz	XAAXFAHAPDNAEY-SECBINFHSA-N	-1	1	223.247	2.765	20	30		BFEDMM
CC(=NOC(C)C)c1ccc([O-])c(F)c1	ZINC000835000601	584917155	/nfs/dbraw/zinc/91/71/55/584917155.db2.gz	OLZCAZAKKCBISK-UHFFFAOYSA-N	-1	1	211.236	2.680	20	30		BFEDMM
CC(=NOCC(C)C)c1ccc(F)cc1[O-]	ZINC000749630991	585204499	/nfs/dbraw/zinc/20/44/99/585204499.db2.gz	FGGQXLWZDBOXTM-UHFFFAOYSA-N	-1	1	225.263	2.928	20	30		BFEDMM
Cc1cc(C(=O)/C=C/c2ccc([O-])c(F)c2)no1	ZINC000752876477	585250749	/nfs/dbraw/zinc/25/07/49/585250749.db2.gz	LDSDVTBMQQMKTI-HWKANZROSA-N	-1	1	247.225	2.724	20	30		BFEDMM
[O-]c1ccc(C=NOC2CCCC2)cc1F	ZINC000774602254	585661832	/nfs/dbraw/zinc/66/18/32/585661832.db2.gz	GUWOEQRBYHCNTM-UHFFFAOYSA-N	-1	1	223.247	2.824	20	30		BFEDMM
CCON=Cc1c([O-])ccc(Cl)c1F	ZINC000790155816	585958764	/nfs/dbraw/zinc/95/87/64/585958764.db2.gz	SJSNHFXSQMMHDO-UHFFFAOYSA-N	-1	1	217.627	2.555	20	30		BFEDMM
C=C(C)CCOC(=O)c1c([O-])cc(F)cc1F	ZINC000803322292	586344348	/nfs/dbraw/zinc/34/43/48/586344348.db2.gz	ZYIZOLSRLIBTGQ-UHFFFAOYSA-N	-1	1	242.221	2.793	20	30		BFEDMM
CCCON=C(C)c1ccc([O-])c(F)c1	ZINC000842558511	586490786	/nfs/dbraw/zinc/49/07/86/586490786.db2.gz	XZYNVVSMOVDWEW-UHFFFAOYSA-N	-1	1	211.236	2.682	20	30		BFEDMM
[O-]c1c(F)cccc1C=NOC/C=C/Cl	ZINC000811672438	586565916	/nfs/dbraw/zinc/56/59/16/586565916.db2.gz	YZHLFBIZXMMVQT-UDZNDURXSA-N	-1	1	229.638	2.634	20	30		BFEDMM
[O-]c1ccc(C=NOC2CCC2)cc1Cl	ZINC000812235446	586571571	/nfs/dbraw/zinc/57/15/71/586571571.db2.gz	GZCIAVMLTRCORI-UHFFFAOYSA-N	-1	1	225.675	2.949	20	30		BFEDMM
[O-]c1cccc(C=NNc2ccccn2)c1Cl	ZINC000814732011	586631241	/nfs/dbraw/zinc/63/12/41/586631241.db2.gz	TZJNZYLSWVVYOE-UHFFFAOYSA-N	-1	1	247.685	2.887	20	30		BFEDMM
CCCNN=Cc1cc(Cl)c(F)cc1[O-]	ZINC000814804610	586635877	/nfs/dbraw/zinc/63/58/77/586635877.db2.gz	XITOAFRCKHUKKH-UHFFFAOYSA-N	-1	1	230.670	2.518	20	30		BFEDMM
C=CC(C)(C)CCCNC(=O)c1cncc([O-])c1	ZINC000832719131	587679583	/nfs/dbraw/zinc/67/95/83/587679583.db2.gz	YBEPNCXDLNKNPP-UHFFFAOYSA-N	-1	1	248.326	2.509	20	30		BFEDMM
CC(=NOC(C)C)c1ccc(F)cc1[O-]	ZINC000835001229	587776830	/nfs/dbraw/zinc/77/68/30/587776830.db2.gz	WMAVBWPROFMBMF-UHFFFAOYSA-N	-1	1	211.236	2.680	20	30		BFEDMM
CC(=NNC1CC1)c1ccc(Cl)cc1[O-]	ZINC000841632270	587962290	/nfs/dbraw/zinc/96/22/90/587962290.db2.gz	NPJCCOKFEZDXQZ-UHFFFAOYSA-N	-1	1	224.691	2.522	20	30		BFEDMM
C=C(C)CO[N-]C(=O)[C@@]1(C)C[C@@H]1c1ccccc1	ZINC000846533885	588270562	/nfs/dbraw/zinc/27/05/62/588270562.db2.gz	HBBBVTXUKNYKCW-HIFRSBDPSA-N	-1	1	245.322	2.804	20	30		BFEDMM
C#CCCCSc1nc(C)c(C2CC2)c(=O)[n-]1	ZINC000865373444	589427829	/nfs/dbraw/zinc/42/78/29/589427829.db2.gz	UZWVCNAWLGPCHI-UHFFFAOYSA-N	-1	1	248.351	2.874	20	30		BFEDMM
CC[C@H](C)NN=C(C)c1c([O-])cccc1F	ZINC000884454707	591939746	/nfs/dbraw/zinc/93/97/46/591939746.db2.gz	UVUGNBCOGKEMFV-QMMMGPOBSA-N	-1	1	224.279	2.643	20	30		BFEDMM
Cc1ccc([O-])c(C(=O)/C=C\c2cccnc2)c1	ZINC000255725468	632704694	/nfs/dbraw/zinc/70/46/94/632704694.db2.gz	BKYHOVVEOMGULB-ALCCZGGFSA-N	-1	1	239.274	2.992	20	30		BFEDMM
CCCCCCCC(=O)[N-]OCC(F)(F)F	ZINC000168886530	633153475	/nfs/dbraw/zinc/15/34/75/633153475.db2.gz	TURVEYADZCONIT-UHFFFAOYSA-N	-1	1	241.253	2.957	20	30		BFEDMM
C=C[C@H]1CCCCN1Cc1cc(C(=O)[O-])oc1C	ZINC000902545088	637308330	/nfs/dbraw/zinc/30/83/30/637308330.db2.gz	PRETVTCJNJLGMD-LBPRGKRZSA-N	-1	1	249.310	2.827	20	30		BFEDMM
[O-]c1ccc(C=NOCCC2CC2)cc1F	ZINC000814246527	644942043	/nfs/dbraw/zinc/94/20/43/644942043.db2.gz	QLHSIBAMEGKPOZ-UHFFFAOYSA-N	-1	1	223.247	2.682	20	30		BFEDMM
CC(C)ON=Cc1c([O-])ccc(Cl)c1F	ZINC000835003356	645157365	/nfs/dbraw/zinc/15/73/65/645157365.db2.gz	SJVAHWYGKKVJFY-UHFFFAOYSA-N	-1	1	231.654	2.944	20	30		BFEDMM
CC(C)ON=Cc1ccc([O-])c(Cl)c1	ZINC000835003972	645159484	/nfs/dbraw/zinc/15/94/84/645159484.db2.gz	DMLKJNWIPNYQCS-UHFFFAOYSA-N	-1	1	213.664	2.805	20	30		BFEDMM
C=C1CCN(Cc2cc(C(=O)[O-])cs2)CC1	ZINC000711405636	712297751	/nfs/dbraw/zinc/29/77/51/712297751.db2.gz	AWIYFZMIEYQPHK-UHFFFAOYSA-N	-1	1	237.324	2.598	20	30		BFEDMM
C=C[C@H](C)Oc1cc([O-])ccc1C(C)=O	ZINC001225616553	962430676	/nfs/dbraw/zinc/43/06/76/962430676.db2.gz	LOJLABDEQKBJMO-QMMMGPOBSA-N	-1	1	206.241	2.548	20	30		BFEDMM
C=C(C)CCC(=O)Nc1cc([O-])c(F)cc1F	ZINC001335952234	977380919	/nfs/dbraw/zinc/38/09/19/977380919.db2.gz	QNJUOZZFMGUPEA-UHFFFAOYSA-N	-1	1	241.237	2.965	20	30		BFEDMM
COc1cc(-c2cccc(/C=N/[O-])c2)cnc1F	ZINC001245079125	971620334	/nfs/dbraw/zinc/62/03/34/971620334.db2.gz	LQMNQJWXUOBQDL-FRKPEAEDSA-N	-1	1	246.241	2.704	20	30		BFEDMM
C=CCN(C(=O)c1ccc(F)c([O-])c1)C(C)C	ZINC001136682642	972234934	/nfs/dbraw/zinc/23/49/34/972234934.db2.gz	DFXXJVGQCWZLBP-UHFFFAOYSA-N	-1	1	237.274	2.568	20	30		BFEDMM
C=C[C@H](CCCCCCC)OCc1nn[n-]n1	ZINC001223026667	960931318	/nfs/dbraw/zinc/93/13/18/960931318.db2.gz	FLNFGLBAIUYYTF-LLVKDONJSA-N	-1	1	238.335	2.631	20	30		BFEDMM
CCCCCCCC[C@H](C)OCc1nn[n-]n1	ZINC001223027008	960946437	/nfs/dbraw/zinc/94/64/37/960946437.db2.gz	LJSBEHDKWIRWRA-NSHDSACASA-N	-1	1	240.351	2.855	20	30		BFEDMM
C=C(C)CCC(=O)Nc1nc(Cl)ccc1[O-]	ZINC001161179347	964542385	/nfs/dbraw/zinc/54/23/85/964542385.db2.gz	KYLYXTALDARKAB-UHFFFAOYSA-N	-1	1	240.690	2.735	20	30		BFEDMM
C#CCN(C)Cc1c([O-])ccc(Cl)c1Cl	ZINC001237081993	966641847	/nfs/dbraw/zinc/64/18/47/966641847.db2.gz	PBOZZSGNVFKHJL-UHFFFAOYSA-N	-1	1	244.121	2.764	20	30		BFEDMM
N#Cc1cc(Cc2ccccc2C#N)ccc1[O-]	ZINC001250046586	967304782	/nfs/dbraw/zinc/30/47/82/967304782.db2.gz	ZPJWQTVRAMNYIG-UHFFFAOYSA-N	-1	1	234.258	2.726	20	30		BFEDMM
Cc1ccc([O-])c(-c2ccc(C#N)cn2)c1	ZINC001250461995	967886367	/nfs/dbraw/zinc/88/63/67/967886367.db2.gz	FNUKPOVFWMMNGE-UHFFFAOYSA-N	-1	1	210.236	2.634	20	30		BFEDMM
Cc1nc(-c2ccc([O-])cc2F)ccc1C#N	ZINC001206037344	967994916	/nfs/dbraw/zinc/99/49/16/967994916.db2.gz	GASXYENGZSMESS-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#CCc1ccc(-c2c(F)cc([O-])cc2F)cn1	ZINC001241120638	968932289	/nfs/dbraw/zinc/93/22/89/968932289.db2.gz	DOCDIXFLAPKOKH-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1ccncc1F	ZINC001241229741	968958609	/nfs/dbraw/zinc/95/86/09/968958609.db2.gz	GWSCGEMSMURTMU-UHFFFAOYSA-N	-1	1	216.215	2.696	20	30		BFEDMM
N#Cc1ccc(Nc2ccc(F)c(F)c2[O-])cn1	ZINC001209647365	969572557	/nfs/dbraw/zinc/57/25/57/969572557.db2.gz	WLGYNOWGBQZSJK-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
N#Cc1cncc(Nc2cc(F)c([O-])c(F)c2)c1	ZINC001210086783	969793611	/nfs/dbraw/zinc/79/36/11/969793611.db2.gz	VBQCJRYVKYEFQF-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
N#Cc1ccc(Cl)nc1[N-]c1nccs1	ZINC001210991238	970106585	/nfs/dbraw/zinc/10/65/85/970106585.db2.gz	XGWSXSKJUDSNCB-UHFFFAOYSA-N	-1	1	236.687	2.807	20	30		BFEDMM
N#Cc1cnc(-c2ccc(F)c([O-])c2)c(F)c1	ZINC001243046212	970201190	/nfs/dbraw/zinc/20/11/90/970201190.db2.gz	CFMOEFYRGGQWDT-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#CCc1ccncc1-c1cc(F)c([O-])cc1F	ZINC001211360417	970251287	/nfs/dbraw/zinc/25/12/87/970251287.db2.gz	UNSANEOPSSKPBO-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
C=CCN(C(=O)c1ccc([O-])cc1F)C(C)C	ZINC000232385936	973076740	/nfs/dbraw/zinc/07/67/40/973076740.db2.gz	YXGGZQLHMMFBMT-UHFFFAOYSA-N	-1	1	237.274	2.568	20	30		BFEDMM
C[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)C1CC1	ZINC001223888488	973324316	/nfs/dbraw/zinc/32/43/16/973324316.db2.gz	KKARDCMPQUKTHN-KRLYBJLDSA-N	-1	1	241.237	2.916	20	30		BFEDMM
C=CC(C=C)Oc1cc([O-])ccc1C(C)=O	ZINC001225617974	974597894	/nfs/dbraw/zinc/59/78/94/974597894.db2.gz	BHTQZFJLONQIRT-UHFFFAOYSA-N	-1	1	218.252	2.714	20	30		BFEDMM
C=C[C@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12	ZINC001226490222	974927000	/nfs/dbraw/zinc/92/70/00/974927000.db2.gz	PNUDMPXREIVQBT-VIFPVBQESA-N	-1	1	246.262	2.760	20	30		BFEDMM
Cc1nocc1[N-]c1ncc(C#N)cc1Cl	ZINC001212717476	975105285	/nfs/dbraw/zinc/10/52/85/975105285.db2.gz	HMNKQHIXGGTUTA-UHFFFAOYSA-N	-1	1	234.646	2.647	20	30		BFEDMM
C=CCc1c([O-])ccc(C(C)=O)c1OC1CC1	ZINC001227120430	975285470	/nfs/dbraw/zinc/28/54/70/975285470.db2.gz	LBVIFRXYRQBMPX-UHFFFAOYSA-N	-1	1	232.279	2.865	20	30		BFEDMM
C[C@H]1CCC[C@H]1Oc1ccc([O-])c(C#N)c1C#N	ZINC001227615146	975582102	/nfs/dbraw/zinc/58/21/02/975582102.db2.gz	RGAPRMJXCLJFDS-TVQRCGJNSA-N	-1	1	242.278	2.703	20	30		BFEDMM
C=CC[C@H](C=C)Oc1cc([O-])ccc1C#N	ZINC001228007566	975844732	/nfs/dbraw/zinc/84/47/32/975844732.db2.gz	SAVIMPBWTJOBAZ-LBPRGKRZSA-N	-1	1	215.252	2.773	20	30		BFEDMM
C[C@H]1CCC[C@@H]1Oc1cc([O-])ccc1C#N	ZINC001228005255	975847584	/nfs/dbraw/zinc/84/75/84/975847584.db2.gz	KAYYADJSNQKJDT-CABZTGNLSA-N	-1	1	217.268	2.831	20	30		BFEDMM
C[C@H](Oc1cc([O-])ccc1C#N)c1nccs1	ZINC001228006461	975847772	/nfs/dbraw/zinc/84/77/72/975847772.db2.gz	CBDWJLQUAFNXGK-QMMMGPOBSA-N	-1	1	246.291	2.860	20	30		BFEDMM
C#CC[C@H](C)Oc1cc([O-])ccc1C(=O)CC	ZINC001229474941	976876800	/nfs/dbraw/zinc/87/68/00/976876800.db2.gz	MWKNSRUNBFYLTL-JTQLQIEISA-N	-1	1	232.279	2.776	20	30		BFEDMM
CCOC[C@@H](C)Oc1ccccc1/C(C)=N/[O-]	ZINC001229736646	976970153	/nfs/dbraw/zinc/97/01/53/976970153.db2.gz	GEDGHEOABBAEGP-PIYPRNMZSA-N	-1	1	237.299	2.689	20	30		BFEDMM
C/C(=N\[O-])c1ccccc1O[C@@H]1CC[C@@H](C#N)C1	ZINC001229742420	976977130	/nfs/dbraw/zinc/97/71/30/976977130.db2.gz	ZXKUPFDABOOHJN-DYBVGFEPSA-N	-1	1	244.294	2.956	20	30		BFEDMM
C#C[C@@H](CCC)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229754590	976980148	/nfs/dbraw/zinc/98/01/48/976980148.db2.gz	QWFIWJSJULCFIO-JTQLQIEISA-N	-1	1	249.266	2.790	20	30		BFEDMM
C=C[C@H](C)Oc1cccnc1-c1ncccc1[O-]	ZINC001231201103	977535820	/nfs/dbraw/zinc/53/58/20/977535820.db2.gz	WXTXUOGNDCHRMW-JTQLQIEISA-N	-1	1	242.278	2.803	20	30		BFEDMM
N#Cc1cc(F)cc([N-]c2nonc2C2CC2)c1	ZINC001175682611	977653530	/nfs/dbraw/zinc/65/35/30/977653530.db2.gz	QKMBVZWUZMCBQT-UHFFFAOYSA-N	-1	1	244.229	2.701	20	30		BFEDMM
C/C=C(C)/C=C/C(=O)Nc1ccc(C#N)cc1[O-]	ZINC001178512315	978581905	/nfs/dbraw/zinc/58/19/05/978581905.db2.gz	HQDHWXYADZTVLH-HVXBLDCGSA-N	-1	1	242.278	2.725	20	30		BFEDMM
C#CC[C@@H](CC)Oc1ccccc1C=N[O-]	ZINC001234819289	978905578	/nfs/dbraw/zinc/90/55/78/978905578.db2.gz	JVYLKIICYQYGHZ-GFCCVEGCSA-N	-1	1	217.268	2.675	20	30		BFEDMM
CCC(=O)[C@@H](CC)Oc1ccccc1C=N[O-]	ZINC001234820486	978906648	/nfs/dbraw/zinc/90/66/48/978906648.db2.gz	WKWJKBNELCEBKK-GFCCVEGCSA-N	-1	1	235.283	2.631	20	30		BFEDMM
C#C[C@H](Oc1ccccc1C=N[O-])C(C)C	ZINC001234818987	978906840	/nfs/dbraw/zinc/90/68/40/978906840.db2.gz	GFSXHXOIJIAOIQ-LBPRGKRZSA-N	-1	1	217.268	2.531	20	30		BFEDMM
C#C[C@@H](CCC)Oc1ccccc1C=N[O-]	ZINC001234818854	978907770	/nfs/dbraw/zinc/90/77/70/978907770.db2.gz	FSDZJKKWWXEJSX-LBPRGKRZSA-N	-1	1	217.268	2.675	20	30		BFEDMM
COC1=CC[C@H](Oc2ccccc2C=N[O-])CC1	ZINC001234819725	978908564	/nfs/dbraw/zinc/90/85/64/978908564.db2.gz	OHERFMZWARVMGZ-ZDUSSCGKSA-N	-1	1	247.294	2.956	20	30		BFEDMM
C[C@@H](Oc1ccccc1C=N[O-])C1CCOCC1	ZINC001234823770	978911485	/nfs/dbraw/zinc/91/14/85/978911485.db2.gz	YJAGKSXHNDEFGL-LLVKDONJSA-N	-1	1	249.310	2.689	20	30		BFEDMM
CC#C[C@H](CC)Oc1nc2sccc2[n-]1	ZINC001234848637	978917496	/nfs/dbraw/zinc/91/74/96/978917496.db2.gz	RRRGCAKTJMIJLV-QMMMGPOBSA-N	-1	1	220.297	2.805	20	30		BFEDMM
Cc1ccc(F)c(-c2ncccc2CC#N)c1[O-]	ZINC001236388901	979574450	/nfs/dbraw/zinc/57/44/50/979574450.db2.gz	AMHBLOHQAGESCK-UHFFFAOYSA-N	-1	1	242.253	2.968	20	30		BFEDMM
CN(CC#N)Cc1c([O-])ccc(Cl)c1Cl	ZINC001237081886	979813872	/nfs/dbraw/zinc/81/38/72/979813872.db2.gz	OBHWRJBIJPRUHQ-UHFFFAOYSA-N	-1	1	245.109	2.654	20	30		BFEDMM
CNc1ccc(-c2ccccc2C=N[O-])c(F)n1	ZINC001239436818	980573331	/nfs/dbraw/zinc/57/33/31/980573331.db2.gz	WOGBSAZMYUYRLK-UHFFFAOYSA-N	-1	1	245.257	2.738	20	30		BFEDMM
CNc1ccc(-c2cccc(/C=N/[O-])c2)c(F)n1	ZINC001239428969	980573575	/nfs/dbraw/zinc/57/35/75/980573575.db2.gz	NSEYZGFGEDXIKM-LZYBPNLTSA-N	-1	1	245.257	2.738	20	30		BFEDMM
C=CCC1(S(=O)(=O)[N-]c2cccs2)CC1	ZINC001190766859	980923320	/nfs/dbraw/zinc/92/33/20/980923320.db2.gz	YWYGJPOYCCYKSN-UHFFFAOYSA-N	-1	1	243.353	2.599	20	30		BFEDMM
COc1cncc(-c2ccc(/C=N/[O-])c(F)c2)c1	ZINC001239932671	981042550	/nfs/dbraw/zinc/04/25/50/981042550.db2.gz	ZVGWXZAGIGMKCN-FRKPEAEDSA-N	-1	1	246.241	2.704	20	30		BFEDMM
C=C(C)CO[N-]C(=O)C12CCC(CC1)C2(C)C	ZINC001347716526	981152634	/nfs/dbraw/zinc/15/26/34/981152634.db2.gz	KRZFHPAKRNQFOH-UHFFFAOYSA-N	-1	1	237.343	2.827	20	30		BFEDMM
[O-]/N=C/c1cccc(-c2cncc(F)c2)c1	ZINC001240235784	981196736	/nfs/dbraw/zinc/19/67/36/981196736.db2.gz	BYLBJWGGYWONKF-GIDUJCDVSA-N	-1	1	216.215	2.696	20	30		BFEDMM
COc1cc(-c2cc(/C=N/[O-])ccc2F)ccn1	ZINC001240260841	981236836	/nfs/dbraw/zinc/23/68/36/981236836.db2.gz	ZXZPIEXUHCVCQC-LZYBPNLTSA-N	-1	1	246.241	2.704	20	30		BFEDMM
CC(C)CCOC(=O)Nc1c([O-])cccc1C#N	ZINC001194879829	981948922	/nfs/dbraw/zinc/94/89/22/981948922.db2.gz	GWPUQOJOTMUKLM-UHFFFAOYSA-N	-1	1	248.282	2.858	20	30		BFEDMM
Cc1cc(-c2ccccc2[O-])nc(C)c1C#N	ZINC001241009490	982102364	/nfs/dbraw/zinc/10/23/64/982102364.db2.gz	SGZMXPLSCOZOGR-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
Cc1ccc(-c2nccc(C#N)c2F)c([O-])c1	ZINC001241030630	982127798	/nfs/dbraw/zinc/12/77/98/982127798.db2.gz	PRUVAHTXPMLEER-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1cc(-c2cc([O-])cc(F)c2)ncc1C#N	ZINC001241255691	982391755	/nfs/dbraw/zinc/39/17/55/982391755.db2.gz	AGWWSSYWESORBQ-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1cnc(-c2cc([O-])cc(F)c2)c(C#N)c1	ZINC001241257153	982395483	/nfs/dbraw/zinc/39/54/83/982395483.db2.gz	GIRNJDQQSZNYKJ-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1ccnc(C#N)c1-c1cc([O-])cc(F)c1	ZINC001241283567	982426505	/nfs/dbraw/zinc/42/65/05/982426505.db2.gz	VKBZBJZWOZRBCB-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)C1(C)C(C)(C)C1(C)C	ZINC001300213287	982734114	/nfs/dbraw/zinc/73/41/14/982734114.db2.gz	OBSOTXZMJCCMIT-SECBINFHSA-N	-1	1	225.332	2.681	20	30		BFEDMM
[O-]/N=C/c1ccc(F)c(-c2cnn(C3CC3)c2)c1	ZINC001241909558	983124176	/nfs/dbraw/zinc/12/41/76/983124176.db2.gz	MSQLWCMCPGZHDY-OMCISZLKSA-N	-1	1	245.257	2.832	20	30		BFEDMM
C#C[C@](C)(CC)N[C@H](C(=O)[O-])c1ccccc1C	ZINC001588367043	983297057	/nfs/dbraw/zinc/29/70/57/983297057.db2.gz	HNSVJJZMIFIUPX-DZGCQCFKSA-N	-1	1	245.322	2.512	20	30		BFEDMM
COc1cnc(-c2cccc(C)c2[O-])c(C#N)c1	ZINC001242344469	983597294	/nfs/dbraw/zinc/59/72/94/983597294.db2.gz	WZYFDSWDHNOZAX-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
COc1nc(-c2cccc(C)c2[O-])ccc1C#N	ZINC001242344991	983597900	/nfs/dbraw/zinc/59/79/00/983597900.db2.gz	ZJKPXTYWPQGBSR-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
CC(=O)c1ccc(-c2ccccc2C=N[O-])cn1	ZINC001242403617	983688287	/nfs/dbraw/zinc/68/82/87/983688287.db2.gz	HUJLCZBHCYLEMS-UHFFFAOYSA-N	-1	1	240.262	2.759	20	30		BFEDMM
C=C[C@H]1CCCCN1Cc1cc(C)c(C(=O)[O-])[nH]1	ZINC001588719123	983959082	/nfs/dbraw/zinc/95/90/82/983959082.db2.gz	LLKNHUQTCRBRPI-LBPRGKRZSA-N	-1	1	248.326	2.562	20	30		BFEDMM
N#CCc1nccnc1-c1cccc([O-])c1Cl	ZINC001242798347	984167007	/nfs/dbraw/zinc/16/70/07/984167007.db2.gz	SXCSATCNUIWBPU-UHFFFAOYSA-N	-1	1	245.669	2.569	20	30		BFEDMM
C=C/C(=N\COC)c1cccc([O-])c1Cl	ZINC001242800453	984170203	/nfs/dbraw/zinc/17/02/03/984170203.db2.gz	HIZFWASFXHZVLQ-UKTHLTGXSA-N	-1	1	225.675	2.625	20	30		BFEDMM
Cc1ccnc(C#N)c1-c1ccc(F)c([O-])c1	ZINC001243049789	984400949	/nfs/dbraw/zinc/40/09/49/984400949.db2.gz	FVWGUVSOVPTMQG-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
C=CC[C@@H](CC)NC(=O)c1ccc(F)c([O-])c1	ZINC001448564259	984816573	/nfs/dbraw/zinc/81/65/73/984816573.db2.gz	IFBKBZJUCNNLTM-SNVBAGLBSA-N	-1	1	237.274	2.616	20	30		BFEDMM
N#Cc1c(F)cncc1-c1cccc([O-])c1F	ZINC001243547218	985100660	/nfs/dbraw/zinc/10/06/60/985100660.db2.gz	NQTCERVRGVJULX-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1ccnc(C#N)c1-c1cccc([O-])c1F	ZINC001243548377	985102872	/nfs/dbraw/zinc/10/28/72/985102872.db2.gz	CEVXDJIBTKOKDR-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1ccc([O-])c(-c2nccc(C)c2C#N)c1	ZINC001244401484	986060540	/nfs/dbraw/zinc/06/05/40/986060540.db2.gz	DLOJMWUFYPLPJG-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
Cc1cc(-c2ncc(C#N)cc2F)cc([O-])c1F	ZINC001244506688	986203364	/nfs/dbraw/zinc/20/33/64/986203364.db2.gz	GLHRQHFODGOINX-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
C=C/C(=N\COC)c1c(Cl)ccc([O-])c1F	ZINC001244540782	986241591	/nfs/dbraw/zinc/24/15/91/986241591.db2.gz	QWVCEPBXWLUEES-RIYZIHGNSA-N	-1	1	243.665	2.764	20	30		BFEDMM
C=CCCCCCN(C)C(=O)c1ccc([O-])cn1	ZINC001465308432	986708090	/nfs/dbraw/zinc/70/80/90/986708090.db2.gz	IBTHSUAYUCMUQP-UHFFFAOYSA-N	-1	1	248.326	2.606	20	30		BFEDMM
C=CCC1(C(=O)Nc2c[n-][nH]c2=O)CCCCC1	ZINC001472570997	987247713	/nfs/dbraw/zinc/24/77/13/987247713.db2.gz	YDNJSCKCOVOYFY-UHFFFAOYSA-N	-1	1	249.314	2.580	20	30		BFEDMM
CC(=NOC(C)C)c1c([O-])cccc1F	ZINC001119298411	988897635	/nfs/dbraw/zinc/89/76/35/988897635.db2.gz	ANBJXGUVTMVODP-UHFFFAOYSA-N	-1	1	211.236	2.680	20	30		BFEDMM
C=CCN(CC=C)Cc1[nH]c(C)c(C(=O)[O-])c1C	ZINC001140496281	991655034	/nfs/dbraw/zinc/65/50/34/991655034.db2.gz	YRQNPUMOOUYXNN-UHFFFAOYSA-N	-1	1	248.326	2.504	20	30		BFEDMM
O=C(/C=C\c1ccc(O)cc1)c1ccc([O-])cc1	ZINC000013542553	290773508	/nfs/dbraw/zinc/77/35/08/290773508.db2.gz	FZQLEXXZAVVCCA-KMKOMSMNSA-N	-1	1	240.258	2.994	20	30	biogenic,in-vitro	BFEDMM
CCC[C@H](CC)NC(=O)c1cc([O-])cc(C#N)c1	ZINC000589173351	346668902	/nfs/dbraw/zinc/66/89/02/346668902.db2.gz	ZTHJXBLZECBDFE-LBPRGKRZSA-N	-1	1	246.310	2.572	20	30		BFEDMM
C=CCCN(C)C(=O)c1cc(Cl)ccc1[O-]	ZINC000276184743	166254604	/nfs/dbraw/zinc/25/46/04/166254604.db2.gz	VSGAXZORGZTISB-UHFFFAOYSA-N	-1	1	239.702	2.694	20	30		BFEDMM
N#Cc1[n-]c(=NC2CCCCC2)sc1Cl	ZINC000596047881	348429508	/nfs/dbraw/zinc/42/95/08/348429508.db2.gz	CAHQMJIGHWKFHZ-UHFFFAOYSA-N	-1	1	241.747	2.835	20	30		BFEDMM
CCC[C@H](C)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596068157	348437203	/nfs/dbraw/zinc/43/72/03/348437203.db2.gz	DREPFLXTJJXUOT-LURJTMIESA-N	-1	1	229.736	2.691	20	30		BFEDMM
CC[C@@H](C)[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596088232	348443629	/nfs/dbraw/zinc/44/36/29/348443629.db2.gz	MZRLYSOMUWLIDX-RNFRBKRXSA-N	-1	1	243.763	2.937	20	30		BFEDMM
CC[C@H](C)[C@H](C)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596088230	348443719	/nfs/dbraw/zinc/44/37/19/348443719.db2.gz	MZRLYSOMUWLIDX-BQBZGAKWSA-N	-1	1	243.763	2.937	20	30		BFEDMM
C[C@@H](CC#N)c1nc(-c2ccc([O-])c(F)c2)no1	ZINC000596593892	348588589	/nfs/dbraw/zinc/58/85/89/348588589.db2.gz	TVOYHGMVKRUIKM-ZETCQYMHSA-N	-1	1	247.229	2.598	20	30		BFEDMM
Cc1nc(S[C@@H](C)CCC#N)[n-]c(=O)c1C	ZINC000331330324	353241062	/nfs/dbraw/zinc/24/10/62/353241062.db2.gz	HJFCBIPLCOHCLH-ZETCQYMHSA-N	-1	1	237.328	2.583	20	30		BFEDMM
CC(C)CON=c1ccc(Cl)c(C#N)[n-]1	ZINC000276226902	188201671	/nfs/dbraw/zinc/20/16/71/188201671.db2.gz	MWEVJVMRCIEBDI-UHFFFAOYSA-N	-1	1	225.679	2.606	20	30		BFEDMM
C=C(C)CCSc1nc(CC)cc(=O)[n-]1	ZINC000349854792	355497446	/nfs/dbraw/zinc/49/74/46/355497446.db2.gz	RBXMACHQMAJPSN-UHFFFAOYSA-N	-1	1	224.329	2.803	20	30		BFEDMM
C=C(CC)CN=c1[n-]c(C(F)(F)F)cs1	ZINC000450914611	202307505	/nfs/dbraw/zinc/30/75/05/202307505.db2.gz	PQHFMNYZTMHKEK-UHFFFAOYSA-N	-1	1	236.262	2.962	20	30		BFEDMM
CCC[C@@H](C)N(C)C(=O)c1cc([O-])cc(C#N)c1	ZINC000614295538	363783186	/nfs/dbraw/zinc/78/31/86/363783186.db2.gz	WDODHKXLXINWJK-SNVBAGLBSA-N	-1	1	246.310	2.524	20	30		BFEDMM
CCCC(C)(C)NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188455036	384957582	/nfs/dbraw/zinc/95/75/82/384957582.db2.gz	UYASACRSSYELNO-UHFFFAOYSA-N	-1	1	246.310	2.572	20	30		BFEDMM
C=CCCSc1nc(C2CC2)cc(=O)[n-]1	ZINC000195083071	388096486	/nfs/dbraw/zinc/09/64/86/388096486.db2.gz	CUCBJRQMESZCLZ-UHFFFAOYSA-N	-1	1	222.313	2.728	20	30		BFEDMM
C=CCC[C@H](C(=O)[N-]OCC)c1ccccc1	ZINC000187789877	133449702	/nfs/dbraw/zinc/44/97/02/133449702.db2.gz	SQQWEWXHXYQBRZ-ZDUSSCGKSA-N	-1	1	233.311	2.804	20	30		BFEDMM
CCCc1cc(=O)[n-]c(SCC2(C#N)CC2)n1	ZINC000331993535	135071196	/nfs/dbraw/zinc/07/11/96/135071196.db2.gz	QNMANOOUKPGMJD-UHFFFAOYSA-N	-1	1	249.339	2.531	20	30		BFEDMM
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(=O)[O-])co1	ZINC000659802559	411458976	/nfs/dbraw/zinc/45/89/76/411458976.db2.gz	YKCSHVDTYQUKKX-TXEJJXNPSA-N	-1	1	247.294	2.661	20	30		BFEDMM
C=CC1CCN(C(=O)c2ccc([O-])c(F)c2)CC1	ZINC000681045788	487704097	/nfs/dbraw/zinc/70/40/97/487704097.db2.gz	XNMPOPDMZMGFTA-UHFFFAOYSA-N	-1	1	249.285	2.570	20	30		BFEDMM
N#Cc1ccsc1C(=O)Nc1ccccc1[O-]	ZINC000052147505	323192474	/nfs/dbraw/zinc/19/24/74/323192474.db2.gz	HRJSSBBVVAYIKO-UHFFFAOYSA-N	-1	1	244.275	2.578	20	30		BFEDMM
C=C1CCN(Cc2ccsc2C(=O)[O-])CC1	ZINC000382479911	487543969	/nfs/dbraw/zinc/54/39/69/487543969.db2.gz	NDYUMQJUXMGLRV-UHFFFAOYSA-N	-1	1	237.324	2.598	20	30		BFEDMM
C=C(CC)CN1Cc2ccc(C(=O)[O-])cc2C1	ZINC000131266329	490627319	/nfs/dbraw/zinc/62/73/19/490627319.db2.gz	AYBFXHCERFRFCB-UHFFFAOYSA-N	-1	1	231.295	2.667	20	30		BFEDMM
C=C[C@@H]1CCCCN1C(=O)c1ccc([O-])cc1F	ZINC000336157692	534555262	/nfs/dbraw/zinc/55/52/62/534555262.db2.gz	XKPCNEXXVKJFMK-SNVBAGLBSA-N	-1	1	249.285	2.712	20	30		BFEDMM
C[C@@H](NN=Cc1cccc(F)c1[O-])C(C)(C)C	ZINC000793115497	583554019	/nfs/dbraw/zinc/55/40/19/583554019.db2.gz	NAIAUQCKSCKGDW-SECBINFHSA-N	-1	1	238.306	2.889	20	30		BFEDMM
C=C1CCC(C(=O)[N-]Oc2ccc(F)cc2)CC1	ZINC000898577599	584143430	/nfs/dbraw/zinc/14/34/30/584143430.db2.gz	AKGLDTXGJQLYOS-UHFFFAOYSA-N	-1	1	249.285	2.982	20	30		BFEDMM
C=CC[C@@H](CC)Nc1cc(Cl)[n-]c(=O)n1	ZINC000858528436	588962934	/nfs/dbraw/zinc/96/29/34/588962934.db2.gz	GPSFLUVVOMJKAC-SSDOTTSWSA-N	-1	1	227.695	2.602	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccc(C)cc2C)[n-]1	ZINC000899346880	584199048	/nfs/dbraw/zinc/19/90/48/584199048.db2.gz	ZFFJWDIZUGBSIA-UHFFFAOYSA-N	-1	1	240.306	2.810	20	30		BFEDMM
Cc1ccc(F)c([O-])c1C=NOCC1CC1	ZINC000901245555	584407822	/nfs/dbraw/zinc/40/78/22/584407822.db2.gz	KMKMXCBNGXBUSZ-UHFFFAOYSA-N	-1	1	223.247	2.600	20	30		BFEDMM
C=CCCCOC(=O)c1c([O-])cc(F)cc1F	ZINC000735533557	584978731	/nfs/dbraw/zinc/97/87/31/584978731.db2.gz	YEFNXOYKOPIFDG-UHFFFAOYSA-N	-1	1	242.221	2.793	20	30		BFEDMM
CCCNN=C(C)c1ccc([O-])c(Cl)c1	ZINC000768772797	585543357	/nfs/dbraw/zinc/54/33/57/585543357.db2.gz	JASBYHLAGLWJHL-UHFFFAOYSA-N	-1	1	226.707	2.769	20	30		BFEDMM
O=C(/C=C/c1ccc([O-])c(F)c1)c1cscn1	ZINC000776193425	585692534	/nfs/dbraw/zinc/69/25/34/585692534.db2.gz	YKJJFVIHGXHQOH-DUXPYHPUSA-N	-1	1	249.266	2.884	20	30		BFEDMM
C=C(C)CCOC(=O)c1ccc([O-])cc1F	ZINC000803418433	586353620	/nfs/dbraw/zinc/35/36/20/586353620.db2.gz	YAYLZBVDIINKFR-UHFFFAOYSA-N	-1	1	224.231	2.654	20	30		BFEDMM
Cc1nc(C)c(/C=C/C(=O)c2ccc([O-])cc2)o1	ZINC000821022810	587089542	/nfs/dbraw/zinc/08/95/42/587089542.db2.gz	VDFBNNMYUXTZNE-BQYQJAHWSA-N	-1	1	243.262	2.893	20	30		BFEDMM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)c1ccccc1C	ZINC000824033546	587250218	/nfs/dbraw/zinc/25/02/18/587250218.db2.gz	OLWKELCKXLCBND-NEPJUHHUSA-N	-1	1	233.311	2.721	20	30		BFEDMM
CC#CCN(CC(=O)[O-])[C@@H](CC)c1ccccc1	ZINC000833380983	587711684	/nfs/dbraw/zinc/71/16/84/587711684.db2.gz	WOEQFFCNQOLEIN-AWEZNQCLSA-N	-1	1	245.322	2.548	20	30		BFEDMM
C=C1CC(C)(C(=O)[N-]OCc2ccccc2)C1	ZINC000864597260	589381386	/nfs/dbraw/zinc/38/13/86/589381386.db2.gz	DSOJTRPEQXBGOF-UHFFFAOYSA-N	-1	1	231.295	2.591	20	30		BFEDMM
CC(C)C[C@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691417	589684021	/nfs/dbraw/zinc/68/40/21/589684021.db2.gz	KLXCJPSCIHHUFN-NSHDSACASA-N	-1	1	246.310	2.650	20	30		BFEDMM
CC[C@@H](C)[C@@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692057	589684645	/nfs/dbraw/zinc/68/46/45/589684645.db2.gz	WOQIYQZKHSVZHS-GHMZBOCLSA-N	-1	1	246.310	2.650	20	30		BFEDMM
C=C(C)Cn1[n-]c2c(c1=O)CCC(C)(C)C2	ZINC000871950850	589840618	/nfs/dbraw/zinc/84/06/18/589840618.db2.gz	FXOIIAOOHNJZNN-SNVBAGLBSA-N	-1	1	220.316	2.587	20	30		BFEDMM
C=CCCC[C@H](C(=O)[N-]OC)c1ccccc1	ZINC000878113724	590497521	/nfs/dbraw/zinc/49/75/21/590497521.db2.gz	MDSMZMXVNWZVDO-ZDUSSCGKSA-N	-1	1	233.311	2.804	20	30		BFEDMM
C=CC(C)(C)CC(=O)[N-]Oc1ccccc1F	ZINC000881466640	591208706	/nfs/dbraw/zinc/20/87/06/591208706.db2.gz	DQPHDIUVLUDBTM-UHFFFAOYSA-N	-1	1	237.274	2.838	20	30		BFEDMM
C=CCN(CC(=O)[O-])Cc1cc(C)c(C)cc1C	ZINC000235754224	632826615	/nfs/dbraw/zinc/82/66/15/632826615.db2.gz	UYBIUKBGJLUDDS-UHFFFAOYSA-N	-1	1	247.338	2.684	20	30		BFEDMM
C=C(C)CO[N-]C(=O)[C@H](C)c1cccc(F)c1	ZINC000846538415	643679737	/nfs/dbraw/zinc/67/97/37/643679737.db2.gz	WLIPUSVGZQWLOA-SNVBAGLBSA-N	-1	1	237.274	2.553	20	30		BFEDMM
[O-]c1c(F)cccc1C=NNCC1CCCC1	ZINC000808006803	644870484	/nfs/dbraw/zinc/87/04/84/644870484.db2.gz	BMGDPHPANCPHBE-UHFFFAOYSA-N	-1	1	236.290	2.645	20	30		BFEDMM
C=C[C@H](CCC)Oc1[n-]c(=S)ncc1F	ZINC001227384421	975379350	/nfs/dbraw/zinc/37/93/50/975379350.db2.gz	ZEIFTGSOTPACPB-SSDOTTSWSA-N	-1	1	228.292	2.638	20	30		BFEDMM
CC#C[C@H](CC)Oc1ccccc1C=N[O-]	ZINC001234820271	978908431	/nfs/dbraw/zinc/90/84/31/978908431.db2.gz	UHFIJWBSKCEEKM-LBPRGKRZSA-N	-1	1	217.268	2.675	20	30		BFEDMM
[O-]N=Cc1ccccc1O[C@@H]1C=CCC1	ZINC001234820451	978908817	/nfs/dbraw/zinc/90/88/17/978908817.db2.gz	WANNUJIULKVELE-LLVKDONJSA-N	-1	1	203.241	2.592	20	30		BFEDMM
C=CCCCCCC[C@@H](C)OCc1nn[n-]n1	ZINC001223027360	972805352	/nfs/dbraw/zinc/80/53/52/972805352.db2.gz	OTARFJZDBJSOOQ-LLVKDONJSA-N	-1	1	238.335	2.631	20	30		BFEDMM
COC[C@H](C)O/C(=N\[O-])c1ccc(Cl)cc1	ZINC001223595026	973181934	/nfs/dbraw/zinc/18/19/34/973181934.db2.gz	DYRCDPFSVRUMIA-WBGQNJONSA-N	-1	1	243.690	2.527	20	30		BFEDMM
Cc1cc(-c2ncc(F)cc2C#N)cc([O-])c1F	ZINC001244496818	971305289	/nfs/dbraw/zinc/30/52/89/971305289.db2.gz	VNMJJSFFJJVYAL-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
N#Cc1ccccc1[N-]c1nonc1C1CC1	ZINC001210739768	957859578	/nfs/dbraw/zinc/85/95/78/957859578.db2.gz	SZSYBUFUGSUIDG-UHFFFAOYSA-N	-1	1	226.239	2.562	20	30		BFEDMM
C#C[C@@H]1CCC[C@@H]1Oc1cc([O-])ccc1C(C)=O	ZINC001225619335	962437394	/nfs/dbraw/zinc/43/73/94/962437394.db2.gz	TWAHVOGYKTWEIN-RISCZKNCSA-N	-1	1	244.290	2.776	20	30		BFEDMM
N#Cc1ccc([O-])cc1OCCOC1CCCC1	ZINC001228007922	963657104	/nfs/dbraw/zinc/65/71/04/963657104.db2.gz	UXBKVLWGYZOQAR-UHFFFAOYSA-N	-1	1	247.294	2.602	20	30		BFEDMM
C#CCNc1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001163367996	965370927	/nfs/dbraw/zinc/37/09/27/965370927.db2.gz	NMNDIIRRJFCDJA-FRKPEAEDSA-N	-1	1	242.200	2.559	20	30		BFEDMM
N#Cc1ccc(Cc2ccc(F)c([O-])c2)cc1	ZINC001250054270	967315193	/nfs/dbraw/zinc/31/51/93/967315193.db2.gz	FIKFJWQUXBXHLH-UHFFFAOYSA-N	-1	1	227.238	2.994	20	30		BFEDMM
N#Cc1ccc(-c2c(F)ccc([O-])c2F)nc1	ZINC001250461400	967886667	/nfs/dbraw/zinc/88/66/67/967886667.db2.gz	WRXKDXAAKZSSNN-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1nsc(Nc2cc([O-])cc(F)c2)c1C#N	ZINC001206754951	968457603	/nfs/dbraw/zinc/45/76/03/968457603.db2.gz	SPNXBMGYNIQYIG-UHFFFAOYSA-N	-1	1	249.270	2.912	20	30		BFEDMM
N#Cc1cccc(N)c1Nc1cc([O-])cc(F)c1	ZINC001208199590	969126862	/nfs/dbraw/zinc/12/68/62/969126862.db2.gz	MZCNYCFUKPMHMZ-UHFFFAOYSA-N	-1	1	243.241	2.729	20	30		BFEDMM
C=C[C@H](O)CNc1c(Cl)ccc([O-])c1Cl	ZINC001253592620	969283993	/nfs/dbraw/zinc/28/39/93/969283993.db2.gz	UBDIPIGCFFPQLE-LURJTMIESA-N	-1	1	248.109	2.658	20	30		BFEDMM
C#C[C@@H](CCC)Oc1cc([O-])ccc1C(C)=O	ZINC001225618138	974596498	/nfs/dbraw/zinc/59/64/98/974596498.db2.gz	CNTWOQRTSRCBJQ-LBPRGKRZSA-N	-1	1	232.279	2.776	20	30		BFEDMM
C=C[C@H](CC)Oc1cc([O-])ccc1C(C)=O	ZINC001225617659	974598999	/nfs/dbraw/zinc/59/89/99/974598999.db2.gz	YOQIFWJDUIXSHY-LLVKDONJSA-N	-1	1	220.268	2.938	20	30		BFEDMM
CC(=NNCC(C)C)c1c([O-])cccc1F	ZINC001331969030	974898320	/nfs/dbraw/zinc/89/83/20/974898320.db2.gz	MTWFUFRWGQLPJR-UHFFFAOYSA-N	-1	1	224.279	2.501	20	30		BFEDMM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cnc[n-]c2=O)C1	ZINC001227048230	975233420	/nfs/dbraw/zinc/23/34/20/975233420.db2.gz	AVXIWQCSRLPTKB-NEPJUHHUSA-N	-1	1	246.310	2.862	20	30		BFEDMM
C[C@H]1CCC[C@@H]1Oc1ccc([O-])c(C#N)c1C#N	ZINC001227615148	975582753	/nfs/dbraw/zinc/58/27/53/975582753.db2.gz	RGAPRMJXCLJFDS-ZANVPECISA-N	-1	1	242.278	2.703	20	30		BFEDMM
C=CC[C@@H](C)Oc1cc([O-])ccc1C#N	ZINC001228004288	975842643	/nfs/dbraw/zinc/84/26/43/975842643.db2.gz	ACFNTEWXEKORTF-SECBINFHSA-N	-1	1	203.241	2.607	20	30		BFEDMM
N#Cc1cccc([O-])c1N=C1CCCC1	ZINC001173998159	976145177	/nfs/dbraw/zinc/14/51/77/976145177.db2.gz	JSMOAXHBRBYLJD-UHFFFAOYSA-N	-1	1	200.241	2.744	20	30		BFEDMM
C=CC[C@@H](C=C)Oc1cc([N+](=O)[O-])ccc1[O-]	ZINC001229399941	976862248	/nfs/dbraw/zinc/86/22/48/976862248.db2.gz	PXMJCWNOYINRQS-SNVBAGLBSA-N	-1	1	235.239	2.810	20	30		BFEDMM
CCC(=O)c1ccc([O-])cc1OC1CC(C#N)C1	ZINC001229476608	976876414	/nfs/dbraw/zinc/87/64/14/976876414.db2.gz	IKLASRSMDNLXOF-UHFFFAOYSA-N	-1	1	245.278	2.666	20	30		BFEDMM
CCO[C@@H](C)COc1ccccc1/C(C)=N/[O-]	ZINC001229737943	976973427	/nfs/dbraw/zinc/97/34/27/976973427.db2.gz	GCPYQVCNVYVAIP-AYDSOBSRSA-N	-1	1	237.299	2.689	20	30		BFEDMM
C/C(=N\[O-])c1ccccc1O[C@@H]1CC[C@H](C#N)C1	ZINC001229742419	976973979	/nfs/dbraw/zinc/97/39/79/976973979.db2.gz	ZXKUPFDABOOHJN-AWOYWQDDSA-N	-1	1	244.294	2.956	20	30		BFEDMM
C=C[C@H](CC)Oc1cc([N+](=O)[O-])c(C)cc1[O-]	ZINC001229751263	976978577	/nfs/dbraw/zinc/97/85/77/976978577.db2.gz	VDDGHPOUWXHQPJ-SECBINFHSA-N	-1	1	237.255	2.952	20	30		BFEDMM
C=C(C)CCC(=O)Nc1cc(F)cc(F)c1[O-]	ZINC001336533531	977757222	/nfs/dbraw/zinc/75/72/22/977757222.db2.gz	FGFAIBNKKCHSPW-UHFFFAOYSA-N	-1	1	241.237	2.965	20	30		BFEDMM
Cc1noc(C)c1[N-]c1ncc(C#N)cc1Cl	ZINC001176176711	977976425	/nfs/dbraw/zinc/97/64/25/977976425.db2.gz	OTWNBHJQKBYLED-UHFFFAOYSA-N	-1	1	248.673	2.955	20	30		BFEDMM
C=C[C@@H](CC)Oc1cc([O-])c(O)cc1C(C)=O	ZINC001234473861	978843497	/nfs/dbraw/zinc/84/34/97/978843497.db2.gz	KUGAYHBPXDKLJC-VIFPVBQESA-N	-1	1	236.267	2.644	20	30		BFEDMM
[O-]N=Cc1ccccc1O[C@H]1C=CCC1	ZINC001234820454	978906354	/nfs/dbraw/zinc/90/63/54/978906354.db2.gz	WANNUJIULKVELE-NSHDSACASA-N	-1	1	203.241	2.592	20	30		BFEDMM
C#C[C@H]1CCC[C@@H]1Oc1ccccc1C=N[O-]	ZINC001234819067	978907094	/nfs/dbraw/zinc/90/70/94/978907094.db2.gz	GVJOTWQSJZTVRV-AAEUAGOBSA-N	-1	1	229.279	2.675	20	30		BFEDMM
C=CC(C=C)Oc1ccccc1C=N[O-]	ZINC001234819005	978908779	/nfs/dbraw/zinc/90/87/79/978908779.db2.gz	GJDWPNFRVHMWEG-UHFFFAOYSA-N	-1	1	203.241	2.614	20	30		BFEDMM
Cc1ccc(F)c(-c2ccc(C#N)nc2)c1[O-]	ZINC001236402250	979581314	/nfs/dbraw/zinc/58/13/14/979581314.db2.gz	JKLJRQDKGNYHGC-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
CC[C@@H](F)C(=O)N([O-])Cc1ccccc1Cl	ZINC001184293548	980016101	/nfs/dbraw/zinc/01/61/01/980016101.db2.gz	YCJKJGYPDDMKGW-SNVBAGLBSA-N	-1	1	245.681	2.806	20	30		BFEDMM
C[C@H](C#N)N(C)Cc1cc(F)c(Cl)cc1[O-]	ZINC001237939417	980114083	/nfs/dbraw/zinc/11/40/83/980114083.db2.gz	CEKQZFAQCLZACH-SSDOTTSWSA-N	-1	1	242.681	2.529	20	30		BFEDMM
Cc1ccc(-c2ccc(C#N)cn2)c([O-])c1	ZINC001250463532	981141065	/nfs/dbraw/zinc/14/10/65/981141065.db2.gz	DEDUKNZGJGGSNM-UHFFFAOYSA-N	-1	1	210.236	2.634	20	30		BFEDMM
N#Cc1cc(NC(=O)OC2CCCC2)ccc1[O-]	ZINC001193562474	981372889	/nfs/dbraw/zinc/37/28/89/981372889.db2.gz	FSWMYEHCOYEJHN-UHFFFAOYSA-N	-1	1	246.266	2.755	20	30		BFEDMM
C=C(C)CON=C(C)c1c([O-])cccc1F	ZINC001349817563	981763690	/nfs/dbraw/zinc/76/36/90/981763690.db2.gz	KBIVCOIFTBQTRP-UHFFFAOYSA-N	-1	1	223.247	2.848	20	30		BFEDMM
Cc1cc(C#N)cc(-c2ccc([O-])c(F)c2)n1	ZINC001240785800	981830227	/nfs/dbraw/zinc/83/02/27/981830227.db2.gz	FAONYNSZWRPSKD-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
CC[C@H](C)COC(=O)Nc1c([O-])cccc1C#N	ZINC001194805621	981904336	/nfs/dbraw/zinc/90/43/36/981904336.db2.gz	UOSNGPFRHIJVPB-VIFPVBQESA-N	-1	1	248.282	2.858	20	30		BFEDMM
Cc1ccc(-c2cc(C)c(C#N)cn2)c([O-])c1	ZINC001241030399	982127916	/nfs/dbraw/zinc/12/79/16/982127916.db2.gz	JHOKBTZAWVEMBM-UHFFFAOYSA-N	-1	1	224.263	2.943	20	30		BFEDMM
Cc1ccc(C#N)c(-c2cc([O-])cc(F)c2)n1	ZINC001241258331	982396043	/nfs/dbraw/zinc/39/60/43/982396043.db2.gz	ZGUYZQYQYZZYGD-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#CCc1cccnc1-c1c(F)ccc([O-])c1F	ZINC001241291143	982424259	/nfs/dbraw/zinc/42/42/59/982424259.db2.gz	GEPMVHRNGNDVIO-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
Cc1nccc(-c2cc([O-])cc(F)c2)c1C#N	ZINC001241282539	982428249	/nfs/dbraw/zinc/42/82/49/982428249.db2.gz	MCNNMAZSDHGALQ-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
[O-]/N=C/c1ccc(F)c(-c2ncccc2F)c1	ZINC001241540725	982725088	/nfs/dbraw/zinc/72/50/88/982725088.db2.gz	RSLWHAXDJQVYSP-FRKPEAEDSA-N	-1	1	234.205	2.835	20	30		BFEDMM
Cc1oc(Nc2cncc([O-])c2)c(C#N)c1C	ZINC001201632866	983362257	/nfs/dbraw/zinc/36/22/57/983362257.db2.gz	MFFDHVRMXWSQOU-UHFFFAOYSA-N	-1	1	229.239	2.612	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1cc(F)ccc1CO	ZINC001242342772	983594727	/nfs/dbraw/zinc/59/47/27/983594727.db2.gz	DVLUUWZGAIBEPA-UHFFFAOYSA-N	-1	1	245.253	2.793	20	30		BFEDMM
Cc1cccc(-c2nnc(C)c(C)c2C#N)c1[O-]	ZINC001242344199	983594870	/nfs/dbraw/zinc/59/48/70/983594870.db2.gz	QDUWPDKZEYUZQB-UHFFFAOYSA-N	-1	1	239.278	2.646	20	30		BFEDMM
N#Cc1cc(-c2nccc3cc[nH]c32)ccc1[O-]	ZINC001242561563	983884561	/nfs/dbraw/zinc/88/45/61/983884561.db2.gz	ABJDSDXVZHBLKD-UHFFFAOYSA-N	-1	1	235.246	2.807	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1nccs1	ZINC001242898946	984263531	/nfs/dbraw/zinc/26/35/31/984263531.db2.gz	DTGQMGKFHCJGEL-UHFFFAOYSA-N	-1	1	204.254	2.618	20	30		BFEDMM
Cc1nccc(-c2ccc(F)c([O-])c2)c1C#N	ZINC001243051626	984415323	/nfs/dbraw/zinc/41/53/23/984415323.db2.gz	SFMQXYBYRKSADO-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
COc1cnccc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001243078654	984516050	/nfs/dbraw/zinc/51/60/50/984516050.db2.gz	XIICDHVQLJGIQH-FRKPEAEDSA-N	-1	1	246.241	2.704	20	30		BFEDMM
C=C[C@@H]1CCCCN1C(=O)c1cccc([O-])c1F	ZINC001448716508	984820401	/nfs/dbraw/zinc/82/04/01/984820401.db2.gz	GURSINRIHTZLJM-SNVBAGLBSA-N	-1	1	249.285	2.712	20	30		BFEDMM
N#Cc1cc(-c2cc(F)cc(F)c2[O-])ccn1	ZINC001243504227	985059556	/nfs/dbraw/zinc/05/95/56/985059556.db2.gz	NNUWZGOLSQFUKM-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
Cc1ccc([O-])c(-c2ccc(C#N)c(F)n2)c1	ZINC001244402949	986066544	/nfs/dbraw/zinc/06/65/44/986066544.db2.gz	LOGUEHKROJDEHB-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2cccc(F)c2C)[n-]1	ZINC001245951907	987231124	/nfs/dbraw/zinc/23/11/24/987231124.db2.gz	KYGMBMSQLYHTRQ-UHFFFAOYSA-N	-1	1	244.269	2.591	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccc(C)cc2C)[n-]1	ZINC001245952238	987231778	/nfs/dbraw/zinc/23/17/78/987231778.db2.gz	VGLRRGMYAMODMU-UHFFFAOYSA-N	-1	1	240.306	2.761	20	30		BFEDMM
C=C[C@H](C)ON=C(C)c1c([O-])cccc1F	ZINC001119299646	988891766	/nfs/dbraw/zinc/89/17/66/988891766.db2.gz	VLRJLONVWUUQNJ-QMMMGPOBSA-N	-1	1	223.247	2.846	20	30		BFEDMM
N#Cc1sccc1C(=O)Nc1ccccc1[O-]	ZINC001542193420	990659722	/nfs/dbraw/zinc/65/97/22/990659722.db2.gz	MYVHGBQEEATELZ-UHFFFAOYSA-N	-1	1	244.275	2.578	20	30		BFEDMM
CCCN(CCC#N)Cc1c([O-])cccc1F	ZINC001137837744	990857029	/nfs/dbraw/zinc/85/70/29/990857029.db2.gz	SRNWXUAKDZDVCX-UHFFFAOYSA-N	-1	1	236.290	2.657	20	30		BFEDMM
C=CC[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1	ZINC001307322924	995323546	/nfs/dbraw/zinc/32/35/46/995323546.db2.gz	GZEHTBSBTJLRTL-ZETCQYMHSA-N	-1	1	224.329	2.856	20	30		BFEDMM
CCCc1cc(=O)[n-]c(S[C@H](C#N)C2CC2)n1	ZINC000601070485	346012559	/nfs/dbraw/zinc/01/25/59/346012559.db2.gz	SGKMQIDGOIZWCL-SNVBAGLBSA-N	-1	1	249.339	2.529	20	30		BFEDMM
CCC(CC)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596055706	348434539	/nfs/dbraw/zinc/43/45/39/348434539.db2.gz	MMPIMSMLWVNYMC-UHFFFAOYSA-N	-1	1	229.736	2.691	20	30		BFEDMM
C=C(C)CN(C)C(=O)c1ccc(Cl)cc1[O-]	ZINC000163111315	350506120	/nfs/dbraw/zinc/50/61/20/350506120.db2.gz	WYYLWARZPOGEQA-UHFFFAOYSA-N	-1	1	239.702	2.694	20	30		BFEDMM
C#CCCCSc1nc(C2CC2)cc(=O)[n-]1	ZINC000277705060	188094447	/nfs/dbraw/zinc/09/44/47/188094447.db2.gz	NAOYICUCOKLHHB-UHFFFAOYSA-N	-1	1	234.324	2.565	20	30		BFEDMM
C=CCCSc1nc(C(F)F)cc(=O)[n-]1	ZINC000289651778	353625092	/nfs/dbraw/zinc/62/50/92/353625092.db2.gz	XKZYNWAMUQVXRB-UHFFFAOYSA-N	-1	1	232.255	2.788	20	30		BFEDMM
C=C(C)CSc1nc(C(F)F)cc(=O)[n-]1	ZINC000289534445	353631256	/nfs/dbraw/zinc/63/12/56/353631256.db2.gz	NNBOJWWCMMLWQY-UHFFFAOYSA-N	-1	1	232.255	2.788	20	30		BFEDMM
N#Cc1cc(-c2cccc(N)c2)ccc1[O-]	ZINC000065341284	181080457	/nfs/dbraw/zinc/08/04/57/181080457.db2.gz	BBBVHBHVUOWZRK-UHFFFAOYSA-N	-1	1	210.236	2.513	20	30		BFEDMM
CC#CCCCC(=O)Nc1cccc(F)c1[O-]	ZINC000628959802	360772543	/nfs/dbraw/zinc/77/25/43/360772543.db2.gz	FSXFYSKBDPAVHW-UHFFFAOYSA-N	-1	1	235.258	2.663	20	30		BFEDMM
CCCCN(CC)C(=O)c1ccc(C#N)c([O-])c1	ZINC000188218513	384841437	/nfs/dbraw/zinc/84/14/37/384841437.db2.gz	OWVFZRTYAFEKQJ-UHFFFAOYSA-N	-1	1	246.310	2.526	20	30		BFEDMM
CCc1cc(=O)[n-]c(S[C@H]2CC[C@H](C#N)C2)n1	ZINC000336257123	387087318	/nfs/dbraw/zinc/08/73/18/387087318.db2.gz	FNHUAXRXEBZNMM-WPRPVWTQSA-N	-1	1	249.339	2.529	20	30		BFEDMM
C=CCCCSc1nc(C)c(C)c(=O)[n-]1	ZINC000540715750	388814447	/nfs/dbraw/zinc/81/44/47/388814447.db2.gz	QHUQBWYOHQLKRG-UHFFFAOYSA-N	-1	1	224.329	2.857	20	30		BFEDMM
C[C@@H](CC#N)N(C)Cc1cccc([O-])c1Cl	ZINC000295365584	135189365	/nfs/dbraw/zinc/18/93/65/135189365.db2.gz	ODALYEIUCHQBKS-VIFPVBQESA-N	-1	1	238.718	2.780	20	30		BFEDMM
CC[C@@H](C)CON=c1ccc(Cl)c(C#N)[n-]1	ZINC000291985872	170712321	/nfs/dbraw/zinc/71/23/21/170712321.db2.gz	XMJYODWPDTWNLC-MRVPVSSYSA-N	-1	1	239.706	2.996	20	30		BFEDMM
C=C(CC)CSc1nc(C)c(C)c(=O)[n-]1	ZINC000538517999	324710997	/nfs/dbraw/zinc/71/09/97/324710997.db2.gz	GPADYVPLYKESAB-UHFFFAOYSA-N	-1	1	224.329	2.857	20	30		BFEDMM
CCC#C[C@H](C)Sc1nc(CC)cc(=O)[n-]1	ZINC000683454400	488165303	/nfs/dbraw/zinc/16/53/03/488165303.db2.gz	KZPQDFHEMJNWLT-VIFPVBQESA-N	-1	1	236.340	2.639	20	30		BFEDMM
C=C(C)CCSc1nc(C)c(C)c(=O)[n-]1	ZINC000506432499	526464248	/nfs/dbraw/zinc/46/42/48/526464248.db2.gz	JWTWTENNKNKSRS-UHFFFAOYSA-N	-1	1	224.329	2.857	20	30		BFEDMM
C=C[C@@H](C)ON=C(C)c1ccc(F)cc1[O-]	ZINC000844623048	582604330	/nfs/dbraw/zinc/60/43/30/582604330.db2.gz	DMTZBOKBQHOYRQ-MRVPVSSYSA-N	-1	1	223.247	2.846	20	30		BFEDMM
CC(=NNc1ccccn1)c1ccc(F)cc1O	ZINC000727777987	583768554	/nfs/dbraw/zinc/76/85/54/583768554.db2.gz	YNXWUXSXCNVVLQ-UHFFFAOYSA-N	-1	1	245.257	2.762	20	30		BFEDMM
C#CCc1c(C)[n-]n([C@H]2CCCCC2(C)C)c1=O	ZINC000899355763	584201680	/nfs/dbraw/zinc/20/16/80/584201680.db2.gz	UWOHBSQRDMCFFL-STQMWFEESA-N	-1	1	246.354	2.813	20	30		BFEDMM
[O-]c1c(F)cccc1C=NNCc1ccccc1	ZINC000755566174	585301769	/nfs/dbraw/zinc/30/17/69/585301769.db2.gz	ZLUKTXBVZMKYNZ-UHFFFAOYSA-N	-1	1	244.269	2.655	20	30		BFEDMM
CC(C)CON=Cc1cccc(F)c1[O-]	ZINC000755803211	585307492	/nfs/dbraw/zinc/30/74/92/585307492.db2.gz	ZWBITKFFISEYSE-UHFFFAOYSA-N	-1	1	211.236	2.538	20	30		BFEDMM
CC(=NNCC(C)C)c1ccc(F)cc1[O-]	ZINC000771566232	585596457	/nfs/dbraw/zinc/59/64/57/585596457.db2.gz	GBFYJBXHXHPKJM-UHFFFAOYSA-N	-1	1	224.279	2.501	20	30		BFEDMM
C=C(CC)COC(=O)c1c([O-])cc(F)cc1F	ZINC000773499420	585638392	/nfs/dbraw/zinc/63/83/92/585638392.db2.gz	BBTVNBDIGUAOQJ-UHFFFAOYSA-N	-1	1	242.221	2.793	20	30		BFEDMM
C[C@@H](C#N)C[N@H+](Cc1cc(F)ccc1O)C1CC1	ZINC000779031771	585744342	/nfs/dbraw/zinc/74/43/42/585744342.db2.gz	HQCXETMAPKGPFL-JTQLQIEISA-N	-1	1	248.301	2.655	20	30		BFEDMM
CCCNN=Cc1c([O-])ccc(Cl)c1F	ZINC000790157620	585958771	/nfs/dbraw/zinc/95/87/71/585958771.db2.gz	IIEBLVLCAYWZJH-UHFFFAOYSA-N	-1	1	230.670	2.518	20	30		BFEDMM
Cc1cccnc1NN=Cc1cccc(F)c1[O-]	ZINC000790185056	585960214	/nfs/dbraw/zinc/96/02/14/585960214.db2.gz	ACLWCYPYAVSNBC-UHFFFAOYSA-N	-1	1	245.257	2.681	20	30		BFEDMM
[O-]c1ccc(F)c(C=NOC/C=C/Cl)c1F	ZINC000811669714	586565364	/nfs/dbraw/zinc/56/53/64/586565364.db2.gz	SLWXNPFSMFJPAD-QNVZSSGFSA-N	-1	1	247.628	2.773	20	30		BFEDMM
C=CCO[N-]C(=O)[C@H](C)c1ccc(CC)cc1	ZINC000837046834	587850532	/nfs/dbraw/zinc/85/05/32/587850532.db2.gz	PZNDLIYADGNSBJ-LLVKDONJSA-N	-1	1	233.311	2.586	20	30		BFEDMM
C=CCC1(C(=O)[N-]O[C@H](C)C=C)CCCC1	ZINC000846553648	588276465	/nfs/dbraw/zinc/27/64/65/588276465.db2.gz	DCBJMCNWKDOSKO-LLVKDONJSA-N	-1	1	223.316	2.745	20	30		BFEDMM
C=C(Cl)CSc1nc(CC)c(C)c(=O)[n-]1	ZINC000849920591	588509535	/nfs/dbraw/zinc/50/95/35/588509535.db2.gz	BZBVJQSXHFOBTJ-UHFFFAOYSA-N	-1	1	244.747	2.898	20	30		BFEDMM
CCCC[C@@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690537	589684375	/nfs/dbraw/zinc/68/43/75/589684375.db2.gz	QIVPKDDPYTWWJU-LLVKDONJSA-N	-1	1	246.310	2.795	20	30		BFEDMM
[O-]c1ccc(F)c(C=NOCC2CCC2)c1F	ZINC000853440783	633845740	/nfs/dbraw/zinc/84/57/40/633845740.db2.gz	IOIKBIBBVCUBCU-UHFFFAOYSA-N	-1	1	241.237	2.821	20	30		BFEDMM
CC(C)c1nn(C)cc1-c1ccc([O-])c(C#N)c1	ZINC000904795845	637490358	/nfs/dbraw/zinc/49/03/58/637490358.db2.gz	ZKMJERNGJFREPC-UHFFFAOYSA-N	-1	1	241.294	2.788	20	30		BFEDMM
C=CC(C)(C)C(=O)Nc1cc(F)cc(F)c1[O-]	ZINC000910987087	639555996	/nfs/dbraw/zinc/55/59/96/639555996.db2.gz	JOIOKFRXWSGJAI-UHFFFAOYSA-N	-1	1	241.237	2.821	20	30		BFEDMM
[O-]c1ccc(C=NNc2ccccn2)cc1Cl	ZINC000921255503	642589872	/nfs/dbraw/zinc/58/98/72/642589872.db2.gz	UGWIJHVWLOHBEV-UHFFFAOYSA-N	-1	1	247.685	2.887	20	30		BFEDMM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)c1ccccc1C	ZINC000824033548	644519791	/nfs/dbraw/zinc/51/97/91/644519791.db2.gz	OLWKELCKXLCBND-RYUDHWBXSA-N	-1	1	233.311	2.721	20	30		BFEDMM
C#C[C@@H](C)Oc1cc([O-])ccc1C(=O)CCC	ZINC001233650473	978661112	/nfs/dbraw/zinc/66/11/12/978661112.db2.gz	KPJADCGQMWPTBX-SNVBAGLBSA-N	-1	1	232.279	2.776	20	30		BFEDMM
C=C(CC)C(=O)NCc1ccc([O-])c(Cl)c1	ZINC001347521130	981104234	/nfs/dbraw/zinc/10/42/34/981104234.db2.gz	UAHWCGVROLBLSB-UHFFFAOYSA-N	-1	1	239.702	2.628	20	30		BFEDMM
Cc1cc(C#N)cnc1-c1ccccc1[O-]	ZINC001241001964	982084514	/nfs/dbraw/zinc/08/45/14/982084514.db2.gz	NEZGBMHYXQBZQX-UHFFFAOYSA-N	-1	1	210.236	2.634	20	30		BFEDMM
CC[C@@H](C)OC(=O)Nc1ccc([O-])c(C#N)c1	ZINC001195121710	982104315	/nfs/dbraw/zinc/10/43/15/982104315.db2.gz	KZWGABZTFVQGPD-MRVPVSSYSA-N	-1	1	234.255	2.611	20	30		BFEDMM
C[C@@H](CS)O/C(=N\[O-])c1ccc(Cl)cc1	ZINC001223593716	973182458	/nfs/dbraw/zinc/18/24/58/973182458.db2.gz	NEBYCIBRULJKPH-PCWSUNNMSA-N	-1	1	245.731	2.811	20	30		BFEDMM
N#Cc1ncc(F)cc1Nc1ccc(F)c([O-])c1	ZINC001211215502	958065215	/nfs/dbraw/zinc/06/52/15/958065215.db2.gz	SFWBDUWXQARWAX-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
C=CC[C@@H](CCC)Oc1cc(=O)[n-]c(=S)[nH]1	ZINC001225764088	974674319	/nfs/dbraw/zinc/67/43/19/974674319.db2.gz	DILITRJKVMVGSB-QMMMGPOBSA-N	-1	1	240.328	2.595	20	30		BFEDMM
N#Cc1ncc(-c2ccc([O-])cc2F)cc1F	ZINC001206051396	968020368	/nfs/dbraw/zinc/02/03/68/968020368.db2.gz	LTBBLDQQSFOKLY-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#Cc1cc(-c2ccc(F)c(C#N)c2)ccc1[O-]	ZINC001250636581	968180438	/nfs/dbraw/zinc/18/04/38/968180438.db2.gz	JVODGFRSWIDDKB-UHFFFAOYSA-N	-1	1	238.221	2.942	20	30		BFEDMM
Cc1noc(Nc2cccc(Cl)c2[O-])c1C#N	ZINC001210216132	969834506	/nfs/dbraw/zinc/83/45/06/969834506.db2.gz	CXZYYHHNFUWTPX-UHFFFAOYSA-N	-1	1	249.657	2.957	20	30		BFEDMM
Cc1ccc([N-]c2nonc2C2CC2)c(C#N)c1	ZINC001210564417	969939314	/nfs/dbraw/zinc/93/93/14/969939314.db2.gz	FXUDVWFEAMHLMQ-UHFFFAOYSA-N	-1	1	240.266	2.871	20	30		BFEDMM
C#CC[C@@H](C)O/C(=N\[O-])c1cc(F)ccc1F	ZINC001223890463	973324906	/nfs/dbraw/zinc/32/49/06/973324906.db2.gz	VBAXNLNHSZMTIA-MFDJHEEKSA-N	-1	1	239.221	2.529	20	30		BFEDMM
C#CC[C@@H](CC)Oc1cc([O-])ccc1C(C)=O	ZINC001225618964	974597676	/nfs/dbraw/zinc/59/76/76/974597676.db2.gz	KGZVBPKSZWCRJQ-GFCCVEGCSA-N	-1	1	232.279	2.776	20	30		BFEDMM
CCC#C[C@@H](C)Oc1cc([O-])ccc1C(C)=O	ZINC001225618626	974598032	/nfs/dbraw/zinc/59/80/32/974598032.db2.gz	GJECFHKYQNFJSY-SNVBAGLBSA-N	-1	1	232.279	2.776	20	30		BFEDMM
C#C[C@@H]1CCC[C@H]1Oc1cc([O-])ccc1C(C)=O	ZINC001225619333	974599192	/nfs/dbraw/zinc/59/91/92/974599192.db2.gz	TWAHVOGYKTWEIN-BXUZGUMPSA-N	-1	1	244.290	2.776	20	30		BFEDMM
C=CC[C@@H](C)OC(=O)c1ccc([O-])cc1F	ZINC001331136407	974616182	/nfs/dbraw/zinc/61/61/82/974616182.db2.gz	WYHRQQVVQVHWKQ-MRVPVSSYSA-N	-1	1	224.231	2.653	20	30		BFEDMM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1cnc[n-]c1=O	ZINC001227051690	975241570	/nfs/dbraw/zinc/24/15/70/975241570.db2.gz	NRYCBAMHFKBIBJ-SDDRHHMPSA-N	-1	1	248.326	2.942	20	30		BFEDMM
C#CC(C#C)Oc1cc(Cl)c([O-])cc1Cl	ZINC001227647542	975584613	/nfs/dbraw/zinc/58/46/13/975584613.db2.gz	ZFFZYKYDPIDSJD-UHFFFAOYSA-N	-1	1	241.073	2.713	20	30		BFEDMM
N#Cc1cc(N=C2CCCC2)c([O-])cc1F	ZINC001173998484	976148391	/nfs/dbraw/zinc/14/83/91/976148391.db2.gz	OUHMMXFVIZGDNK-UHFFFAOYSA-N	-1	1	218.231	2.883	20	30		BFEDMM
N#Cc1cccnc1Nc1c(F)ccc([O-])c1F	ZINC001175260840	977358098	/nfs/dbraw/zinc/35/80/98/977358098.db2.gz	CSVHRTUXKCZECQ-UHFFFAOYSA-N	-1	1	247.204	2.681	20	30		BFEDMM
C=C(CC)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC001596820513	978260549	/nfs/dbraw/zinc/26/05/49/978260549.db2.gz	XCHFZADOJXIGMZ-UHFFFAOYSA-N	-1	1	225.675	2.950	20	30		BFEDMM
CC=CC=CC(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000067660248	978365267	/nfs/dbraw/zinc/36/52/67/978365267.db2.gz	VEOLAWCSCFFVFS-MQQKCMAXSA-N	-1	1	246.192	2.544	20	30		BFEDMM
C=CCN(CC=C)Cc1cc(Cl)ncc1[O-]	ZINC001233033093	978419640	/nfs/dbraw/zinc/41/96/40/978419640.db2.gz	AUZWQEWPCPJRBU-UHFFFAOYSA-N	-1	1	238.718	2.615	20	30		BFEDMM
CO[C@H]1CCCC[C@@H]1Oc1ccccc1C=N[O-]	ZINC001234818882	978903791	/nfs/dbraw/zinc/90/37/91/978903791.db2.gz	GAFVQSBHEBSBHA-KBPBESRZSA-N	-1	1	249.310	2.831	20	30		BFEDMM
[O-]N=Cc1ccccc1OC1CCCC1	ZINC001234819875	978903861	/nfs/dbraw/zinc/90/38/61/978903861.db2.gz	PXWCCWARMBJTTO-UHFFFAOYSA-N	-1	1	205.257	2.816	20	30		BFEDMM
C#C[C@@H]1CCC[C@H]1Oc1ccccc1C=N[O-]	ZINC001234819068	978907782	/nfs/dbraw/zinc/90/77/82/978907782.db2.gz	GVJOTWQSJZTVRV-DGCLKSJQSA-N	-1	1	229.279	2.675	20	30		BFEDMM
N#CC1CCC(Oc2ccccc2C=N[O-])CC1	ZINC001234821519	978908495	/nfs/dbraw/zinc/90/84/95/978908495.db2.gz	GHYMYZLRSUMVCQ-UHFFFAOYSA-N	-1	1	244.294	2.956	20	30		BFEDMM
[O-]N=Cc1ccccc1OC[C@H]1CCC=CO1	ZINC001234822270	978909347	/nfs/dbraw/zinc/90/93/47/978909347.db2.gz	MFRBBBLEPRHNAU-GFCCVEGCSA-N	-1	1	233.267	2.566	20	30		BFEDMM
C#C[C@H](CCC)Oc1nc2sccc2[n-]1	ZINC001234846940	978914241	/nfs/dbraw/zinc/91/42/41/978914241.db2.gz	FGSQRBOLGDQCGY-MRVPVSSYSA-N	-1	1	220.297	2.805	20	30		BFEDMM
C#C[C@@H](CCC)N[C@H](C(=O)[O-])c1ccccc1C	ZINC001602671216	979160433	/nfs/dbraw/zinc/16/04/33/979160433.db2.gz	OZVUEUDGINSWTG-JSGCOSHPSA-N	-1	1	245.322	2.512	20	30		BFEDMM
C=CC[C@H]1CCN1[C@H](C(=O)[O-])c1ccsc1	ZINC001602855074	979314137	/nfs/dbraw/zinc/31/41/37/979314137.db2.gz	FXLKQXHHTBRANB-QWRGUYRKSA-N	-1	1	237.324	2.524	20	30		BFEDMM
Cc1ccc(F)c(-c2cc(CC#N)ccn2)c1[O-]	ZINC001236393610	979579306	/nfs/dbraw/zinc/57/93/06/979579306.db2.gz	WZQPZKBANUUYCJ-UHFFFAOYSA-N	-1	1	242.253	2.968	20	30		BFEDMM
COc1cnc(F)cc1-c1ccccc1C=N[O-]	ZINC001239040882	980419386	/nfs/dbraw/zinc/41/93/86/980419386.db2.gz	QYAAYUCIVVCCNH-UHFFFAOYSA-N	-1	1	246.241	2.704	20	30		BFEDMM
CCCCOC(=O)Nc1ccc(C#N)cc1[O-]	ZINC001193705217	981426490	/nfs/dbraw/zinc/42/64/90/981426490.db2.gz	JCRKGBAAKSXJFV-UHFFFAOYSA-N	-1	1	234.255	2.612	20	30		BFEDMM
Cc1nccc(-c2cc(F)ccc2[O-])c1C#N	ZINC001240699350	981621718	/nfs/dbraw/zinc/62/17/18/981621718.db2.gz	SVKWBBBTXRXGJU-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1ccc(C#N)nc1-c1ccc([O-])c(F)c1	ZINC001240781664	981819835	/nfs/dbraw/zinc/81/98/35/981819835.db2.gz	FLMYLVFMGYRGME-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
Cc1cnc(-c2ccc([O-])c(F)c2)cc1C#N	ZINC001240786173	981830102	/nfs/dbraw/zinc/83/01/02/981830102.db2.gz	PBIZYVDPJPMJAD-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1cccnc1-c1c(F)ccc([O-])c1F	ZINC001241289527	982426010	/nfs/dbraw/zinc/42/60/10/982426010.db2.gz	AYIWIJUWEWRHOZ-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#CCc1ccc(-c2c(F)ccc([O-])c2F)nc1	ZINC001241291408	982433493	/nfs/dbraw/zinc/43/34/93/982433493.db2.gz	YSUVIOOPHVHIQO-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1cccc(Sc2ccccc2[O-])n1	ZINC000081598268	982680672	/nfs/dbraw/zinc/68/06/72/982680672.db2.gz	ONXKBQUQIJHHQW-UHFFFAOYSA-N	-1	1	228.276	2.810	20	30		BFEDMM
[O-]/N=C/c1cccc(-c2ncccc2F)c1	ZINC001241541132	982727823	/nfs/dbraw/zinc/72/78/23/982727823.db2.gz	JFANQNUSWSDWRJ-OVCLIPMQSA-N	-1	1	216.215	2.696	20	30		BFEDMM
CSc1ncc(-c2cccc(/C=N/[O-])c2)cn1	ZINC001241630320	982865971	/nfs/dbraw/zinc/86/59/71/982865971.db2.gz	ZZZSDFBQCQUINM-GIDUJCDVSA-N	-1	1	245.307	2.674	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1cscn1	ZINC001241892132	983109363	/nfs/dbraw/zinc/10/93/63/983109363.db2.gz	OPKPSQREMXQUNV-UHFFFAOYSA-N	-1	1	204.254	2.618	20	30		BFEDMM
Cc1noc(C)c1-c1cc(/C=N/[O-])ccc1F	ZINC001242107691	983352808	/nfs/dbraw/zinc/35/28/08/983352808.db2.gz	MMSQEQGQRGAERG-MKMNVTDBSA-N	-1	1	234.230	2.906	20	30		BFEDMM
N#Cc1ncccc1-c1ccc2c(c1)CC/C2=N/[O-]	ZINC001242311798	983543644	/nfs/dbraw/zinc/54/36/44/983543644.db2.gz	HPZQEIRAGTVXHB-JXAWBTAJSA-N	-1	1	249.273	2.745	20	30		BFEDMM
Cc1cc(-c2ccccc2C=N[O-])cnc1C#N	ZINC001242357176	983641521	/nfs/dbraw/zinc/64/15/21/983641521.db2.gz	JPYFEZCKTCKVRO-UHFFFAOYSA-N	-1	1	237.262	2.737	20	30		BFEDMM
Cc1cc(-c2ccc([O-])c(C#N)c2)ncc1F	ZINC001242562275	983872639	/nfs/dbraw/zinc/87/26/39/983872639.db2.gz	PQOATZARGWUMPS-UHFFFAOYSA-N	-1	1	228.226	2.773	20	30		BFEDMM
N#Cc1cc(-c2ccc3[nH]ccc3n2)ccc1[O-]	ZINC001242561794	983884849	/nfs/dbraw/zinc/88/48/49/983884849.db2.gz	CMNXWBGAYUCJBJ-UHFFFAOYSA-N	-1	1	235.246	2.807	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1cccc2c1OCO2	ZINC001242590687	983910499	/nfs/dbraw/zinc/91/04/99/983910499.db2.gz	URALCYLBCXSZML-UHFFFAOYSA-N	-1	1	241.246	2.890	20	30		BFEDMM
COc1cnccc1-c1cc(/C=N/[O-])ccc1F	ZINC001243078617	984518223	/nfs/dbraw/zinc/51/82/23/984518223.db2.gz	WTWPJZLBAVBJSO-FRKPEAEDSA-N	-1	1	246.241	2.704	20	30		BFEDMM
[O-]N=Cc1ccccc1-c1cccc(CO)c1F	ZINC001243143047	984603276	/nfs/dbraw/zinc/60/32/76/984603276.db2.gz	AYUSEEGUTYHJHY-UHFFFAOYSA-N	-1	1	245.253	2.793	20	30		BFEDMM
C=CCCCCNC(=O)c1cccc([O-])c1F	ZINC001448156277	984807234	/nfs/dbraw/zinc/80/72/34/984807234.db2.gz	IZNILXLREQZXOS-UHFFFAOYSA-N	-1	1	237.274	2.617	20	30		BFEDMM
C=C[C@H]1CCCCN1C(=O)c1cccc([O-])c1F	ZINC001448716495	984819617	/nfs/dbraw/zinc/81/96/17/984819617.db2.gz	GURSINRIHTZLJM-JTQLQIEISA-N	-1	1	249.285	2.712	20	30		BFEDMM
N#CCc1cccnc1-c1ccc([O-])c(F)c1F	ZINC001243337693	984829574	/nfs/dbraw/zinc/82/95/74/984829574.db2.gz	AYZZLAKSHGOPHA-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#CCc1cc(-c2ccc([O-])c(F)c2F)ccn1	ZINC001243340853	984830724	/nfs/dbraw/zinc/83/07/24/984830724.db2.gz	HXJVXALIWZANOO-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#CCc1ccncc1-c1cc(F)cc(F)c1[O-]	ZINC001243503375	985059086	/nfs/dbraw/zinc/05/90/86/985059086.db2.gz	AQUPORCUSADSCP-UHFFFAOYSA-N	-1	1	246.216	2.798	20	30		BFEDMM
N#Cc1c(F)ccnc1-c1cccc([O-])c1F	ZINC001243543664	985074658	/nfs/dbraw/zinc/07/46/58/985074658.db2.gz	VQCPGPNJRGZIHJ-UHFFFAOYSA-N	-1	1	232.189	2.604	20	30		BFEDMM
N#CCc1ncc(-c2ccc(Cl)c([O-])c2)cn1	ZINC001243578123	985134389	/nfs/dbraw/zinc/13/43/89/985134389.db2.gz	MFWPLYRPLAHDPL-UHFFFAOYSA-N	-1	1	245.669	2.569	20	30		BFEDMM
N#Cc1ccc(-c2c([O-])cccc2Cl)cn1	ZINC001244033119	985774008	/nfs/dbraw/zinc/77/40/08/985774008.db2.gz	NWCHKORLDGUCQR-UHFFFAOYSA-N	-1	1	230.654	2.979	20	30		BFEDMM
COc1nc(-c2cc(C)ccc2[O-])ccc1C#N	ZINC001244402189	986063275	/nfs/dbraw/zinc/06/32/75/986063275.db2.gz	DPSCWKLLJVPCBO-UHFFFAOYSA-N	-1	1	240.262	2.643	20	30		BFEDMM
Cc1ccc([O-])c(-c2ncccc2C#N)c1	ZINC001244402631	986066695	/nfs/dbraw/zinc/06/66/95/986066695.db2.gz	ZBOZJBZOLPQILV-UHFFFAOYSA-N	-1	1	210.236	2.634	20	30		BFEDMM
Cc1cc(-c2cc(F)cnc2C#N)cc([O-])c1F	ZINC001244516276	986218656	/nfs/dbraw/zinc/21/86/56/986218656.db2.gz	REQROGBOTKHFBI-UHFFFAOYSA-N	-1	1	246.216	2.913	20	30		BFEDMM
CCCCc1cc(=O)n(-c2ccc(C#N)cc2)[n-]1	ZINC001245927586	987189397	/nfs/dbraw/zinc/18/93/97/987189397.db2.gz	WXGFATUJERRNFP-UHFFFAOYSA-N	-1	1	241.294	2.792	20	30		BFEDMM
C#CCCc1cc(=O)n(-c2ccc(C)c(C)c2)[n-]1	ZINC001245951691	987230552	/nfs/dbraw/zinc/23/05/52/987230552.db2.gz	HGVCKNHITHQYSX-UHFFFAOYSA-N	-1	1	240.306	2.761	20	30		BFEDMM
C=CCCCCNC(=O)c1ccc(F)c([O-])c1	ZINC001556312217	990820578	/nfs/dbraw/zinc/82/05/78/990820578.db2.gz	IRZHWLAQFSUFQP-UHFFFAOYSA-N	-1	1	237.274	2.617	20	30		BFEDMM
C=CCCO[N-]C(=O)C1(C)C(C)(C)C1(C)C	ZINC001557717623	990909264	/nfs/dbraw/zinc/90/92/64/990909264.db2.gz	RKKZJZQKXOQBSM-UHFFFAOYSA-N	-1	1	225.332	2.683	20	30		BFEDMM