smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC/C(=N\[O-])c1ccc(O)cc1O	ZINC000005417769	342763679	/nfs/dbraw/zinc/76/36/79/342763679.db2.gz	LYVREWSQGUBDKS-ACCUITESSA-N	-1	3	223.272	2.856	50	30		BFEAHM
[O-]c1c(O)ccc(C=Nc2ccccc2)c1O	ZINC000254519671	398316996	/nfs/dbraw/zinc/31/69/96/398316996.db2.gz	VHOVVVIQTPGKFP-UHFFFAOYSA-N	-1	3	229.235	2.554	50	30		BFEAHM
C/C(=N\[O-])c1ccc2ccccc2c1O	ZINC000000025885	187301041	/nfs/dbraw/zinc/30/10/41/187301041.db2.gz	IZFPWYLXBWCBIN-MDWZMJQESA-N	-1	3	201.225	2.744	50	30		BFEAHM
C/C(=N\O)c1ccc2ccccc2c1[O-]	ZINC000000025885	187301043	/nfs/dbraw/zinc/30/10/43/187301043.db2.gz	IZFPWYLXBWCBIN-MDWZMJQESA-N	-1	3	201.225	2.744	50	30		BFEAHM
Cc1ccnc(/N=C/c2ccccc2[O-])c1	ZINC000001768217	187301529	/nfs/dbraw/zinc/30/15/29/187301529.db2.gz	XCRFLWQHRLBXSU-OQLLNIDSSA-N	-1	3	212.252	2.846	50	30		BFEAHM
Cc1cccc(/N=C/c2ccccc2[O-])n1	ZINC000017060217	187311692	/nfs/dbraw/zinc/31/16/92/187311692.db2.gz	VERGMQGYQKKMCK-NTEUORMPSA-N	-1	3	212.252	2.846	50	30		BFEAHM
C=CCc1cc(Br)ccc1[O-]	ZINC000001562053	187364695	/nfs/dbraw/zinc/36/46/95/187364695.db2.gz	SWBCZCKHMGPYIP-UHFFFAOYSA-N	-1	3	213.074	2.883	50	30		BFEAHM
C#CCOc1c(Cl)cc(/C=N/[O-])cc1Cl	ZINC000004894626	191120898	/nfs/dbraw/zinc/12/08/98/191120898.db2.gz	PXWRQHWSZOBVSM-AWNIVKPZSA-N	-1	3	244.077	2.814	50	30		BFEAHM
N#CC=C([O-])c1sccc1-n1cccc1	ZINC000001406434	181034803	/nfs/dbraw/zinc/03/48/03/181034803.db2.gz	OEPSCFGAQZUCOE-UHFFFAOYSA-N	-1	3	216.265	2.635	50	30		BFEAHM
N#Cc1c2c(c(C3CCCCC3)[n-]c1=O)CCC2	ZINC000032072344	181078990	/nfs/dbraw/zinc/07/89/90/181078990.db2.gz	IZXZGBUIIMDIQD-UHFFFAOYSA-N	-1	3	242.322	2.783	50	30		BFEAHM
C=CCc1cc(/C=C/[N+](=O)[O-])cc(OCC)c1[O-]	ZINC000000452039	355896375	/nfs/dbraw/zinc/89/63/75/355896375.db2.gz	ZREWPULZTFPUMX-VOTSOKGWSA-N	-1	3	249.266	2.767	50	30		BFEAHM
Cc1noc2c1C(=N[O-])C[C@H](c1ccccc1)C2	ZINC000252597543	363983035	/nfs/dbraw/zinc/98/30/35/363983035.db2.gz	CSKVXKKYZIJVKB-NSHDSACASA-N	-1	3	242.278	2.891	50	30		BFEAHM
O=C(c1ccccc1)N([O-])c1ccccc1	ZINC000000402743	182675883	/nfs/dbraw/zinc/67/58/83/182675883.db2.gz	YLYIXDZITBMCIW-UHFFFAOYSA-N	-1	3	213.236	2.723	50	30		BFEAHM
[O-]c1ccccc1/N=C/c1ccc(O)cc1O	ZINC000000227156	183267439	/nfs/dbraw/zinc/26/74/39/183267439.db2.gz	VISLUSLXCVLVTQ-RIYZIHGNSA-N	-1	3	229.235	2.554	50	30		BFEAHM
[O-]c1ccccc1/C=N\c1nccs1	ZINC000095851161	183299839	/nfs/dbraw/zinc/29/98/39/183299839.db2.gz	JLXKDXBSISPXJW-GHXNOFRVSA-N	-1	3	204.254	2.599	50	30		BFEAHM
C=CCON=C([O-])Nc1ccccc1Cl	ZINC000003076061	384718868	/nfs/dbraw/zinc/71/88/68/384718868.db2.gz	CFMMRWCXRUCLQN-UHFFFAOYSA-N	-1	3	226.663	2.579	50	30		BFEAHM
C=CCO[N-]C(=O)Nc1ccccc1Cl	ZINC000003076061	384718874	/nfs/dbraw/zinc/71/88/74/384718874.db2.gz	CFMMRWCXRUCLQN-UHFFFAOYSA-N	-1	3	226.663	2.579	50	30		BFEAHM
COc1ccc(C(C)=NN2CCCCC2)c([O-])c1	ZINC000254364297	388700102	/nfs/dbraw/zinc/70/01/02/388700102.db2.gz	LAYOKEVAZVLUSZ-UHFFFAOYSA-N	-1	3	248.326	2.611	50	30		BFEAHM
[O-]/N=C(\c1ccccc1)[C@@H](O)c1ccccc1	ZINC000008381481	397934415	/nfs/dbraw/zinc/93/44/15/397934415.db2.gz	WAKHLWOJMHVUJC-MRPLLJTBSA-N	-1	3	227.263	2.599	50	30		BFEAHM
C=C(C)C[C@H](C)C(=O)N=c1[nH][n-]c(C(C)C)c1C	ZINC000585089951	487574409	/nfs/dbraw/zinc/57/44/09/487574409.db2.gz	PJNBYQGYIMNPJS-JTQLQIEISA-N	-1	3	249.358	2.804	50	30		BFEAHM
CC(C)(C)C(=O)C=C([O-])C(F)(F)C(F)F	ZINC000102484275	410840506	/nfs/dbraw/zinc/84/05/06/410840506.db2.gz	HUODZZMORHDPMN-XQRVVYSFSA-N	-1	3	228.185	2.944	50	30		BFEAHM
CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)F	ZINC000102484275	410840513	/nfs/dbraw/zinc/84/05/13/410840513.db2.gz	HUODZZMORHDPMN-XQRVVYSFSA-N	-1	3	228.185	2.944	50	30		BFEAHM
[O-]c1cccc(C=Nc2ccccc2)c1O	ZINC000252460818	526357071	/nfs/dbraw/zinc/35/70/71/526357071.db2.gz	IKCNVDHSEBASIB-UHFFFAOYSA-N	-1	3	213.236	2.848	50	30		BFEAHM
O=C(/C=C\c1ccccc1[O-])c1cccnc1	ZINC000017188033	583409112	/nfs/dbraw/zinc/40/91/12/583409112.db2.gz	XTWJHAQBORZNOB-FPLPWBNLSA-N	-1	3	225.247	2.683	50	30		BFEAHM
[O-]/N=C/C(CC12CC3CC(CC(C3)C1)C2)=N\O	ZINC000004948973	635168853	/nfs/dbraw/zinc/16/88/53/635168853.db2.gz	MMRHXOSOHYOIOS-QKXSHZPQSA-N	-1	3	236.315	2.883	50	30		BFEAHM
[O-]/N=C(\C=N\O)CC12CC3CC(CC(C3)C1)C2	ZINC000004948973	635168858	/nfs/dbraw/zinc/16/88/58/635168858.db2.gz	MMRHXOSOHYOIOS-QKXSHZPQSA-N	-1	3	236.315	2.883	50	30		BFEAHM
COc1cc(C(C)=N[O-])ccc1OCC(F)F	ZINC000254573526	398319467	/nfs/dbraw/zinc/31/94/67/398319467.db2.gz	REMMIJNNJKKAFI-UHFFFAOYSA-N	-1	3	245.225	2.537	50	30		BFEAHM
Cc1cc(C)c(C#N)c(-c2ccc([O-])cc2)n1	ZINC000067967851	188304957	/nfs/dbraw/zinc/30/49/57/188304957.db2.gz	WVZCKJJUPJNXJU-UHFFFAOYSA-N	-1	3	224.263	2.943	50	30		BFEAHM
N#Cc1cc([O-])cc(-c2cccc(N)c2)c1	ZINC000065341286	181091522	/nfs/dbraw/zinc/09/15/22/181091522.db2.gz	OVYAQDYNWUBATQ-UHFFFAOYSA-N	-1	3	210.236	2.513	50	30		BFEAHM
N#Cc1cccnc1Sc1ccc([O-])cc1	ZINC000038079207	181153736	/nfs/dbraw/zinc/15/37/36/181153736.db2.gz	KIMWTZKVZKWVLE-UHFFFAOYSA-N	-1	3	228.276	2.810	50	30		BFEAHM
COC=CC(=O)C=C([O-])C(C)(C)C(F)(F)F	ZINC000101928758	356658278	/nfs/dbraw/zinc/65/82/78/356658278.db2.gz	MUCCCUFWFHLCOP-LMJRQTCTSA-N	-1	3	238.205	2.746	50	30		BFEAHM
COC=CC([O-])=CC(=O)C(C)(C)C(F)(F)F	ZINC000101928758	356658281	/nfs/dbraw/zinc/65/82/81/356658281.db2.gz	MUCCCUFWFHLCOP-LMJRQTCTSA-N	-1	3	238.205	2.746	50	30		BFEAHM
[O-]c1ccccc1/C=N/N=C/c1ccc(O)cc1	ZINC000004109598	183266452	/nfs/dbraw/zinc/26/64/52/183266452.db2.gz	YJLNMSPQOOAHFU-KAVGSWPWSA-N	-1	3	240.262	2.551	50	30		BFEAHM
[O-]c1cccc(/C=N/c2ccccc2)c1O	ZINC000000065271	183287818	/nfs/dbraw/zinc/28/78/18/183287818.db2.gz	IKCNVDHSEBASIB-NTEUORMPSA-N	-1	3	213.236	2.848	50	30		BFEAHM
CCCOc1ccc(/C=N/[O-])cc1Cl	ZINC000002991812	169316736	/nfs/dbraw/zinc/31/67/36/169316736.db2.gz	MDZFWRZRNLXUPA-KPKJPENVSA-N	-1	3	213.664	2.937	50	30		BFEAHM
N#Cc1ccc(/N=C/c2ccc(O)c([O-])c2)cc1	ZINC000000561352	383874007	/nfs/dbraw/zinc/87/40/07/383874007.db2.gz	WGKIYMJXPWIUEU-CXUHLZMHSA-N	-1	3	238.246	2.720	50	30		BFEAHM
[O-]/N=C(/c1ccccc1)[C@H](O)c1ccccc1	ZINC000100025142	384610773	/nfs/dbraw/zinc/61/07/73/384610773.db2.gz	WAKHLWOJMHVUJC-JNINTMOKSA-N	-1	3	227.263	2.599	50	30		BFEAHM
O=C(C=C([O-])C=Cc1ccccc1)C(F)(F)F	ZINC000100060577	386507967	/nfs/dbraw/zinc/50/79/67/386507967.db2.gz	CSOPVKUECMSWBR-SREVYHEPSA-N	-1	3	242.196	2.790	50	30		BFEAHM
[O-]/N=C1\c2ccccc2-c2nc3ccccc3nc21	ZINC000100561477	387471109	/nfs/dbraw/zinc/47/11/09/387471109.db2.gz	SZHHSFHOIDCNLD-NBVRZTHBSA-N	-1	3	247.257	2.837	50	30		BFEAHM
C=CCCC[C@H](C)NC(=O)c1ccc([O-])c(O)c1	ZINC000097235379	166245559	/nfs/dbraw/zinc/24/55/59/166245559.db2.gz	LCAHPBSDHQYZMH-JTQLQIEISA-N	-1	3	249.310	2.572	50	30		BFEAHM
C=CCCC[C@@H](C)NC(=O)c1ccc([O-])c(O)c1	ZINC000097235380	166245854	/nfs/dbraw/zinc/24/58/54/166245854.db2.gz	LCAHPBSDHQYZMH-SNVBAGLBSA-N	-1	3	249.310	2.572	50	30		BFEAHM
CN(C)/C(=N\[O-])c1c(Cl)cccc1Cl	ZINC000015924172	172350195	/nfs/dbraw/zinc/35/01/95/172350195.db2.gz	WUKFGPOMRGAZDT-XFXZXTDPSA-N	-1	3	233.098	2.691	50	30		BFEAHM
COc1ccc(/C(=N\O)c2ccccc2)c([O-])c1	ZINC000100331477	175045533	/nfs/dbraw/zinc/04/55/33/175045533.db2.gz	CGMYMXLVMLLWHC-PFONDFGASA-N	-1	3	243.262	2.627	50	30		BFEAHM
COc1ccc(/C(=N\[O-])c2ccccc2)c(O)c1	ZINC000100331477	175045534	/nfs/dbraw/zinc/04/55/34/175045534.db2.gz	CGMYMXLVMLLWHC-PFONDFGASA-N	-1	3	243.262	2.627	50	30		BFEAHM
COc1ccc(O)c(C=Nc2ccccc2[O-])c1	ZINC000254837130	524734513	/nfs/dbraw/zinc/73/45/13/524734513.db2.gz	ZSKAQEGIDOMWSO-UHFFFAOYSA-N	-1	3	243.262	2.857	50	30		BFEAHM
[O-]N=C(c1ccccc1)[C@H](O)c1ccccc1	ZINC000252444116	527643500	/nfs/dbraw/zinc/64/35/00/527643500.db2.gz	WAKHLWOJMHVUJC-CQSZACIVSA-N	-1	3	227.263	2.599	50	30		BFEAHM
[O-]N=C(c1ccccc1)[C@@H](O)c1ccccc1	ZINC000252444115	527643877	/nfs/dbraw/zinc/64/38/77/527643877.db2.gz	WAKHLWOJMHVUJC-AWEZNQCLSA-N	-1	3	227.263	2.599	50	30		BFEAHM
C#CCCCCC(=O)Nc1ccc(OC)cc1[O-]	ZINC000135409818	398249461	/nfs/dbraw/zinc/24/94/61/398249461.db2.gz	OCBIRPKIKYUVOC-UHFFFAOYSA-N	-1	3	247.294	2.533	50	30		BFEAHM
C/C(=N/[O-])c1ccc(Br)s1	ZINC000004828851	342752750	/nfs/dbraw/zinc/75/27/50/342752750.db2.gz	GGNDYUAZNCRVDC-YWEYNIOJSA-N	-1	3	220.091	2.709	50	30		BFEAHM
CC(=NNc1ccccc1)c1ccc(O)cc1[O-]	ZINC000100066981	398316247	/nfs/dbraw/zinc/31/62/47/398316247.db2.gz	PRASTCBVKOOZPU-GDNBJRDFSA-N	-1	3	242.278	2.934	50	30		BFEAHM
CCOc1c(Cl)cc(C=N[O-])cc1OC	ZINC000250374266	362802052	/nfs/dbraw/zinc/80/20/52/362802052.db2.gz	DXECFQXJPSKTDU-UHFFFAOYSA-N	-1	3	229.663	2.555	50	30		BFEAHM
C=C(C)Cc1c(C)nc(-c2ccccc2)[n-]c1=O	ZINC000008680827	188051728	/nfs/dbraw/zinc/05/17/28/188051728.db2.gz	KCJSRFXVABQXRY-UHFFFAOYSA-N	-1	3	240.306	2.864	50	30		BFEAHM
COc1ccccc1N=Cc1cccc([O-])c1O	ZINC000252460716	363269838	/nfs/dbraw/zinc/26/98/38/363269838.db2.gz	HRFPXUIJDISUIP-UHFFFAOYSA-N	-1	3	243.262	2.857	50	30		BFEAHM
N#CC=C([O-])c1ccccc1Br	ZINC000002579795	181034903	/nfs/dbraw/zinc/03/49/03/181034903.db2.gz	KETIGQNBJUHYCA-UHFFFAOYSA-N	-1	3	224.057	2.545	50	30		BFEAHM
[O-]/N=C(\c1ccccc1)[C@H](O)c1ccccc1	ZINC000004579188	181823888	/nfs/dbraw/zinc/82/38/88/181823888.db2.gz	WAKHLWOJMHVUJC-SXWSKBOKSA-N	-1	3	227.263	2.599	50	30		BFEAHM
[O-]c1ccccc1/C=N\C[C@H](O)c1ccccc1	ZINC000017784683	183299595	/nfs/dbraw/zinc/29/95/95/183299595.db2.gz	ZBCOAVKWIKRCFX-HEUOVEHFSA-N	-1	3	241.290	2.545	50	30		BFEAHM
[O-]c1ccccc1C=NNc1ccccc1	ZINC000004159325	183300757	/nfs/dbraw/zinc/30/07/57/183300757.db2.gz	SERARPRVBWDEBA-GXDHUFHOSA-N	-1	3	212.252	2.838	50	30		BFEAHM
CCCOc1ccc(/C=N/[O-])cc1OCC	ZINC000016819012	169316594	/nfs/dbraw/zinc/31/65/94/169316594.db2.gz	DCFOJIXHXJOQBI-UKTHLTGXSA-N	-1	3	223.272	2.682	50	30		BFEAHM
[O-]/N=C/c1ccc(C#Cc2ccccc2)cc1	ZINC000000161416	383836827	/nfs/dbraw/zinc/83/68/27/383836827.db2.gz	KXYAPNJEVXAHOP-FOWTUZBSSA-N	-1	3	221.259	2.895	50	30		BFEAHM
O=C(/C=C\c1ccccc1[O-])c1ccccn1	ZINC000004566609	384069818	/nfs/dbraw/zinc/06/98/18/384069818.db2.gz	JKTCHMQMVYEGAI-HJWRWDBZSA-N	-1	3	225.247	2.683	50	30		BFEAHM
[O-]/N=C1\c2ccccc2-c2ccccc2\C1=N/O	ZINC000018210201	384503972	/nfs/dbraw/zinc/50/39/72/384503972.db2.gz	CFZZKFOEDDHUAM-WXUKJITCSA-N	-1	3	238.246	2.724	50	30		BFEAHM
COc1cc(C=N[O-])ccc1OCC(C)C	ZINC000254385150	388733735	/nfs/dbraw/zinc/73/37/35/388733735.db2.gz	TZXIOBICRQBXTQ-UHFFFAOYSA-N	-1	3	223.272	2.538	50	30		BFEAHM
[O-]N=Cc1ccc(-c2cn3ccccc3n2)cc1	ZINC000242463597	527643199	/nfs/dbraw/zinc/64/31/99/527643199.db2.gz	DFLXZUYAYKBFJX-UHFFFAOYSA-N	-1	3	237.262	2.809	50	30		BFEAHM
Cc1ccc(/C(=N/O)c2ccccc2)c([O-])c1	ZINC000005542515	178350549	/nfs/dbraw/zinc/35/05/49/178350549.db2.gz	SSIHOUYNCPXGKK-CCEZHUSRSA-N	-1	3	227.263	2.927	50	30		BFEAHM
Cc1ccc(/C(=N/[O-])c2ccccc2)c(O)c1	ZINC000005542515	178350551	/nfs/dbraw/zinc/35/05/51/178350551.db2.gz	SSIHOUYNCPXGKK-CCEZHUSRSA-N	-1	3	227.263	2.927	50	30		BFEAHM
CCCCOc1ccc(/C=N/[O-])cc1OC	ZINC000011884464	342843971	/nfs/dbraw/zinc/84/39/71/342843971.db2.gz	RECLEGUQTFXNDS-UKTHLTGXSA-N	-1	3	223.272	2.682	50	30		BFEAHM
CCOc1cc(/C=N/[O-])cc(Cl)c1OC	ZINC000013111568	342863607	/nfs/dbraw/zinc/86/36/07/342863607.db2.gz	KSIQIJQOBJLICW-WUXMJOGZSA-N	-1	3	229.663	2.555	50	30		BFEAHM
CC(=O)/C=C/c1cc(Br)ccc1[O-]	ZINC000001803126	187245414	/nfs/dbraw/zinc/24/54/14/187245414.db2.gz	MPEHLZAFKMYOTA-NSCUHMNNSA-N	-1	3	241.084	2.757	50	30		BFEAHM
C[C@@H](NCC1(C#N)CCC1)c1cc(F)ccc1[O-]	ZINC000585134889	344147545	/nfs/dbraw/zinc/14/75/45/344147545.db2.gz	OCYKQYDRVBCHKN-SNVBAGLBSA-N	-1	3	248.301	2.876	50	30		BFEAHM
C/C(=N\Cc1cccnc1)c1ccccc1[O-]	ZINC000100396370	191063252	/nfs/dbraw/zinc/06/32/52/191063252.db2.gz	QDFCFXZCZJZGFX-LFIBNONCSA-N	-1	3	226.279	2.796	50	30		BFEAHM
CC(=O)C(Sc1nc(C)cc(C)n1)=C(C)[O-]	ZINC000102313716	188322530	/nfs/dbraw/zinc/32/25/30/188322530.db2.gz	BAESVUUGBNAMEJ-NTMALXAHSA-N	-1	3	238.312	2.564	50	30		BFEAHM
N#Cc1ccc(C(=O)Nc2ccccc2[O-])cc1	ZINC000009478789	181101645	/nfs/dbraw/zinc/10/16/45/181101645.db2.gz	OLTHLSRRWJDZLO-UHFFFAOYSA-N	-1	3	238.246	2.516	50	30		BFEAHM
Cc1c(Cl)cccc1[N-]C(=S)C#N	ZINC000000398678	369386904	/nfs/dbraw/zinc/38/69/04/369386904.db2.gz	YCQMDDCAGNRHAX-UHFFFAOYSA-N	-1	3	210.689	2.911	50	30		BFEAHM
Cc1cc(=O)[n-]c(C=Cc2cccc(C#N)c2)n1	ZINC000167834810	385098748	/nfs/dbraw/zinc/09/87/48/385098748.db2.gz	NJOXLWMAEZOGGN-AATRIKPKSA-N	-1	3	237.262	2.533	50	30		BFEAHM
O=C(/C=C/c1ccccc1[O-])c1ccco1	ZINC000003892548	388574585	/nfs/dbraw/zinc/57/45/85/388574585.db2.gz	CTPZVSOXBBLRFZ-BQYQJAHWSA-N	-1	3	214.220	2.881	50	30		BFEAHM
Cc1ccc(Oc2ncccc2/C=N/[O-])cc1	ZINC000013138801	388728585	/nfs/dbraw/zinc/72/85/85/388728585.db2.gz	ZZWGPROUKMWALT-OQLLNIDSSA-N	-1	3	228.251	2.990	50	30		BFEAHM
CC1=NN([C@@H](C#N)c2ccccc2[O-])C(C)(C)C1	ZINC000000313044	168134243	/nfs/dbraw/zinc/13/42/43/168134243.db2.gz	UYJAFPWGKKJXSX-LBPRGKRZSA-N	-1	3	243.310	2.817	50	30		BFEAHM
C=CCN[C@@H](C)c1c([O-])cc(F)cc1F	ZINC000130728135	411437383	/nfs/dbraw/zinc/43/73/83/411437383.db2.gz	WLTVVEIXGLNYKF-ZETCQYMHSA-N	-1	3	213.227	2.507	50	30		BFEAHM
COc1ccc2nc(Cl)c(/C=N/[O-])cc2c1	ZINC000100032912	175229278	/nfs/dbraw/zinc/22/92/78/175229278.db2.gz	OEUJWQZDVAFKIL-AWNIVKPZSA-N	-1	3	236.658	2.705	50	30		BFEAHM
COc1cccc(/C=N/c2ccccc2[O-])c1O	ZINC000002143549	175241489	/nfs/dbraw/zinc/24/14/89/175241489.db2.gz	SXGVUOBVHVIRCB-OQLLNIDSSA-N	-1	3	243.262	2.857	50	30		BFEAHM
NN=C(/C=C\c1ccccc1)c1ccccc1[O-]	ZINC000252478816	527268282	/nfs/dbraw/zinc/26/82/82/527268282.db2.gz	AVMGXXCTNFBLOD-ZHJAVZLDSA-N	-1	3	238.290	2.768	50	30		BFEAHM
Cc1c2c(ccc1[O-])C(=O)/C(=C\c1ccco1)O2	ZINC000002228197	342717099	/nfs/dbraw/zinc/71/70/99/342717099.db2.gz	NPAJCGAJYRKEKV-KPKJPENVSA-N	-1	3	242.230	2.910	50	30		BFEAHM
N#CC=C([O-])c1ccc(OC(F)(F)F)cc1	ZINC000000148916	187244530	/nfs/dbraw/zinc/24/45/30/187244530.db2.gz	IYZQGBBCANKWMX-UHFFFAOYSA-N	-1	3	229.157	2.682	50	30		BFEAHM
Cc1cc(=O)[n-]c(C=Cc2cccc(C#N)c2)n1	ZINC000167835391	347324271	/nfs/dbraw/zinc/32/42/71/347324271.db2.gz	NJOXLWMAEZOGGN-WAYWQWQTSA-N	-1	3	237.262	2.533	50	30		BFEAHM
N#Cc1ccc(/C=C\c2ccc([O-])c(F)c2)nc1	ZINC000255551598	349373750	/nfs/dbraw/zinc/37/37/50/349373750.db2.gz	ZPQGZWOZCAWDRJ-RJRFIUFISA-N	-1	3	240.237	2.968	50	30		BFEAHM
CC(C)=C1Oc2c(ccc([O-])c2C)C1=O	ZINC000040162800	188297982	/nfs/dbraw/zinc/29/79/82/188297982.db2.gz	JGXZTJOAESABNX-UHFFFAOYSA-N	-1	3	204.225	2.570	50	30	biogenic	BFEAHM
N#Cc1ccc(N=Cc2cccc(O)c2[O-])cc1	ZINC000252462764	363279904	/nfs/dbraw/zinc/27/99/04/363279904.db2.gz	WBKRRJCLHBGPOH-UHFFFAOYSA-N	-1	3	238.246	2.720	50	30		BFEAHM
C=CCC[C@@H](OC(=O)c1ccc(C#N)[n-]1)C1CC1	ZINC000159507920	541350430	/nfs/dbraw/zinc/35/04/30/541350430.db2.gz	FFCRGSPBWLWTPQ-CYBMUJFWSA-N	-1	3	244.294	2.788	50	30		BFEAHM
[O-]c1cccc(/C=N/c2ccc(F)cc2)c1O	ZINC000000294340	183287870	/nfs/dbraw/zinc/28/78/70/183287870.db2.gz	JYBJIURXQOHXLI-OVCLIPMQSA-N	-1	3	231.226	2.988	50	30		BFEAHM
[O-]c1ccccc1/C=N/c1ccc2c(c1)OCO2	ZINC000000571324	183299169	/nfs/dbraw/zinc/29/91/69/183299169.db2.gz	ZRWLSUGRXCOFBJ-OVCLIPMQSA-N	-1	3	241.246	2.872	50	30		BFEAHM
[O-]/N=C(/c1ccccc1)[C@@H](O)c1ccccc1	ZINC000012375837	384316511	/nfs/dbraw/zinc/31/65/11/384316511.db2.gz	WAKHLWOJMHVUJC-RHIYTYFCSA-N	-1	3	227.263	2.599	50	30		BFEAHM
CCCCCCCC[C@@H]1C[C@H]1C(=O)N[O-]	ZINC000098007383	384495584	/nfs/dbraw/zinc/49/55/84/384495584.db2.gz	WRPQMDNDRIIPNA-GHMZBOCLSA-N	-1	3	213.321	2.879	50	30		BFEAHM
C/C(=N/[O-])c1ccc(Br)cc1	ZINC000100009513	384608579	/nfs/dbraw/zinc/60/85/79/384608579.db2.gz	AWJKRPKYUKWTJX-POHAHGRESA-N	-1	3	214.062	2.647	50	30		BFEAHM
[O-]/N=C(/Cl)c1c(F)cccc1Cl	ZINC000033986250	385272859	/nfs/dbraw/zinc/27/28/59/385272859.db2.gz	XQUJVGVNTYDLIG-YRNVUSSQSA-N	-1	3	208.019	2.854	50	30		BFEAHM
N#CC=C([O-])c1cccc(C(F)(F)F)c1	ZINC000000128855	187244373	/nfs/dbraw/zinc/24/43/73/187244373.db2.gz	GEPORLBYZLQDOB-UHFFFAOYSA-N	-1	3	213.158	2.802	50	30		BFEAHM
COc1cc(/C(C)=N/[O-])ccc1OCC(F)F	ZINC000037756073	343354001	/nfs/dbraw/zinc/35/40/01/343354001.db2.gz	REMMIJNNJKKAFI-VGOFMYFVSA-N	-1	3	245.225	2.537	50	30		BFEAHM
CC(C)(C)/N=C1\SC[C@](C)(/C=N/[O-])S1	ZINC000012416584	350617383	/nfs/dbraw/zinc/61/73/83/350617383.db2.gz	VZXPRSDUKJLRAH-YWHSMLCWSA-N	-1	3	232.374	2.840	50	30		BFEAHM
N#CC1(c2cccc([O-])c2F)CCCC1	ZINC000261494090	181031844	/nfs/dbraw/zinc/03/18/44/181031844.db2.gz	PPCHLDUEPRSICB-UHFFFAOYSA-N	-1	3	205.232	2.867	50	30		BFEAHM
O=C(C[C@@H]1C=CCCC1)NCc1ncccc1[O-]	ZINC000329913951	356143049	/nfs/dbraw/zinc/14/30/49/356143049.db2.gz	CDQXABCSYSTFFY-LLVKDONJSA-N	-1	3	246.310	2.990	50	30		BFEAHM
Cc1ccc(Cl)cc1[N-]C(=S)C#N	ZINC000000398677	369386797	/nfs/dbraw/zinc/38/67/97/369386797.db2.gz	NBEYHEFECIMZAG-UHFFFAOYSA-N	-1	3	210.689	2.911	50	30		BFEAHM
[O-]c1ccccc1/N=C/c1ccccc1O	ZINC000095551763	183299316	/nfs/dbraw/zinc/29/93/16/183299316.db2.gz	CHBGIQHEGBKNGA-NTEUORMPSA-N	-1	3	213.236	2.848	50	30		BFEAHM
O=C(C=C([O-])c1ccc(F)cc1)C(F)F	ZINC000101372120	387851001	/nfs/dbraw/zinc/85/10/01/387851001.db2.gz	CCZPHYNMHWWRLG-UITAMQMPSA-N	-1	3	216.158	2.715	50	30		BFEAHM
O=C(C=C([O-])C(F)F)c1ccc(F)cc1	ZINC000101372120	387851005	/nfs/dbraw/zinc/85/10/05/387851005.db2.gz	CCZPHYNMHWWRLG-UITAMQMPSA-N	-1	3	216.158	2.715	50	30		BFEAHM
C=C(C)C[C@@H](C)C(=O)N=c1[nH][n-]c(C(C)C)c1C	ZINC000585089952	487574386	/nfs/dbraw/zinc/57/43/86/487574386.db2.gz	PJNBYQGYIMNPJS-SNVBAGLBSA-N	-1	3	249.358	2.804	50	30		BFEAHM
CCc1nnc(/N=C/c2ccc([O-])cc2)s1	ZINC000000040348	172045638	/nfs/dbraw/zinc/04/56/38/172045638.db2.gz	BAVCKFQNSXDYSV-KPKJPENVSA-N	-1	3	233.296	2.557	50	30		BFEAHM
COc1ccc(C(=O)N([O-])c2ccccc2)cc1	ZINC000000267946	175054874	/nfs/dbraw/zinc/05/48/74/175054874.db2.gz	IMEJZBWBEXZVNP-UHFFFAOYSA-N	-1	3	243.262	2.731	50	30	biogenic	BFEAHM
COc1cccc2cc(/C(C)=N/[O-])oc21	ZINC000100316029	175306766	/nfs/dbraw/zinc/30/67/66/175306766.db2.gz	NAZNLQCRONMNFV-KPKJPENVSA-N	-1	3	205.213	2.640	50	30		BFEAHM
COc1ccccc1/N=C/c1ccc([O-])cc1O	ZINC000000227018	175315181	/nfs/dbraw/zinc/31/51/81/175315181.db2.gz	AHDFXYAZOIUGPF-OQLLNIDSSA-N	-1	3	243.262	2.857	50	30	biogenic	BFEAHM
COc1ccccc1/N=C/c1ccc(O)cc1[O-]	ZINC000000227018	175315183	/nfs/dbraw/zinc/31/51/83/175315183.db2.gz	AHDFXYAZOIUGPF-OQLLNIDSSA-N	-1	3	243.262	2.857	50	30	biogenic	BFEAHM
CCOc1cc(/C=N/[O-])cc(Cl)c1OCC	ZINC000011801034	342843504	/nfs/dbraw/zinc/84/35/04/342843504.db2.gz	SIJIYDWEUKZGFL-NTUHNPAUSA-N	-1	3	243.690	2.946	50	30		BFEAHM
C/C(=N\[O-])c1ccc(Br)cc1	ZINC000012362220	342850174	/nfs/dbraw/zinc/85/01/74/342850174.db2.gz	AWJKRPKYUKWTJX-UXBLZVDNSA-N	-1	3	214.062	2.647	50	30		BFEAHM
C=CCN[C@H](C)c1c([O-])cc(F)cc1F	ZINC000130728361	187286329	/nfs/dbraw/zinc/28/63/29/187286329.db2.gz	WLTVVEIXGLNYKF-SSDOTTSWSA-N	-1	3	213.227	2.507	50	30		BFEAHM
C[C@H](NCC1(C#N)CCC1)c1cc(F)ccc1[O-]	ZINC000585134888	344147471	/nfs/dbraw/zinc/14/74/71/344147471.db2.gz	OCYKQYDRVBCHKN-JTQLQIEISA-N	-1	3	248.301	2.876	50	30		BFEAHM
CCC(C)(C)C(=O)N([O-])Cc1ccccc1	ZINC000616570725	348071293	/nfs/dbraw/zinc/07/12/93/348071293.db2.gz	AVYVHIKSFXVDBG-UHFFFAOYSA-N	-1	3	221.300	2.841	50	30	in-vitro	BFEAHM
Cc1cccnc1/N=C/c1ccccc1[O-]	ZINC000013208099	179360090	/nfs/dbraw/zinc/36/00/90/179360090.db2.gz	PRFAPZNNQURZKR-OQLLNIDSSA-N	-1	3	212.252	2.846	50	30		BFEAHM
N#CC=C([O-])c1cc(F)c(F)cc1Cl	ZINC000002579821	181034004	/nfs/dbraw/zinc/03/40/04/181034004.db2.gz	HCJYLNKSHNGRII-UHFFFAOYSA-N	-1	3	215.586	2.715	50	30		BFEAHM
N#Cc1c2ccc([O-])cc2n2ccccc12	ZINC000000170277	181079005	/nfs/dbraw/zinc/07/90/05/181079005.db2.gz	OPRUTASSYAGEDI-UHFFFAOYSA-N	-1	3	208.220	2.670	50	30		BFEAHM
N#Cc1cccc(/N=C/c2ccc(O)cc2[O-])c1	ZINC000002131484	181134466	/nfs/dbraw/zinc/13/44/66/181134466.db2.gz	BTQGCXJRJSROBU-CXUHLZMHSA-N	-1	3	238.246	2.720	50	30		BFEAHM
N#Cc1cccc(/N=C/c2ccc([O-])cc2O)c1	ZINC000002131484	181134468	/nfs/dbraw/zinc/13/44/68/181134468.db2.gz	BTQGCXJRJSROBU-CXUHLZMHSA-N	-1	3	238.246	2.720	50	30		BFEAHM
O=C(N[O-])c1occc1CSc1ccccc1	ZINC000068577308	182280525	/nfs/dbraw/zinc/28/05/25/182280525.db2.gz	REGDFFNVRPSJHV-UHFFFAOYSA-N	-1	3	249.291	2.691	50	30		BFEAHM
[O-]c1ccc(/N=C/c2ccc(O)cc2)cc1	ZINC000000271726	183267681	/nfs/dbraw/zinc/26/76/81/183267681.db2.gz	LJMQHGKETUOVSG-NTEUORMPSA-N	-1	3	213.236	2.848	50	30		BFEAHM
O=C(/C=C/c1ccccc1[O-])c1cccnc1	ZINC000005716862	384128117	/nfs/dbraw/zinc/12/81/17/384128117.db2.gz	XTWJHAQBORZNOB-BQYQJAHWSA-N	-1	3	225.247	2.683	50	30		BFEAHM
N#Cc1ccc(OCc2ccccc2)cc1[O-]	ZINC000034559187	388611161	/nfs/dbraw/zinc/61/11/61/388611161.db2.gz	SZVJDJBGNPQFKF-UHFFFAOYSA-N	-1	3	225.247	2.843	50	30		BFEAHM
CCn1cc(/C=C/C(=O)c2cccc([O-])c2)cn1	ZINC000008485029	172150139	/nfs/dbraw/zinc/15/01/39/172150139.db2.gz	CUVASAGRKDKLLD-VOTSOKGWSA-N	-1	3	242.278	2.505	50	30		BFEAHM
COc1ccc2cc(/C=N/[O-])c(Cl)nc2c1	ZINC000013144502	175223473	/nfs/dbraw/zinc/22/34/73/175223473.db2.gz	HYFGDAUKBOBKEL-AWNIVKPZSA-N	-1	3	236.658	2.705	50	30		BFEAHM
C[C@@H](Oc1ccc(Cl)cc1Cl)/C(N)=N/[O-]	ZINC000004391737	176004048	/nfs/dbraw/zinc/00/40/48/176004048.db2.gz	KCEKHBDQRWJTKG-RXMQYKEDSA-N	-1	3	249.097	2.507	50	30		BFEAHM
[O-]N=Cc1cc2ccccc2nc1Cl	ZINC000254297148	527643387	/nfs/dbraw/zinc/64/33/87/527643387.db2.gz	KTZXCDZMISQMMF-UHFFFAOYSA-N	-1	3	206.632	2.696	50	30		BFEAHM
C=CCSc1nnc(-c2ccc([O-])cc2)o1	ZINC000004434191	398293824	/nfs/dbraw/zinc/29/38/24/398293824.db2.gz	LDXGQFKIVMRSFF-UHFFFAOYSA-N	-1	3	234.280	2.720	50	30		BFEAHM
CCOc1ccccc1[C@H]1CC(=O)C=C([O-])C1	ZINC000026475480	343105479	/nfs/dbraw/zinc/10/54/79/343105479.db2.gz	FGSUULBFIUGQEH-JTQLQIEISA-N	-1	3	232.279	2.974	50	30		BFEAHM
CCOc1ccccc1[C@@H]1CC(=O)C=C([O-])C1	ZINC000026475480	343105481	/nfs/dbraw/zinc/10/54/81/343105481.db2.gz	FGSUULBFIUGQEH-JTQLQIEISA-N	-1	3	232.279	2.974	50	30		BFEAHM
C=CCc1cc(C(=O)N2CCCCC2)ccc1[O-]	ZINC000000464715	343269875	/nfs/dbraw/zinc/26/98/75/343269875.db2.gz	HHLPDRCRRDEWEL-UHFFFAOYSA-N	-1	3	245.322	2.747	50	30	biogenic	BFEAHM
CCCCOc1ccc(C=N[O-])cc1OC	ZINC000250072127	345473709	/nfs/dbraw/zinc/47/37/09/345473709.db2.gz	RECLEGUQTFXNDS-UHFFFAOYSA-N	-1	3	223.272	2.682	50	30		BFEAHM
N#Cc1cccc(N=Cc2ccc(O)cc2[O-])c1	ZINC000252460118	363268389	/nfs/dbraw/zinc/26/83/89/363268389.db2.gz	BTQGCXJRJSROBU-UHFFFAOYSA-N	-1	3	238.246	2.720	50	30		BFEAHM
[O-]c1cccc(C=Nc2ccc(F)cc2)c1O	ZINC000252616155	364074172	/nfs/dbraw/zinc/07/41/72/364074172.db2.gz	JYBJIURXQOHXLI-UHFFFAOYSA-N	-1	3	231.226	2.988	50	30		BFEAHM
CC(C)(C)/N=C1\SC[C@@](C)(/C=N/[O-])S1	ZINC000013116113	371008007	/nfs/dbraw/zinc/00/80/07/371008007.db2.gz	VZXPRSDUKJLRAH-QKUGJZLMSA-N	-1	3	232.374	2.840	50	30		BFEAHM
[O-]c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1	ZINC000018067901	183267279	/nfs/dbraw/zinc/26/72/79/183267279.db2.gz	QRGWVTWDYKRYGR-OVCLIPMQSA-N	-1	3	241.246	2.872	50	30		BFEAHM
O=C(C=C([O-])c1ccc(F)cc1)C(F)F	ZINC000100496901	385081222	/nfs/dbraw/zinc/08/12/22/385081222.db2.gz	CCZPHYNMHWWRLG-WEVVVXLNSA-N	-1	3	216.158	2.715	50	30		BFEAHM
O=C(C=C([O-])C(F)F)c1ccc(F)cc1	ZINC000100496901	385081228	/nfs/dbraw/zinc/08/12/28/385081228.db2.gz	CCZPHYNMHWWRLG-WEVVVXLNSA-N	-1	3	216.158	2.715	50	30		BFEAHM
O=C(/C=C/c1cccc(O)c1)c1cccc([O-])c1	ZINC000008322405	388403435	/nfs/dbraw/zinc/40/34/35/388403435.db2.gz	UALHWTHYPDBXSN-BQYQJAHWSA-N	-1	3	240.258	2.994	50	30		BFEAHM
CCCCCCCC[C@H]1C[C@H]1C(=O)N[O-]	ZINC000098007384	520047078	/nfs/dbraw/zinc/04/70/78/520047078.db2.gz	WRPQMDNDRIIPNA-WDEREUQCSA-N	-1	3	213.321	2.879	50	30		BFEAHM
O=C(c1ccccc1)N([O-])Cc1ccccc1	ZINC000000344471	344714455	/nfs/dbraw/zinc/71/44/55/344714455.db2.gz	FFUKSOXPRSIBGT-UHFFFAOYSA-N	-1	3	227.263	2.718	50	30		BFEAHM
COc1ccc(N=Cc2cccc([O-])c2O)cc1	ZINC000252462674	345523278	/nfs/dbraw/zinc/52/32/78/345523278.db2.gz	VHFKMUWSCDRBOD-UHFFFAOYSA-N	-1	3	243.262	2.857	50	30		BFEAHM
Cc1csc(C(C#N)=C([O-])c2ccccc2)n1	ZINC000012699426	353169520	/nfs/dbraw/zinc/16/95/20/353169520.db2.gz	KBUCXYFVPUUOBK-NSHDSACASA-N	-1	3	242.303	2.942	50	30		BFEAHM
Cc1csc(C(C#N)=C([O-])c2ccccc2)n1	ZINC000012699430	353169605	/nfs/dbraw/zinc/16/96/05/353169605.db2.gz	KBUCXYFVPUUOBK-LLVKDONJSA-N	-1	3	242.303	2.942	50	30		BFEAHM
N#CC=C([O-])c1ccc(C(F)(F)F)cc1	ZINC000002579790	188100694	/nfs/dbraw/zinc/10/06/94/188100694.db2.gz	FSYIJSKUDBUEQZ-UHFFFAOYSA-N	-1	3	213.158	2.802	50	30		BFEAHM
CC(=O)C(Sc1nc(C)cc(C)n1)=C(C)[O-]	ZINC000012523629	188164575	/nfs/dbraw/zinc/16/45/75/188164575.db2.gz	BAESVUUGBNAMEJ-CSKARUKUSA-N	-1	3	238.312	2.564	50	30		BFEAHM
N#Cc1cccc(N=Cc2cccc([O-])c2O)c1	ZINC000252461231	363276093	/nfs/dbraw/zinc/27/60/93/363276093.db2.gz	LLZTUYOTUNPGML-UHFFFAOYSA-N	-1	3	238.246	2.720	50	30		BFEAHM
N#Cc1cc(Cc2ccccc2)ccc1[O-]	ZINC000030714706	181085514	/nfs/dbraw/zinc/08/55/14/181085514.db2.gz	IBNAMPJZARWKMS-UHFFFAOYSA-N	-1	3	209.248	2.855	50	30		BFEAHM
CCCCOc1ccc(/C(C)=N/[O-])c(O)c1	ZINC000005420477	355779074	/nfs/dbraw/zinc/77/90/74/355779074.db2.gz	OEXIASPJDBMJHB-UKTHLTGXSA-N	-1	3	223.272	2.769	50	30		BFEAHM
Cc1noc2c1C(=N[O-])C[C@@H](c1ccccc1)C2	ZINC000252597542	363982334	/nfs/dbraw/zinc/98/23/34/363982334.db2.gz	CSKVXKKYZIJVKB-LLVKDONJSA-N	-1	3	242.278	2.891	50	30		BFEAHM
O=C(N[O-])c1sc2ccccc2c1Cl	ZINC000000307965	182280449	/nfs/dbraw/zinc/28/04/49/182280449.db2.gz	HRXULFWGEYSULN-UHFFFAOYSA-N	-1	3	227.672	2.674	50	30	in-vitro	BFEAHM
[O-]c1ccc(/C=N/c2nccs2)cc1	ZINC000100310448	183267897	/nfs/dbraw/zinc/26/78/97/183267897.db2.gz	LEXABYIVSICYNZ-KPKJPENVSA-N	-1	3	204.254	2.599	50	30		BFEAHM
[O-]c1ccccc1/C=N\C[C@@H](O)c1ccccc1	ZINC000018118725	183299454	/nfs/dbraw/zinc/29/94/54/183299454.db2.gz	ZBCOAVKWIKRCFX-CCAPLTMGSA-N	-1	3	241.290	2.545	50	30		BFEAHM
N#CC=C([O-])c1cccc(Br)c1	ZINC000002579775	383978194	/nfs/dbraw/zinc/97/81/94/383978194.db2.gz	VBFNSHGLANEMRM-UHFFFAOYSA-N	-1	3	224.057	2.545	50	30		BFEAHM
[O-]/N=C/c1c[nH]nc1-c1ccc(Cl)cc1	ZINC000040457304	384155061	/nfs/dbraw/zinc/15/50/61/384155061.db2.gz	YTQVKWAXAMQQNU-AWNIVKPZSA-N	-1	3	221.647	2.538	50	30		BFEAHM
O=C(NC1CC1)c1cc(=S)[n-]c2ccccc21	ZINC000007779444	384186746	/nfs/dbraw/zinc/18/67/46/384186746.db2.gz	COBBOATVYIUJJC-UHFFFAOYSA-N	-1	3	244.319	2.991	50	30		BFEAHM
O=C(/C=C\c1ccccc1[O-])c1ccco1	ZINC000033248056	386024505	/nfs/dbraw/zinc/02/45/05/386024505.db2.gz	CTPZVSOXBBLRFZ-FPLPWBNLSA-N	-1	3	214.220	2.881	50	30		BFEAHM
[O-]c1cccc(C=Nn2cnc3ccccc32)c1	ZINC000254295588	388635051	/nfs/dbraw/zinc/63/50/51/388635051.db2.gz	PMPPDSAHZLUVHG-UHFFFAOYSA-N	-1	3	237.262	2.624	50	30		BFEAHM
COc1ccccc1-c1ccc(/C=N/[O-])o1	ZINC000100102075	175309215	/nfs/dbraw/zinc/30/92/15/175309215.db2.gz	UHXZYLPOMAITGU-MDWZMJQESA-N	-1	3	217.224	2.763	50	30		BFEAHM
CCCCCCCC[C@@H]1C[C@@H]1C(=O)N[O-]	ZINC000098007381	520047319	/nfs/dbraw/zinc/04/73/19/520047319.db2.gz	WRPQMDNDRIIPNA-MNOVXSKESA-N	-1	3	213.321	2.879	50	30		BFEAHM
[O-]c1ccccc1N=Cc1ccc2c(c1)OCO2	ZINC000254814204	526375502	/nfs/dbraw/zinc/37/55/02/526375502.db2.gz	BQRPHDGQSWTHRV-UHFFFAOYSA-N	-1	3	241.246	2.872	50	30		BFEAHM
[O-]/N=C(\Cl)c1ccc2ccccc2n1	ZINC001529596278	990357865	/nfs/dbraw/zinc/35/78/65/990357865.db2.gz	CVRZTNDBXSLHCB-RAXLEYEMSA-N	-1	3	206.632	2.609	50	30		BFEAHM
CCOc1c(Cl)cc(/C=N/[O-])cc1OC	ZINC000002656380	342726414	/nfs/dbraw/zinc/72/64/14/342726414.db2.gz	DXECFQXJPSKTDU-WUXMJOGZSA-N	-1	3	229.663	2.555	50	30		BFEAHM
O=C1c2cccc([O-])c2C/C1=C/c1cccnc1	ZINC000011335830	344201399	/nfs/dbraw/zinc/20/13/99/344201399.db2.gz	BYNQJLUOMIQJLM-XFFZJAGNSA-N	-1	3	237.258	2.610	50	30		BFEAHM
N#CC=C([O-])c1ccc(Br)cc1	ZINC000000251883	181034156	/nfs/dbraw/zinc/03/41/56/181034156.db2.gz	HSNWUXWZCSDJPL-UHFFFAOYSA-N	-1	3	224.057	2.545	50	30		BFEAHM
N#Cc1ccc2[nH]c(-c3cccc([O-])c3)nc2c1	ZINC000055255139	181130972	/nfs/dbraw/zinc/13/09/72/181130972.db2.gz	BFSYHSUNPZYCNZ-UHFFFAOYSA-N	-1	3	235.246	2.807	50	30		BFEAHM
C=CCC[C@H](OC(=O)c1ccc(C#N)[n-]1)C1CC1	ZINC000159507792	538877556	/nfs/dbraw/zinc/87/75/56/538877556.db2.gz	FFCRGSPBWLWTPQ-ZDUSSCGKSA-N	-1	3	244.294	2.788	50	30		BFEAHM
Cc1ccnc(N=Cc2ccccc2[O-])c1	ZINC000252635941	364666391	/nfs/dbraw/zinc/66/63/91/364666391.db2.gz	XCRFLWQHRLBXSU-UHFFFAOYSA-N	-1	3	212.252	2.846	50	30		BFEAHM
[O-]/N=C1/c2ccccc2-c2nc3ccccc3nc21	ZINC000012360522	384313422	/nfs/dbraw/zinc/31/34/22/384313422.db2.gz	SZHHSFHOIDCNLD-JXAWBTAJSA-N	-1	3	247.257	2.837	50	30		BFEAHM
CCCCCCCC[C@H]1C[C@@H]1C(=O)N[O-]	ZINC000098007382	384496073	/nfs/dbraw/zinc/49/60/73/384496073.db2.gz	WRPQMDNDRIIPNA-QWRGUYRKSA-N	-1	3	213.321	2.879	50	30		BFEAHM
O=C(/C=C/c1ccccc1[O-])c1ccncc1	ZINC000005277833	384990566	/nfs/dbraw/zinc/99/05/66/384990566.db2.gz	IGTKEFCIWDBWNQ-AATRIKPKSA-N	-1	3	225.247	2.683	50	30	biogenic	BFEAHM
O=C(/C=C\c1ccccc1[O-])c1ccncc1	ZINC000004566985	386131171	/nfs/dbraw/zinc/13/11/71/386131171.db2.gz	IGTKEFCIWDBWNQ-WAYWQWQTSA-N	-1	3	225.247	2.683	50	30		BFEAHM
C/C(=N/Cc1cccnc1)c1ccccc1[O-]	ZINC000012410290	387250810	/nfs/dbraw/zinc/25/08/10/387250810.db2.gz	QDFCFXZCZJZGFX-WJDWOHSUSA-N	-1	3	226.279	2.796	50	30		BFEAHM
N#CC=C([O-])c1ccc(F)c(Br)c1	ZINC000002579785	388469136	/nfs/dbraw/zinc/46/91/36/388469136.db2.gz	LDRVPDDDAYDBDI-UHFFFAOYSA-N	-1	3	242.047	2.685	50	30		BFEAHM
COc1ccc(/C(=N/O)c2ccccc2)c([O-])c1	ZINC000016512692	175045766	/nfs/dbraw/zinc/04/57/66/175045766.db2.gz	CGMYMXLVMLLWHC-CCEZHUSRSA-N	-1	3	243.262	2.627	50	30		BFEAHM
COc1ccc(/C(=N/[O-])c2ccccc2)c(O)c1	ZINC000016512692	175045767	/nfs/dbraw/zinc/04/57/67/175045767.db2.gz	CGMYMXLVMLLWHC-CCEZHUSRSA-N	-1	3	243.262	2.627	50	30		BFEAHM
O=[N+]([O-])c1ccc(/C=N/c2ccc([O-])cc2)o1	ZINC000000301305	642766717	/nfs/dbraw/zinc/76/67/17/642766717.db2.gz	WKCVUWQBJUEHLR-KPKJPENVSA-N	-1	3	232.195	2.644	50	30		BFEAHM
Cc1ccc(O)c(/C(=N/[O-])c2ccccc2)c1	ZINC000005541890	342765539	/nfs/dbraw/zinc/76/55/39/342765539.db2.gz	OFNQACPWWOTIFY-CCEZHUSRSA-N	-1	3	227.263	2.927	50	30		BFEAHM
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/[O-]	ZINC000018222882	180330773	/nfs/dbraw/zinc/33/07/73/180330773.db2.gz	FXCSSKUVKXTGJN-NTUHNPAUSA-N	-1	3	235.674	2.642	50	30		BFEAHM
C=CCc1cc2c(C)cc(=O)oc2c(C)c1[O-]	ZINC000004189792	187875036	/nfs/dbraw/zinc/87/50/36/187875036.db2.gz	ZDDBOIKRVOGUCB-UHFFFAOYSA-N	-1	3	230.263	2.844	50	30	biogenic	BFEAHM
N#CC=C([O-])c1ccccc1C(F)(F)F	ZINC000002579789	181034773	/nfs/dbraw/zinc/03/47/73/181034773.db2.gz	ULZOOHHGJMAKCY-UHFFFAOYSA-N	-1	3	213.158	2.802	50	30		BFEAHM
Cn1nc(-c2ccccc2)c(/C=N/[O-])c1Cl	ZINC000013136584	361238038	/nfs/dbraw/zinc/23/80/38/361238038.db2.gz	XESJWRWGYLJFJT-NTUHNPAUSA-N	-1	3	235.674	2.549	50	30		BFEAHM
O=C(N[O-])c1ccc(-c2ccc(Cl)cc2)o1	ZINC000226290097	182280511	/nfs/dbraw/zinc/28/05/11/182280511.db2.gz	YSTOHTQIBYANRV-UHFFFAOYSA-N	-1	3	237.642	2.719	50	30		BFEAHM
[O-]c1ccccc1/C=N/N=C/c1ccccc1O	ZINC000001587649	183300643	/nfs/dbraw/zinc/30/06/43/183300643.db2.gz	STOVYWBRBMYHPC-KAVGSWPWSA-N	-1	3	240.262	2.551	50	30	in-vitro	BFEAHM
[O-]c1ccccc1/C=N/C[C@H](O)c1ccccc1	ZINC000018276257	183300709	/nfs/dbraw/zinc/30/07/09/183300709.db2.gz	ZBCOAVKWIKRCFX-BMANGOCTSA-N	-1	3	241.290	2.545	50	30		BFEAHM
Cc1noc2c1/C(=N\[O-])C[C@@H](c1ccccc1)C2	ZINC000100319754	384276676	/nfs/dbraw/zinc/27/66/76/384276676.db2.gz	CSKVXKKYZIJVKB-DHVNXZJSSA-N	-1	3	242.278	2.891	50	30		BFEAHM
[O-]/N=C1\c2ccccc2N=C1c1ccccc1	ZINC000095470208	384378459	/nfs/dbraw/zinc/37/84/59/384378459.db2.gz	UNTADALETIMKJL-JQIJEIRASA-N	-1	3	222.247	2.999	50	30		BFEAHM
C=C1C(=O)c2ccccc2C([O-])=C1SC	ZINC000001693223	384437100	/nfs/dbraw/zinc/43/71/00/384437100.db2.gz	LQCRQSQHGKVTCR-UHFFFAOYSA-N	-1	3	218.277	2.703	50	30		BFEAHM
CC1(C)CC(=O)C(=Cc2ccc([O-])cc2)C(=O)C1	ZINC000019808732	384542022	/nfs/dbraw/zinc/54/20/22/384542022.db2.gz	KHSQDMOPOWMUJC-UHFFFAOYSA-N	-1	3	244.290	2.734	50	30		BFEAHM
N#Cc1ccc([O-])c(OCc2ccccc2)c1	ZINC000258609468	385006013	/nfs/dbraw/zinc/00/60/13/385006013.db2.gz	ZACGJZSNIGFUJL-UHFFFAOYSA-N	-1	3	225.247	2.843	50	30		BFEAHM
CC(=NN1CCCCC1)c1ccccc1[O-]	ZINC000254348405	388677653	/nfs/dbraw/zinc/67/76/53/388677653.db2.gz	FAZHJHBICIYFNX-UHFFFAOYSA-N	-1	3	218.300	2.602	50	30		BFEAHM
COc1ccc2nc(Cl)c(C=N[O-])cc2c1	ZINC000254400688	525666534	/nfs/dbraw/zinc/66/65/34/525666534.db2.gz	OEUJWQZDVAFKIL-UHFFFAOYSA-N	-1	3	236.658	2.705	50	30		BFEAHM
CCCc1noc2c1/C(=N\[O-])CC(C)(C)C2	ZINC000011549129	535566579	/nfs/dbraw/zinc/56/65/79/535566579.db2.gz	VRKGNIMYDDHFFF-LCYFTJDESA-N	-1	3	222.288	2.778	50	30		BFEAHM
O=C(CCC(F)(F)F)N([O-])Cc1ccccc1	ZINC000888096275	635372708	/nfs/dbraw/zinc/37/27/08/635372708.db2.gz	RLIQGNJHFWANOB-UHFFFAOYSA-N	-1	3	247.216	2.747	50	30		BFEAHM
COc1cc(/C=N/[O-])ccc1OCC(C)C	ZINC000003344976	342732788	/nfs/dbraw/zinc/73/27/88/342732788.db2.gz	TZXIOBICRQBXTQ-NTUHNPAUSA-N	-1	3	223.272	2.538	50	30		BFEAHM
Cc1cccc(Cl)c1[N-]C(=S)C#N	ZINC000000398679	179107522	/nfs/dbraw/zinc/10/75/22/179107522.db2.gz	RJMUXFMFTCIFLB-UHFFFAOYSA-N	-1	3	210.689	2.911	50	30		BFEAHM
C#C[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1	ZINC000076090884	362970468	/nfs/dbraw/zinc/97/04/68/362970468.db2.gz	ZYSLZSWCPKFVEJ-YFKPBYRVSA-N	-1	3	232.066	2.500	50	30		BFEAHM
N#Cc1ccc(Oc2ccc([O-])cc2)cc1C#N	ZINC000001067314	350999306	/nfs/dbraw/zinc/99/93/06/350999306.db2.gz	MIZUAXOBQGRUHO-UHFFFAOYSA-N	-1	3	236.230	2.928	50	30		BFEAHM
N#Cc1cnccc1/C=C/c1ccc([O-])cc1	ZINC000390835736	371240700	/nfs/dbraw/zinc/24/07/00/371240700.db2.gz	WMPXFDVNTDGPCL-DAFODLJHSA-N	-1	3	222.247	2.829	50	30		BFEAHM
[O-]c1ccccc1/C=N/C[C@@H](O)c1ccccc1	ZINC000100007815	183299269	/nfs/dbraw/zinc/29/92/69/183299269.db2.gz	ZBCOAVKWIKRCFX-VGVSSDJJSA-N	-1	3	241.290	2.545	50	30		BFEAHM
[O-]c1ccccc1/C=N/N=C/c1ccccc1	ZINC000002227861	183299820	/nfs/dbraw/zinc/29/98/20/183299820.db2.gz	GUVKXRKDJAEWRO-RWPWKDLBSA-N	-1	3	224.263	2.845	50	30		BFEAHM
O=C(C=C([O-])C=Cc1cccs1)C(F)(F)F	ZINC000100054909	384612820	/nfs/dbraw/zinc/61/28/20/384612820.db2.gz	PTSWPTBHUGSXSK-ONEGZZNKSA-N	-1	3	248.225	2.852	50	30		BFEAHM
CC1=NN([C@H](C#N)c2ccccc2[O-])C(C)(C)C1	ZINC000000313049	168133226	/nfs/dbraw/zinc/13/32/26/168133226.db2.gz	UYJAFPWGKKJXSX-GFCCVEGCSA-N	-1	3	243.310	2.817	50	30		BFEAHM
CCn1cc(/C=C\C(=O)c2cccc([O-])c2)cn1	ZINC000006637035	172149842	/nfs/dbraw/zinc/14/98/42/172149842.db2.gz	CUVASAGRKDKLLD-SREVYHEPSA-N	-1	3	242.278	2.505	50	30		BFEAHM
[O-]c1ccccc1N=Cc1ccccc1O	ZINC000254526652	526369956	/nfs/dbraw/zinc/36/99/56/526369956.db2.gz	CHBGIQHEGBKNGA-UHFFFAOYSA-N	-1	3	213.236	2.848	50	30		BFEAHM
O=C1c2cccc([O-])c2C/C1=C\c1cccnc1	ZINC000098054181	527125565	/nfs/dbraw/zinc/12/55/65/527125565.db2.gz	BYNQJLUOMIQJLM-YRNVUSSQSA-N	-1	3	237.258	2.610	50	30		BFEAHM
CC1(C)CCc2cc(/C=N/[O-])ccc2O1	ZINC000000149301	342677031	/nfs/dbraw/zinc/67/70/31/342677031.db2.gz	GNEGJQKUNAXLPY-MDWZMJQESA-N	-1	3	205.257	2.598	50	30		BFEAHM
C/C(=N\OC(=O)c1ccco1)c1ccccc1[O-]	ZINC000001048245	342696088	/nfs/dbraw/zinc/69/60/88/342696088.db2.gz	LALHKVYFRZXOKD-NTEUORMPSA-N	-1	3	245.234	2.566	50	30		BFEAHM
CCOc1ccc(/C=N/[O-])cc1Br	ZINC000016692120	342914252	/nfs/dbraw/zinc/91/42/52/342914252.db2.gz	DADXKRGJXABYHA-IZZDOVSWSA-N	-1	3	244.088	2.656	50	30		BFEAHM
CCOc1cc(C=N[O-])cc(Cl)c1OC	ZINC000250386808	345481819	/nfs/dbraw/zinc/48/18/19/345481819.db2.gz	KSIQIJQOBJLICW-UHFFFAOYSA-N	-1	3	229.663	2.555	50	30		BFEAHM
Cc1sc([N-]C(=O)C(F)(F)F)c(C#N)c1C	ZINC000000483760	346719491	/nfs/dbraw/zinc/71/94/91/346719491.db2.gz	URRMUKNSIRBQNS-UHFFFAOYSA-N	-1	3	248.229	2.737	50	30		BFEAHM
CCOc1cc(C=N[O-])cc(Cl)c1OCC	ZINC000250404542	362803870	/nfs/dbraw/zinc/80/38/70/362803870.db2.gz	SIJIYDWEUKZGFL-UHFFFAOYSA-N	-1	3	243.690	2.946	50	30		BFEAHM
CC(=NNc1ccccc1)c1ccc(O)cc1[O-]	ZINC000015045725	187391303	/nfs/dbraw/zinc/39/13/03/187391303.db2.gz	PRASTCBVKOOZPU-XNTDXEJSSA-N	-1	3	242.278	2.934	50	30		BFEAHM
Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2	ZINC000005390713	348816568	/nfs/dbraw/zinc/81/65/68/348816568.db2.gz	NPAJCGAJYRKEKV-GHXNOFRVSA-N	-1	3	242.230	2.910	50	30		BFEAHM
Cc1nc(-c2ccccc2)c(C#N)c(=S)[n-]1	ZINC000033847395	180028751	/nfs/dbraw/zinc/02/87/51/180028751.db2.gz	XZABCLSHFJAYMO-UHFFFAOYSA-N	-1	3	227.292	2.612	50	30		BFEAHM
O=C(C[C@H]1C=CCCC1)NCc1ncccc1[O-]	ZINC000329913952	356143058	/nfs/dbraw/zinc/14/30/58/356143058.db2.gz	CDQXABCSYSTFFY-NSHDSACASA-N	-1	3	246.310	2.990	50	30		BFEAHM
CC/C(=N\[O-])c1ccc(OCC(F)F)cc1	ZINC000037756077	384010965	/nfs/dbraw/zinc/01/09/65/384010965.db2.gz	XQAUFEIVDNSZBS-GXDHUFHOSA-N	-1	3	229.226	2.919	50	30		BFEAHM
Cc1noc2c1/C(=N\[O-])C[C@H](c1ccccc1)C2	ZINC000100319758	384277141	/nfs/dbraw/zinc/27/71/41/384277141.db2.gz	CSKVXKKYZIJVKB-HTEPKEGRSA-N	-1	3	242.278	2.891	50	30		BFEAHM
CC(=O)Nc1nnc(SCc2ccccc2)[n-]1	ZINC000009926588	384265153	/nfs/dbraw/zinc/26/51/53/384265153.db2.gz	LXENCKAYEWZLFJ-UHFFFAOYSA-N	-1	3	248.311	2.705	50	30		BFEAHM
CC(=O)Nc1nc(SCc2ccccc2)n[n-]1	ZINC000009926588	384265162	/nfs/dbraw/zinc/26/51/62/384265162.db2.gz	LXENCKAYEWZLFJ-UHFFFAOYSA-N	-1	3	248.311	2.705	50	30		BFEAHM
CC(=O)Nc1n[n-]c(SCc2ccccc2)n1	ZINC000009926588	384265165	/nfs/dbraw/zinc/26/51/65/384265165.db2.gz	LXENCKAYEWZLFJ-UHFFFAOYSA-N	-1	3	248.311	2.705	50	30		BFEAHM
[O-]/N=C/c1cc2ccccc2nc1Cl	ZINC000100007492	384608648	/nfs/dbraw/zinc/60/86/48/384608648.db2.gz	KTZXCDZMISQMMF-WUXMJOGZSA-N	-1	3	206.632	2.696	50	30		BFEAHM
C=CCOc1ccc(/C=N/[O-])cc1Cl	ZINC000100903136	384659441	/nfs/dbraw/zinc/65/94/41/384659441.db2.gz	PVVYXFJRXJOEIM-KPKJPENVSA-N	-1	3	211.648	2.713	50	30		BFEAHM
[O-]/N=C(\c1ccccc1)c1ccccc1O	ZINC000006863881	385175375	/nfs/dbraw/zinc/17/53/75/385175375.db2.gz	HZXQKZWVTDAZAE-BUHFOSPRSA-N	-1	3	213.236	2.619	50	30		BFEAHM
O=C(/C=C/c1ccccc1[O-])c1ccccn1	ZINC000025664440	397930968	/nfs/dbraw/zinc/93/09/68/397930968.db2.gz	JKTCHMQMVYEGAI-CMDGGOBGSA-N	-1	3	225.247	2.683	50	30		BFEAHM
N#Cc1cnccc1/C=C\c1ccc([O-])cc1	ZINC000556779023	322923208	/nfs/dbraw/zinc/92/32/08/322923208.db2.gz	WMPXFDVNTDGPCL-RJRFIUFISA-N	-1	3	222.247	2.829	50	30		BFEAHM
COc1ccc(/C=N/[O-])cc1OC1CCCC1	ZINC000000170856	175049312	/nfs/dbraw/zinc/04/93/12/175049312.db2.gz	YQQKXLPORQRQOR-NTEUORMPSA-N	-1	3	235.283	2.825	50	30		BFEAHM
COc1cccc(/N=C/c2ccc([O-])cc2O)c1	ZINC000013130591	175241801	/nfs/dbraw/zinc/24/18/01/175241801.db2.gz	NKYUKROTGDGGHB-OQLLNIDSSA-N	-1	3	243.262	2.857	50	30	biogenic	BFEAHM
COc1cccc(/N=C/c2ccc(O)cc2[O-])c1	ZINC000013130591	175241802	/nfs/dbraw/zinc/24/18/02/175241802.db2.gz	NKYUKROTGDGGHB-OQLLNIDSSA-N	-1	3	243.262	2.857	50	30	biogenic	BFEAHM
COc1ccccc1/N=C/c1cccc([O-])c1O	ZINC000000282588	175315420	/nfs/dbraw/zinc/31/54/20/175315420.db2.gz	HRFPXUIJDISUIP-OQLLNIDSSA-N	-1	3	243.262	2.857	50	30		BFEAHM
CC(=N[O-])c1ccccc1Br	ZINC000242463888	519351522	/nfs/dbraw/zinc/35/15/22/519351522.db2.gz	DPLPRQURUMMJQY-UHFFFAOYSA-N	-1	3	214.062	2.647	50	30		BFEAHM
[O-]N=C1c2ccccc2N=C1c1ccccc1	ZINC000252629790	527642911	/nfs/dbraw/zinc/64/29/11/527642911.db2.gz	UNTADALETIMKJL-UHFFFAOYSA-N	-1	3	222.247	2.999	50	30		BFEAHM
CC(=N[O-])c1ccc(OCC(F)(F)F)cc1	ZINC000308899624	342875885	/nfs/dbraw/zinc/87/58/85/342875885.db2.gz	CZIHLFVRBJNLMU-UHFFFAOYSA-N	-1	3	233.189	2.826	50	30		BFEAHM
CCn1nccc1/C=C\C(=O)c1cccc([O-])c1	ZINC000071785186	343348777	/nfs/dbraw/zinc/34/87/77/343348777.db2.gz	YEDNJVCDURGGGA-SREVYHEPSA-N	-1	3	242.278	2.505	50	30		BFEAHM
C#C[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1	ZINC000076090887	538110002	/nfs/dbraw/zinc/11/00/02/538110002.db2.gz	ZYSLZSWCPKFVEJ-RXMQYKEDSA-N	-1	3	232.066	2.500	50	30		BFEAHM
C=CCNc1nc(-c2ccc(O)cc2[O-])cs1	ZINC000012583403	188224991	/nfs/dbraw/zinc/22/49/91/188224991.db2.gz	TVMUVYMSHYLDBX-UHFFFAOYSA-N	-1	3	248.307	2.819	50	30		BFEAHM
CCN1c2cc([O-])ccc2S/C1=C\C(C)=O	ZINC000058626729	353415490	/nfs/dbraw/zinc/41/54/90/353415490.db2.gz	GCSZJMUFYOAHFY-SDQBBNPISA-N	-1	3	235.308	2.755	50	30	in-vitro	BFEAHM
N#CC=C([O-])c1ccccc1OC(F)(F)F	ZINC000016159901	181034840	/nfs/dbraw/zinc/03/48/40/181034840.db2.gz	OQOKGOUOTDCESI-UHFFFAOYSA-N	-1	3	229.157	2.682	50	30		BFEAHM
CC(C)c1csc2[n-]cc(C#N)c(=O)c21	ZINC000096663760	383860052	/nfs/dbraw/zinc/86/00/52/383860052.db2.gz	VRORHWIWYSBKBP-UHFFFAOYSA-N	-1	3	218.281	2.585	50	30		BFEAHM
C/C(=N\[O-])c1ccc(OCC(F)(F)F)cc1	ZINC000019809156	384541737	/nfs/dbraw/zinc/54/17/37/384541737.db2.gz	CZIHLFVRBJNLMU-VGOFMYFVSA-N	-1	3	233.189	2.826	50	30		BFEAHM
C/C(=N/[O-])c1cccc(Br)c1	ZINC000100067371	384614747	/nfs/dbraw/zinc/61/47/47/384614747.db2.gz	TUEQLTCSWQPJIV-POHAHGRESA-N	-1	3	214.062	2.647	50	30		BFEAHM
CSc1sc(C#N)c2c1/C(=N\[O-])CCC2	ZINC000100218275	384623986	/nfs/dbraw/zinc/62/39/86/384623986.db2.gz	WIQZCEPROSNXQA-GHXNOFRVSA-N	-1	3	238.337	2.856	50	30		BFEAHM
CC12C[C@H]3C[C@@H](C1)CC(C(/C=N/[O-])=N/O)(C3)C2	ZINC000012341674	385901356	/nfs/dbraw/zinc/90/13/56/385901356.db2.gz	SRKGMMGPXWMXFH-IMNGKVSUSA-N	-1	3	236.315	2.883	50	30		BFEAHM
Cc1cc2c(c([O-])c1)C(=O)/C(=C/c1ccco1)O2	ZINC000011865217	178196745	/nfs/dbraw/zinc/19/67/45/178196745.db2.gz	JRSSDMMQUZHCPG-GHXNOFRVSA-N	-1	3	242.230	2.910	50	30		BFEAHM
C/C(=N/[O-])c1sc(-c2cccnc2)nc1C	ZINC000100067325	188158153	/nfs/dbraw/zinc/15/81/53/188158153.db2.gz	YTEVUTZEIWDRKG-ZSOIEALJSA-N	-1	3	233.296	2.712	50	30		BFEAHM
N#CC=C([O-])c1c[nH]c2cccc(Cl)c12	ZINC000036047695	181033872	/nfs/dbraw/zinc/03/38/72/181033872.db2.gz	DNVRCOYPRROSOF-UHFFFAOYSA-N	-1	3	218.643	2.918	50	30		BFEAHM
N#CC=C([O-])c1c[nH]c2cc(Cl)ccc12	ZINC000026461904	181034093	/nfs/dbraw/zinc/03/40/93/181034093.db2.gz	IVZYBUVHLPUYDV-UHFFFAOYSA-N	-1	3	218.643	2.918	50	30		BFEAHM
COc1ccc(C=Nc2ccc([O-])cc2)cc1O	ZINC000252462967	363280116	/nfs/dbraw/zinc/28/01/16/363280116.db2.gz	XVGMUPQFDSWEHS-UHFFFAOYSA-N	-1	3	243.262	2.857	50	30		BFEAHM
N#Cc1cc(-c2ccc(O)cc2)ccc1[O-]	ZINC000065341293	181080649	/nfs/dbraw/zinc/08/06/49/181080649.db2.gz	HGZAAWVCEKXGEB-UHFFFAOYSA-N	-1	3	211.220	2.636	50	30		BFEAHM
[O-]c1ccc(Cl)cc1C=NOCC1CC1	ZINC000252630102	358217741	/nfs/dbraw/zinc/21/77/41/358217741.db2.gz	UUOHJBPQWKELQL-UHFFFAOYSA-N	-1	3	225.675	2.806	50	30		BFEAHM
[O-]c1ccc(/C=N/c2ccc(F)cc2)c(O)c1	ZINC000000310796	183267162	/nfs/dbraw/zinc/26/71/62/183267162.db2.gz	BUAFEGWQPALQRE-OVCLIPMQSA-N	-1	3	231.226	2.988	50	30		BFEAHM
[O-]c1cc(O)ccc1/C=N/c1ccc(F)cc1	ZINC000000310796	183267163	/nfs/dbraw/zinc/26/71/63/183267163.db2.gz	BUAFEGWQPALQRE-OVCLIPMQSA-N	-1	3	231.226	2.988	50	30		BFEAHM
[O-]c1ccc(/N=C/c2ccccc2O)cc1	ZINC000013302596	183267559	/nfs/dbraw/zinc/26/75/59/183267559.db2.gz	POLJRSQMPKDDIY-NTEUORMPSA-N	-1	3	213.236	2.848	50	30		BFEAHM
[O-]c1ccccc1/C=N/c1nccs1	ZINC000017889496	183300601	/nfs/dbraw/zinc/30/06/01/183300601.db2.gz	JLXKDXBSISPXJW-KPKJPENVSA-N	-1	3	204.254	2.599	50	30		BFEAHM
O=C([O-])CCCN=C1CCCc2ccccc2N1	ZINC000001901154	383941566	/nfs/dbraw/zinc/94/15/66/383941566.db2.gz	CWCMOJCXPIFZMG-UHFFFAOYSA-N	-1	3	246.310	2.698	50	30	biogenic	BFEAHM
C=CCOc1ccc(/C(CC)=N/[O-])cc1OC	ZINC000013153820	384348716	/nfs/dbraw/zinc/34/87/16/384348716.db2.gz	DRFVIOAEJXHUGJ-SDNWHVSQSA-N	-1	3	235.283	2.848	50	30		BFEAHM
CCOc1ccccc1[C@@H]1CC(=O)C=C([O-])C1	ZINC000095093692	384363258	/nfs/dbraw/zinc/36/32/58/384363258.db2.gz	FGSUULBFIUGQEH-SNVBAGLBSA-N	-1	3	232.279	2.974	50	30		BFEAHM
CCOc1ccccc1[C@H]1CC(=O)C=C([O-])C1	ZINC000095093692	384363263	/nfs/dbraw/zinc/36/32/63/384363263.db2.gz	FGSUULBFIUGQEH-SNVBAGLBSA-N	-1	3	232.279	2.974	50	30		BFEAHM
C/C(=N\[O-])c1cccc(Br)c1	ZINC000015919719	384444786	/nfs/dbraw/zinc/44/47/86/384444786.db2.gz	TUEQLTCSWQPJIV-UXBLZVDNSA-N	-1	3	214.062	2.647	50	30		BFEAHM
O=C(C=C([O-])C=Cc1ccccc1)C(F)(F)F	ZINC000100021038	384608234	/nfs/dbraw/zinc/60/82/34/384608234.db2.gz	CSOPVKUECMSWBR-VOTSOKGWSA-N	-1	3	242.196	2.790	50	30		BFEAHM
[O-]N=C1CCCc2ncc(C(F)(F)F)cc21	ZINC000254300715	388635531	/nfs/dbraw/zinc/63/55/31/388635531.db2.gz	KRLJOMBKYBILMA-UHFFFAOYSA-N	-1	3	230.189	2.615	50	30		BFEAHM
O=C(/C=C\c1cccc(O)c1)c1cccc([O-])c1	ZINC000096305147	388814230	/nfs/dbraw/zinc/81/42/30/388814230.db2.gz	UALHWTHYPDBXSN-FPLPWBNLSA-N	-1	3	240.258	2.994	50	30		BFEAHM
Cc1cc(N=Cc2ccc(C)cc2[O-])no1	ZINC000254487679	388781415	/nfs/dbraw/zinc/78/14/15/388781415.db2.gz	RJMNIPYDHNRBIH-UHFFFAOYSA-N	-1	3	216.240	2.748	50	30		BFEAHM
COc1cc(/C=N/c2ccc([O-])cc2)ccc1O	ZINC000000364996	174941451	/nfs/dbraw/zinc/94/14/51/174941451.db2.gz	CYURFQSFRRXJCU-OQLLNIDSSA-N	-1	3	243.262	2.857	50	30		BFEAHM
COc1ccc(/C=N/c2ccc([O-])cc2)cc1O	ZINC000000062893	175048848	/nfs/dbraw/zinc/04/88/48/175048848.db2.gz	XVGMUPQFDSWEHS-OQLLNIDSSA-N	-1	3	243.262	2.857	50	30		BFEAHM
COc1ccc(/N=C/c2cccc([O-])c2O)cc1	ZINC000000293368	175049932	/nfs/dbraw/zinc/04/99/32/175049932.db2.gz	VHFKMUWSCDRBOD-OQLLNIDSSA-N	-1	3	243.262	2.857	50	30		BFEAHM
Cc1ccc(/C(=N/O)c2ccc(O)cc2[O-])cc1	ZINC000032634058	178350645	/nfs/dbraw/zinc/35/06/45/178350645.db2.gz	YCFHSZHYBXLZKT-PFONDFGASA-N	-1	3	243.262	2.633	50	30		BFEAHM
C/C(=N/[O-])c1ccc(OCc2cccnc2)cc1	ZINC000019517576	188461960	/nfs/dbraw/zinc/46/19/60/188461960.db2.gz	QPEKYMOYDZAFJD-WJDWOHSUSA-N	-1	3	242.278	2.859	50	30		BFEAHM
N#Cc1cccc(C(=O)Nc2ccccc2[O-])c1	ZINC000012908046	181135487	/nfs/dbraw/zinc/13/54/87/181135487.db2.gz	QEQMZJRSLPADPE-UHFFFAOYSA-N	-1	3	238.246	2.516	50	30		BFEAHM
[O-]c1ccc(/N=C/c2ccc(O)cc2O)cc1	ZINC000000587871	183267303	/nfs/dbraw/zinc/26/73/03/183267303.db2.gz	OXKHCZODIOUJKP-RIYZIHGNSA-N	-1	3	229.235	2.554	50	30		BFEAHM
[O-]c1cccc(/N=C/c2ccccc2O)c1	ZINC000012494703	183288374	/nfs/dbraw/zinc/28/83/74/183288374.db2.gz	UALRWOGQNILXLJ-NTEUORMPSA-N	-1	3	213.236	2.848	50	30		BFEAHM
N#Cc1ccc(/N=C/c2cccc([O-])c2O)cc1	ZINC000000292105	383851496	/nfs/dbraw/zinc/85/14/96/383851496.db2.gz	WBKRRJCLHBGPOH-CXUHLZMHSA-N	-1	3	238.246	2.720	50	30		BFEAHM
N#Cc1ccc(/N=C/c2cccc(O)c2[O-])cc1	ZINC000000292105	383851500	/nfs/dbraw/zinc/85/15/00/383851500.db2.gz	WBKRRJCLHBGPOH-CXUHLZMHSA-N	-1	3	238.246	2.720	50	30		BFEAHM
CCCCCCCCNc1nc([O-])cs1	ZINC000008829618	384221778	/nfs/dbraw/zinc/22/17/78/384221778.db2.gz	DCWBBSPAQFGMAZ-UHFFFAOYSA-N	-1	3	228.361	2.566	50	30		BFEAHM
[O-]/N=C/C1=C(Cl)c2cc(F)ccc2OC1	ZINC000000107757	384265044	/nfs/dbraw/zinc/26/50/44/384265044.db2.gz	UNEXUKHJXPLESF-YIXHJXPBSA-N	-1	3	227.622	2.628	50	30		BFEAHM
[O-]/N=C/c1ccnc(SCc2ccccc2)n1	ZINC000013122819	384349274	/nfs/dbraw/zinc/34/92/74/384349274.db2.gz	SKCYJOXCCAQCBI-RIYZIHGNSA-N	-1	3	245.307	2.577	50	30		BFEAHM
C[C@H](Oc1ccc(Cl)cc1Cl)/C(N)=N/[O-]	ZINC000004391736	177022689	/nfs/dbraw/zinc/02/26/89/177022689.db2.gz	KCEKHBDQRWJTKG-YFKPBYRVSA-N	-1	3	249.097	2.507	50	30		BFEAHM